smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1CNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1 ZINC000008623838 291255865 /nfs/dbraw/zinc/25/58/65/291255865.db2.gz MLRVHARWZWXJNF-FPOVZHCZSA-N 1 0 419.525 3.825 40 0 biogenic,in-vitro HHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)NC1CCCCC1 ZINC000015673563 291258904 /nfs/dbraw/zinc/25/89/04/291258904.db2.gz ASTPKPFMDZMENQ-OALUTQOASA-N 1 0 411.546 3.861 40 0 biogenic,in-vitro HHABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012291590 132357994 /nfs/dbraw/zinc/35/79/94/132357994.db2.gz XKYCCACLFGANQS-XMMPIXPASA-N 1 0 422.569 3.701 40 0 HHABRO COCC(=O)N1CCc2c3ccccc3[nH]c2C12CC[NH+](Cc1ccccc1)CC2 ZINC000072325649 522754330 /nfs/dbraw/zinc/75/43/30/522754330.db2.gz RDPVNTUVCDCABF-UHFFFAOYSA-N 1 0 403.526 3.690 40 0 HHABRO COCCNc1cc(C2CC[NH+](Cc3ccccc3F)CC2)nc(-c2cnccn2)n1 ZINC000072351950 523962662 /nfs/dbraw/zinc/96/26/62/523962662.db2.gz WLGLCCRHUFXIAK-UHFFFAOYSA-N 1 0 422.508 3.511 40 0 HHABRO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(OC)c1OC ZINC000044882876 524066405 /nfs/dbraw/zinc/06/64/05/524066405.db2.gz XQJOWYNARHYRON-QGZVFWFLSA-N 1 0 412.530 3.874 40 0 HHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000225731349 525211287 /nfs/dbraw/zinc/21/12/87/525211287.db2.gz CWPFMKHOJGCRDU-RTBURBONSA-N 1 0 416.635 3.967 40 0 HHABRO Cc1nc(C2CC[NH+](CC3CC3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019739405 558260521 /nfs/dbraw/zinc/26/05/21/558260521.db2.gz DABPKAPUATYPQD-UHFFFAOYSA-N 1 0 408.521 3.993 40 0 HHABRO CC(C)S(=O)(=O)N1CCC(c2[nH+]c3ccc(F)cn3c2NC2CCCC2)CC1 ZINC000012127948 558331547 /nfs/dbraw/zinc/33/15/47/558331547.db2.gz CMVICKNPVKXUMP-UHFFFAOYSA-N 1 0 408.543 3.746 40 0 HHABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000012182155 558343218 /nfs/dbraw/zinc/34/32/18/558343218.db2.gz VVOUDYGERREZBV-ICSRJNTNSA-N 1 0 418.541 3.556 40 0 HHABRO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000020228382 558349613 /nfs/dbraw/zinc/34/96/13/558349613.db2.gz BOQDMGUQOSUKGY-UHFFFAOYSA-N 1 0 422.928 3.879 40 0 HHABRO CC(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cc1 ZINC000012220483 558355508 /nfs/dbraw/zinc/35/55/08/558355508.db2.gz TYPZTUAFZBPTFC-OFFJZUQKSA-N 1 0 407.558 3.802 40 0 HHABRO COc1ccc(CCC[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)cc1OC ZINC000012224246 558356787 /nfs/dbraw/zinc/35/67/87/558356787.db2.gz QMXOZKOVQZDIDY-UHFFFAOYSA-N 1 0 403.486 3.531 40 0 HHABRO CC(=O)Nc1nc(C(=O)Nc2ccc(CC[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cs1 ZINC000012241252 558360410 /nfs/dbraw/zinc/36/04/10/558360410.db2.gz ZTFICEHYFQIFFE-YOEHRIQHSA-N 1 0 400.548 3.874 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cc1Cn1cccn1 ZINC000012251857 558362498 /nfs/dbraw/zinc/36/24/98/558362498.db2.gz IXPSJKBAGQGLFI-XMMPIXPASA-N 1 0 409.505 3.953 40 0 HHABRO COc1ccccc1C1([NH2+]Cc2ccccc2OCCN2CCOCC2)CCCC1 ZINC000012292904 558365900 /nfs/dbraw/zinc/36/59/00/558365900.db2.gz BROBDYUBDUYDLW-UHFFFAOYSA-N 1 0 410.558 3.965 40 0 HHABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293682 558366995 /nfs/dbraw/zinc/36/69/95/558366995.db2.gz UWPPSFUFJORMIT-RTWAWAEBSA-N 1 0 401.478 3.609 40 0 HHABRO COc1ccc2[nH]c(C)c([C@@H](O)C[NH+]3CCC4(CC3)C[C@@H](O)c3ccccc3O4)c2c1 ZINC000012329186 558383815 /nfs/dbraw/zinc/38/38/15/558383815.db2.gz UBGJGDAUHGIRSY-YADHBBJMSA-N 1 0 422.525 3.869 40 0 HHABRO COc1ccc2cc(C[NH+]3CCC(O)(c4ccccc4OC)CC3)c(OC)nc2c1 ZINC000012330643 558385436 /nfs/dbraw/zinc/38/54/36/558385436.db2.gz FTHQHRQSFZTZGY-UHFFFAOYSA-N 1 0 408.498 3.744 40 0 HHABRO CCOc1ccc(C[NH+]2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)cc1OC ZINC000012407956 558398904 /nfs/dbraw/zinc/39/89/04/558398904.db2.gz JUUDHWKBHZUKSB-UHFFFAOYSA-N 1 0 410.474 3.624 40 0 HHABRO O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014786 558836801 /nfs/dbraw/zinc/83/68/01/558836801.db2.gz SDZPFXKSEVZQKX-NRFANRHFSA-N 1 0 412.578 3.562 40 0 HHABRO Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)C[N@H+]3CCCC[C@H]3C)cc2)on1 ZINC000019123871 558844218 /nfs/dbraw/zinc/84/42/18/558844218.db2.gz SYYSUKNHAGFQOR-QGZVFWFLSA-N 1 0 419.529 3.906 40 0 HHABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019236849 558856019 /nfs/dbraw/zinc/85/60/19/558856019.db2.gz AHTVFMABRZJUCG-OFNKIYASSA-N 1 0 403.530 3.507 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400595 558883193 /nfs/dbraw/zinc/88/31/93/558883193.db2.gz HOILGRASXBMNSQ-WMZHIEFXSA-N 1 0 404.489 3.999 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400593 558883227 /nfs/dbraw/zinc/88/32/27/558883227.db2.gz HOILGRASXBMNSQ-AUSIDOKSSA-N 1 0 404.489 3.999 40 0 HHABRO O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]21 ZINC000019401843 558883842 /nfs/dbraw/zinc/88/38/42/558883842.db2.gz QIMIYVCLJKQESC-CQOQZXRMSA-N 1 0 416.500 3.746 40 0 HHABRO CCCN1CC[N@H+](CC2=CCCOC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502823 558900080 /nfs/dbraw/zinc/90/00/80/558900080.db2.gz LAXYPKJJKOTZIL-RUZDIDTESA-N 1 0 419.569 3.808 40 0 HHABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530041 558911206 /nfs/dbraw/zinc/91/12/06/558911206.db2.gz ORMQXLNTCVDJJK-YADARESESA-N 1 0 412.530 3.874 40 0 HHABRO COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000019553970 558916977 /nfs/dbraw/zinc/91/69/77/558916977.db2.gz JAKOLGSQPJGUKP-RPWUZVMVSA-N 1 0 416.525 3.730 40 0 HHABRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2cc(C(=O)N3CCC(C)CC3)on2)C1 ZINC000019554943 558917957 /nfs/dbraw/zinc/91/79/57/558917957.db2.gz GTAWQKXIXHSXNX-IBGZPJMESA-N 1 0 421.545 3.882 40 0 HHABRO COc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000019563119 558923462 /nfs/dbraw/zinc/92/34/62/558923462.db2.gz NRPMOWKOMQUZTR-VXKWHMMOSA-N 1 0 408.498 3.561 40 0 HHABRO Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C(C)C)C2 ZINC000019566142 558925896 /nfs/dbraw/zinc/92/58/96/558925896.db2.gz JWLJACTWYDNKSJ-LJQANCHMSA-N 1 0 420.513 3.981 40 0 HHABRO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019579583 558935172 /nfs/dbraw/zinc/93/51/72/558935172.db2.gz XXOGYSOIYFLBDU-XMMPIXPASA-N 1 0 404.514 3.650 40 0 HHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000019591721 558942391 /nfs/dbraw/zinc/94/23/91/558942391.db2.gz IJKMWFVYSOHXAA-SANMLTNESA-N 1 0 415.537 3.938 40 0 HHABRO COCC[N@@H+]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000019593390 558944377 /nfs/dbraw/zinc/94/43/77/558944377.db2.gz UGTHWAVUURTEBN-QFIPXVFZSA-N 1 0 412.505 3.520 40 0 HHABRO COCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 ZINC000019593714 558944780 /nfs/dbraw/zinc/94/47/80/558944780.db2.gz CUSHBVMKFQNDLK-JOCHJYFZSA-N 1 0 420.513 3.584 40 0 HHABRO COc1ccccc1Cc1cccc(C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000072350402 558947388 /nfs/dbraw/zinc/94/73/88/558947388.db2.gz QRSUSTVGAAVMLV-UHFFFAOYSA-N 1 0 407.558 3.729 40 0 HHABRO COc1cc(C)ccc1C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000072352275 558948534 /nfs/dbraw/zinc/94/85/34/558948534.db2.gz RBPNYYWIGWMTDD-GOSISDBHSA-N 1 0 424.566 3.930 40 0 HHABRO Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1N1CCOCC1 ZINC000019664082 558954641 /nfs/dbraw/zinc/95/46/41/558954641.db2.gz XQZLCKAEKQOQGW-NRFANRHFSA-N 1 0 401.938 3.518 40 0 HHABRO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371740 558959017 /nfs/dbraw/zinc/95/90/17/558959017.db2.gz USRYCXSWCIIBBN-QGZVFWFLSA-N 1 0 409.509 3.621 40 0 HHABRO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693998 558962132 /nfs/dbraw/zinc/96/21/32/558962132.db2.gz ODOICZYKAFXCKB-SFHVURJKSA-N 1 0 410.953 3.976 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 ZINC000019694184 558962499 /nfs/dbraw/zinc/96/24/99/558962499.db2.gz AGZWOUUGVQGDPB-IBGZPJMESA-N 1 0 408.525 3.945 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cn1 ZINC000019694181 558962541 /nfs/dbraw/zinc/96/25/41/558962541.db2.gz RMAUSSNIWSGQKT-LJQANCHMSA-N 1 0 408.525 3.945 40 0 HHABRO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2C)cc1 ZINC000019694319 558962637 /nfs/dbraw/zinc/96/26/37/558962637.db2.gz YCUIMFJHONWQLZ-QFIPXVFZSA-N 1 0 420.561 3.987 40 0 HHABRO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374905 558962980 /nfs/dbraw/zinc/96/29/80/558962980.db2.gz PFMWMUUWCIXXNQ-SFHVURJKSA-N 1 0 417.579 3.603 40 0 HHABRO Cc1nc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706624 558968947 /nfs/dbraw/zinc/96/89/47/558968947.db2.gz VCTGOWXLGHTHOE-HXUWFJFHSA-N 1 0 421.589 3.534 40 0 HHABRO COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)CC1=O ZINC000019715119 558975698 /nfs/dbraw/zinc/97/56/98/558975698.db2.gz ZWCRTUQYBIMOAT-LJQANCHMSA-N 1 0 407.514 3.591 40 0 HHABRO COc1ccccc1C[NH+]1CCC([C@H](NC(=O)c2ccccn2)c2ccccn2)CC1 ZINC000072398544 558975872 /nfs/dbraw/zinc/97/58/72/558975872.db2.gz FALWFUXFEZDXQG-DEOSSOPVSA-N 1 0 416.525 3.869 40 0 HHABRO Cc1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019715764 558976953 /nfs/dbraw/zinc/97/69/53/558976953.db2.gz ZQVSMLUCAVAKQL-QGZVFWFLSA-N 1 0 411.575 3.554 40 0 HHABRO Cc1ccc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C23CCCCC3)c(=O)n1C ZINC000257318216 559011508 /nfs/dbraw/zinc/01/15/08/559011508.db2.gz VMZYEXNXNJASOJ-FYYLOGMGSA-N 1 0 419.569 3.601 40 0 HHABRO CC(C)(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101962 559025069 /nfs/dbraw/zinc/02/50/69/559025069.db2.gz KZSGGDKKUFQAMO-QFIPXVFZSA-N 1 0 424.589 3.653 40 0 HHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053107 559092979 /nfs/dbraw/zinc/09/29/79/559092979.db2.gz VSNXCFMJZCBKMX-OAQYLSRUSA-N 1 0 405.542 3.899 40 0 HHABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@H]3C)s1 ZINC000096062286 559094133 /nfs/dbraw/zinc/09/41/33/559094133.db2.gz VPKFKRHGQMTUOE-HNNXBMFYSA-N 1 0 405.589 3.604 40 0 HHABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3cnn(C)c3)CC1)nc2N1CCCC1 ZINC000096099993 559095302 /nfs/dbraw/zinc/09/53/02/559095302.db2.gz GHQJMLHYYFDFFY-UHFFFAOYSA-N 1 0 407.566 3.726 40 0 HHABRO COCCN(C)c1nc(C2CC[NH+](Cc3cccnc3)CC2)cc2c1ncn2C(C)C ZINC000096155658 559099875 /nfs/dbraw/zinc/09/98/75/559099875.db2.gz NSBYINJLBFCMQD-UHFFFAOYSA-N 1 0 422.577 3.869 40 0 HHABRO COc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000096625897 559111679 /nfs/dbraw/zinc/11/16/79/559111679.db2.gz HDKXTDBYESWORZ-UHFFFAOYSA-N 1 0 402.922 3.756 40 0 HHABRO Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCn4ccnc4)c3)CC2)cc1 ZINC000585274534 559118615 /nfs/dbraw/zinc/11/86/15/559118615.db2.gz ZSRHYIFUCARVPC-UHFFFAOYSA-N 1 0 421.541 3.676 40 0 HHABRO CC(=O)N(C)[C@H]1CCOC2(CC[NH+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC2)C1 ZINC000585283437 559120662 /nfs/dbraw/zinc/12/06/62/559120662.db2.gz OKZRTMCHNIIOHI-KMDXXIMOSA-N 1 0 414.590 3.567 40 0 HHABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)c2)n1 ZINC000585290296 559122837 /nfs/dbraw/zinc/12/28/37/559122837.db2.gz ABOCREYKFSRRNG-IPLHWJFFSA-N 1 0 417.517 3.683 40 0 HHABRO C[C@]12CC[C@H]3c4ccc(OC(=O)CCN5CCOCC5)cc4CC[C@@H]3[C@H]1CCC2=O ZINC000105365683 559162730 /nfs/dbraw/zinc/16/27/30/559162730.db2.gz PAEWODTUFUTSCJ-FUCAVZNHSA-N 1 0 411.542 3.740 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CN(CCc4ccccc4)C(=O)CO3)CC2)cc1 ZINC000257314407 559282817 /nfs/dbraw/zinc/28/28/17/559282817.db2.gz UWVAKQPUGVTKAB-VWLOTQADSA-N 1 0 408.542 3.521 40 0 HHABRO COc1ccc([C@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CCN2C)cc1 ZINC000257249630 559284518 /nfs/dbraw/zinc/28/45/18/559284518.db2.gz JJDBVFLUVKMKBA-XMMPIXPASA-N 1 0 421.585 3.813 40 0 HHABRO Cc1cc(C)c2cc(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000000880653 560539703 /nfs/dbraw/zinc/53/97/03/560539703.db2.gz NLCRYADZPYBSES-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2ccc3c(c2)OCO3)N1c1ccccc1 ZINC000000860761 560554524 /nfs/dbraw/zinc/55/45/24/560554524.db2.gz NOOHLTYSCPANMT-VWLOTQADSA-N 1 0 423.472 3.850 40 0 HHABRO COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000008995749 560640700 /nfs/dbraw/zinc/64/07/00/560640700.db2.gz LXGWRKRXKJDGPC-WPSZSDGUSA-N 1 0 407.514 3.814 40 0 HHABRO Cc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409055071 560671357 /nfs/dbraw/zinc/67/13/57/560671357.db2.gz BYNVZQHSHCMKCB-PVTRQTPWSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 ZINC000409061383 560671624 /nfs/dbraw/zinc/67/16/24/560671624.db2.gz WUMKTOUASLIKLY-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409060998 560672673 /nfs/dbraw/zinc/67/26/73/560672673.db2.gz BGURUKGTRUOSGN-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(C)c2OC)C1 ZINC000057774144 568497342 /nfs/dbraw/zinc/49/73/42/568497342.db2.gz KWNXCXWEGLHDPT-CVDCTZTESA-N 1 0 411.546 3.505 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000223236225 568542086 /nfs/dbraw/zinc/54/20/86/568542086.db2.gz UGLSOYXORLSVSJ-YADHBBJMSA-N 1 0 423.561 3.936 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000223278081 568543817 /nfs/dbraw/zinc/54/38/17/568543817.db2.gz NYOPEYKDNMTXLF-RTWAWAEBSA-N 1 0 409.534 3.546 40 0 HHABRO COc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000224536794 568583970 /nfs/dbraw/zinc/58/39/70/568583970.db2.gz ZZOXJLNVINFUOO-UHFFFAOYSA-N 1 0 402.922 3.756 40 0 HHABRO COc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(OC)c1OC ZINC000224592444 568586935 /nfs/dbraw/zinc/58/69/35/568586935.db2.gz ITKDZAPMWPYBHU-ZRDIBKRKSA-N 1 0 410.514 3.638 40 0 HHABRO COc1cc2c(cc1S(=O)(=O)NCc1cccc(C[NH+]3CCCC3)c1)CCCC2 ZINC000224639657 568589935 /nfs/dbraw/zinc/58/99/35/568589935.db2.gz IDHPFAAMJOTOHD-UHFFFAOYSA-N 1 0 414.571 3.648 40 0 HHABRO COc1ccc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc2c1 ZINC000224639528 568590002 /nfs/dbraw/zinc/59/00/02/568590002.db2.gz FXHWVHHKZJYFLH-UHFFFAOYSA-N 1 0 410.539 3.923 40 0 HHABRO O=S(=O)(Cc1ccc(Br)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224779988 568596629 /nfs/dbraw/zinc/59/66/29/568596629.db2.gz UFHVCCPIEDBDLW-UHFFFAOYSA-N 1 0 423.376 3.665 40 0 HHABRO O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225278314 568627554 /nfs/dbraw/zinc/62/75/54/568627554.db2.gz RSQTYRNRDQDHSS-MSOLQXFVSA-N 1 0 400.906 3.508 40 0 HHABRO CC(C)(C)c1ccc(C[N@H+]2C[C@H]3[C@H](CC[C@@H]3Oc3cccnc3)C2)c(OCC(N)=O)c1 ZINC000257247118 568789485 /nfs/dbraw/zinc/78/94/85/568789485.db2.gz IXOQYUHJFPJEHF-WTNAPCKOSA-N 1 0 423.557 3.533 40 0 HHABRO CN(C)c1ncccc1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000257251205 568790745 /nfs/dbraw/zinc/79/07/45/568790745.db2.gz JPVUWIKEAGVDPM-YADHBBJMSA-N 1 0 410.537 3.832 40 0 HHABRO COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H]([NH3+])CC(C)C)CC[C@H]3O[C@@H]21 ZINC000257273056 568796578 /nfs/dbraw/zinc/79/65/78/568796578.db2.gz NFBNFHBCYSCSSA-GSFBZFRISA-N 1 0 416.562 3.534 40 0 HHABRO COc1ccccc1CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257275428 568797199 /nfs/dbraw/zinc/79/71/99/568797199.db2.gz NPJQDSILRMVJEX-YDYQCYGMSA-N 1 0 404.554 3.981 40 0 HHABRO COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cn(C)cn4)CC3)CO[C@H]21 ZINC000257280273 568798557 /nfs/dbraw/zinc/79/85/57/568798557.db2.gz OKGANVWRZMIMLB-RBBKRZOGSA-N 1 0 411.546 3.960 40 0 HHABRO Cn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 ZINC000257299386 568804251 /nfs/dbraw/zinc/80/42/51/568804251.db2.gz RPVUVZPRKKIBNM-NRFANRHFSA-N 1 0 416.447 3.998 40 0 HHABRO COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)o1 ZINC000257303016 568805163 /nfs/dbraw/zinc/80/51/63/568805163.db2.gz SFKYWEZZMHWHRD-HXUWFJFHSA-N 1 0 411.546 3.856 40 0 HHABRO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257303602 568805401 /nfs/dbraw/zinc/80/54/01/568805401.db2.gz SHWZFZWBKZYVEX-VWLOTQADSA-N 1 0 406.574 3.694 40 0 HHABRO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](CC2CC2)CCO1)N1CCCCC1 ZINC000257329955 568812975 /nfs/dbraw/zinc/81/29/75/568812975.db2.gz XMELQYUFJXBFJU-QFIPXVFZSA-N 1 0 406.954 3.602 40 0 HHABRO 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 568814205 /nfs/dbraw/zinc/81/42/05/568814205.db2.gz YDUGFOPLWIWUNL-YLYPHGCXSA-N 1 0 420.557 3.579 40 0 HHABRO Cc1ncsc1C[NH+]1CCC2(CC1)c1ccccc1N(CC1CC1)S2(=O)=O ZINC000306127372 568890194 /nfs/dbraw/zinc/89/01/94/568890194.db2.gz FWYLERSNECDHDF-UHFFFAOYSA-N 1 0 403.573 3.503 40 0 HHABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(F)c4)CC2)CN(C)C3)cc1 ZINC000306128954 568891651 /nfs/dbraw/zinc/89/16/51/568891651.db2.gz HPDGPHAJHOBCTK-UHFFFAOYSA-N 1 0 421.520 3.530 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(OC)cc4)C[C@H]32)cc1 ZINC000306135212 568897271 /nfs/dbraw/zinc/89/72/71/568897271.db2.gz OLCAVNMLPFVOLQ-BJKOFHAPSA-N 1 0 417.509 3.587 40 0 HHABRO CC1(C)CC(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)CC(C)(C)[NH2+]1 ZINC000002780224 568932120 /nfs/dbraw/zinc/93/21/20/568932120.db2.gz OTJSHGDNSOAAMO-UHFFFAOYSA-N 1 0 406.880 3.858 40 0 HHABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OCC(N)=O ZINC000006857339 568936949 /nfs/dbraw/zinc/93/69/49/568936949.db2.gz WRARXHCGFJZLBL-UHFFFAOYSA-N 1 0 401.345 3.626 40 0 HHABRO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH2+]CCO ZINC000065740016 568940208 /nfs/dbraw/zinc/94/02/08/568940208.db2.gz WDGXWUJUPXLCDK-UHFFFAOYSA-N 1 0 420.872 3.525 40 0 in-vitro HHABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218625327 568942074 /nfs/dbraw/zinc/94/20/74/568942074.db2.gz RQRWOMWEVYHYQF-ACRUOGEOSA-N 1 0 407.963 3.824 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2ccccc2)n1 ZINC000328982496 568971263 /nfs/dbraw/zinc/97/12/63/568971263.db2.gz HAQUUGIAGRELTI-UHFFFAOYSA-N 1 0 401.436 3.512 40 0 HHABRO Cc1nc2cc(Nc3cc(-c4ccccc4)nc(NCC[NH+](C)C)n3)ccc2s1 ZINC000329019927 568973024 /nfs/dbraw/zinc/97/30/24/568973024.db2.gz NZPBKNWEMBSPOG-UHFFFAOYSA-N 1 0 404.543 3.623 40 0 HHABRO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)CO[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)CC2 ZINC000035052921 569027811 /nfs/dbraw/zinc/02/78/11/569027811.db2.gz DHFDBTZMHIWGFB-FSNSLZAISA-N 1 0 403.563 3.654 40 0 HHABRO COc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000027531071 569047410 /nfs/dbraw/zinc/04/74/10/569047410.db2.gz WZAIYJULKDBJGU-NRFANRHFSA-N 1 0 412.574 3.550 40 0 HHABRO C[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000033705596 569351074 /nfs/dbraw/zinc/35/10/74/569351074.db2.gz PLTPATAZJSENGG-VQHVLOKHSA-N 1 0 400.866 3.652 40 0 HHABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019703461 569428696 /nfs/dbraw/zinc/42/86/96/569428696.db2.gz ZGZUUGKLGZFBOA-XMMPIXPASA-N 1 0 405.498 3.531 40 0 HHABRO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 ZINC000253394095 291248401 /nfs/dbraw/zinc/24/84/01/291248401.db2.gz ADKRMLNCSXIJGY-NRFANRHFSA-N 1 0 415.940 3.900 40 0 biogenic,in-vitro HHABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)COC1 ZINC000096112752 291251037 /nfs/dbraw/zinc/25/10/37/291251037.db2.gz UUOZLMUAIFURDP-INIZCTEOSA-N 1 0 419.403 3.703 40 0 biogenic,in-vitro HHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccccc1 ZINC000015673287 291258847 /nfs/dbraw/zinc/25/88/47/291258847.db2.gz YOMXCFFUTMFRSO-PMACEKPBSA-N 1 0 407.489 3.955 40 0 biogenic,in-vitro HHABRO O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2[nH]cnc2CN1Cc1ccc(Cl)cc1 ZINC000015676383 291258948 /nfs/dbraw/zinc/25/89/48/291258948.db2.gz QMXYJXNVOIPGHS-FQEVSTJZSA-N 1 0 415.324 3.960 40 0 biogenic,in-vitro HHABRO COc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000044851732 523937368 /nfs/dbraw/zinc/93/73/68/523937368.db2.gz WAEAEXDVFYBTCS-FQEVSTJZSA-N 1 0 414.521 3.804 40 0 HHABRO c1ccc(OCCn2nc(C3CC[NH+](Cc4ccccn4)CC3)c3nccnc32)cc1 ZINC000072395857 526486799 /nfs/dbraw/zinc/48/67/99/526486799.db2.gz UNUUEJUMBTZDCI-UHFFFAOYSA-N 1 0 414.513 3.680 40 0 HHABRO COc1ccc(NC(=O)N(CCC[NH+](C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000004231345 557530653 /nfs/dbraw/zinc/53/06/53/557530653.db2.gz UCCQYNLNCMQMTK-UHFFFAOYSA-N 1 0 422.529 3.831 40 0 HHABRO CCOC(=O)C1=C(C)NC(=[NH2+])N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408731604 557795643 /nfs/dbraw/zinc/79/56/43/557795643.db2.gz NWNNFVFSXOFLCE-OAQYLSRUSA-N 1 0 409.486 3.670 40 0 HHABRO Cc1nc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741470 558262060 /nfs/dbraw/zinc/26/20/60/558262060.db2.gz TWUCEDVRXMSFBR-HXUWFJFHSA-N 1 0 420.557 3.623 40 0 HHABRO CNC(=O)c1cn(C)nc1CC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019756298 558274455 /nfs/dbraw/zinc/27/44/55/558274455.db2.gz OMXXTJNQFPTPLB-UHFFFAOYSA-N 1 0 402.542 3.901 40 0 HHABRO COc1ccccc1NC(=O)c1ccc(C2CC[NH+](Cc3cccnc3)CC2)nc1N ZINC000019766276 558278590 /nfs/dbraw/zinc/27/85/90/558278590.db2.gz JGGFITJHXXVUMK-UHFFFAOYSA-N 1 0 417.513 3.699 40 0 HHABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)CCc4cc(Cl)no4)CC3)CC2)cc1 ZINC000012187115 558345907 /nfs/dbraw/zinc/34/59/07/558345907.db2.gz ZIEJCZTZTAFRBF-UHFFFAOYSA-N 1 0 417.937 3.582 40 0 HHABRO Cc1cc(-c2cnc(N3CCCC3)nc2C2CC[NH+](Cc3cccnc3)CC2)on1 ZINC000012232371 558358305 /nfs/dbraw/zinc/35/83/05/558358305.db2.gz AWRUPQZIBUUQGC-UHFFFAOYSA-N 1 0 404.518 3.815 40 0 HHABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293778 558367407 /nfs/dbraw/zinc/36/74/07/558367407.db2.gz QYBWBLLAOIVVBN-FGZHOGPDSA-N 1 0 424.541 3.728 40 0 HHABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cn(CCCO)c3ccccc23)CC1 ZINC000012328525 558383676 /nfs/dbraw/zinc/38/36/76/558383676.db2.gz SSZUJLJTAAOXDB-UHFFFAOYSA-N 1 0 423.532 3.790 40 0 HHABRO Cc1c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000022513238 558493292 /nfs/dbraw/zinc/49/32/92/558493292.db2.gz XAYBIOIJIMTQSN-GOSISDBHSA-N 1 0 418.541 3.969 40 0 HHABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]CCN2CCOCC2)cc1 ZINC000023263557 558547125 /nfs/dbraw/zinc/54/71/25/558547125.db2.gz BXHPUIDWHQRIBI-UHFFFAOYSA-N 1 0 423.326 3.589 40 0 HHABRO O=C(NCCC[NH+]1CCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000013674467 558563833 /nfs/dbraw/zinc/56/38/33/558563833.db2.gz NPCOUWYIBAJKKE-XMMPIXPASA-N 1 0 423.582 3.677 40 0 HHABRO COCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000030757053 558737370 /nfs/dbraw/zinc/73/73/70/558737370.db2.gz JPTRRVKTJKPJTK-GOSISDBHSA-N 1 0 409.530 3.547 40 0 HHABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000035586277 558793889 /nfs/dbraw/zinc/79/38/89/558793889.db2.gz NCPYNQDHIIBZIX-GECPAALWSA-N 1 0 404.595 3.656 40 0 HHABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019236850 558856061 /nfs/dbraw/zinc/85/60/61/558856061.db2.gz AHTVFMABRZJUCG-NFBKMPQASA-N 1 0 403.530 3.507 40 0 HHABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000019371230 558879177 /nfs/dbraw/zinc/87/91/77/558879177.db2.gz LHGHZOAGQRPPQP-XMMPIXPASA-N 1 0 400.526 3.902 40 0 HHABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1)N1CCC(O)CC1 ZINC000019376375 558882279 /nfs/dbraw/zinc/88/22/79/558882279.db2.gz QHSCLKQYAGUKNC-HXUWFJFHSA-N 1 0 419.525 3.804 40 0 HHABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccnc2)CC1)c1cccc(F)c1 ZINC000019400881 558883293 /nfs/dbraw/zinc/88/32/93/558883293.db2.gz KDXXSFRLZDHSPN-HSZRJFAPSA-N 1 0 404.489 3.999 40 0 HHABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC000019404198 558884494 /nfs/dbraw/zinc/88/44/94/558884494.db2.gz RBEAAYGPVFBBQC-JOCHJYFZSA-N 1 0 422.577 3.570 40 0 HHABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCCC4)[nH]c(=O)c3C2)CC1 ZINC000019495979 558894835 /nfs/dbraw/zinc/89/48/35/558894835.db2.gz LAELFFWKGYWQAK-IAYYMHMVSA-N 1 0 412.578 3.973 40 0 HHABRO C[C@H]1CCC[N@H+](CC(C)(C)NC(=O)CCc2nc(-c3ccccc3Cl)no2)C1 ZINC000019496531 558895432 /nfs/dbraw/zinc/89/54/32/558895432.db2.gz IXPMSVUHBBRVMQ-HNNXBMFYSA-N 1 0 404.942 3.949 40 0 HHABRO CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)cc2N1 ZINC000019520595 558901704 /nfs/dbraw/zinc/90/17/04/558901704.db2.gz FEWVYYQVKIAZAK-KBAYOESNSA-N 1 0 423.483 3.922 40 0 HHABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532001 558912125 /nfs/dbraw/zinc/91/21/25/558912125.db2.gz JWOGARHTJPRIHV-GOSISDBHSA-N 1 0 420.513 3.619 40 0 HHABRO C=Cn1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccc(OC)cc4)n3)CC2)c1C ZINC000019554345 558917486 /nfs/dbraw/zinc/91/74/86/558917486.db2.gz RGJPEAVSPBQZTN-UHFFFAOYSA-N 1 0 405.502 3.843 40 0 HHABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)c3ccccn3)c3ccccn3)CC2)c1 ZINC000019564863 558924877 /nfs/dbraw/zinc/92/48/77/558924877.db2.gz UQWQMBLHLJSJPK-XMMPIXPASA-N 1 0 416.525 3.869 40 0 HHABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019570259 558929179 /nfs/dbraw/zinc/92/91/79/558929179.db2.gz PTBDGPUDWKZEIR-IBGZPJMESA-N 1 0 418.545 3.855 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000072330603 558935014 /nfs/dbraw/zinc/93/50/14/558935014.db2.gz DWHQBTCVRJYDIW-HSQYWUDLSA-N 1 0 415.484 3.608 40 0 HHABRO COC(=O)[C@@]1(Cc2ccc(F)cc2)C(=O)C[C@@H]2CC[C@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340202 558939095 /nfs/dbraw/zinc/93/90/95/558939095.db2.gz QAMFXTJNMONMBY-XZDHIHRUSA-N 1 0 411.473 3.542 40 0 HHABRO COc1cccc(-c2cccc(C[C@H]3C[N@H+](Cc4ccccn4)CCN(C)C3=O)c2)c1 ZINC000019589526 558940381 /nfs/dbraw/zinc/94/03/81/558940381.db2.gz QPTOLQOGADEFDQ-QHCPKHFHSA-N 1 0 415.537 3.890 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591326 558941608 /nfs/dbraw/zinc/94/16/08/558941608.db2.gz PSIMKAZXKCTVEU-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591320 558941727 /nfs/dbraw/zinc/94/17/27/558941727.db2.gz UNDYSUJQPKFDHG-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000072345940 558942528 /nfs/dbraw/zinc/94/25/28/558942528.db2.gz MJRWIJIBBXWLRO-GOSISDBHSA-N 1 0 421.932 3.858 40 0 HHABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1 ZINC000072346227 558943150 /nfs/dbraw/zinc/94/31/50/558943150.db2.gz BJMGYICUKMKQMB-QGZVFWFLSA-N 1 0 404.518 3.551 40 0 HHABRO COCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019593716 558944842 /nfs/dbraw/zinc/94/48/42/558944842.db2.gz SUGUWEZSWKJAPL-JOCHJYFZSA-N 1 0 420.513 3.584 40 0 HHABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349538 558946390 /nfs/dbraw/zinc/94/63/90/558946390.db2.gz AIGPKPPMYRDKBQ-QGZVFWFLSA-N 1 0 405.464 3.959 40 0 HHABRO CCC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCC[NH+](C)C ZINC000072370661 558957014 /nfs/dbraw/zinc/95/70/14/558957014.db2.gz AFADYJQBDLBPJQ-QGZVFWFLSA-N 1 0 415.603 3.916 40 0 HHABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2cnn(C)c2C)c1 ZINC000019689389 558958835 /nfs/dbraw/zinc/95/88/35/558958835.db2.gz YEKJPXODTJBOAL-OAQYLSRUSA-N 1 0 406.534 3.597 40 0 HHABRO Cc1n[nH]c(C)c1NC(=O)C1(Cc2cccc([C@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372222 558959530 /nfs/dbraw/zinc/95/95/30/558959530.db2.gz DPEORFFOLFOGAN-NRFANRHFSA-N 1 0 410.562 3.814 40 0 HHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000019690423 558959886 /nfs/dbraw/zinc/95/98/86/558959886.db2.gz XGGFPANHQXMCFT-OAQYLSRUSA-N 1 0 419.504 3.785 40 0 HHABRO Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374952 558963319 /nfs/dbraw/zinc/96/33/19/558963319.db2.gz OIGNKSRLKIVXRE-SFHVURJKSA-N 1 0 404.518 3.899 40 0 HHABRO CCn1cc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)cn1 ZINC000019695231 558963929 /nfs/dbraw/zinc/96/39/29/558963929.db2.gz SCUMFHQPWIYTKP-UHFFFAOYSA-N 1 0 420.561 3.814 40 0 HHABRO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)C2CCCCC2)n1 ZINC000019697387 558964968 /nfs/dbraw/zinc/96/49/68/558964968.db2.gz QCRCJXOBEOOFBV-INIZCTEOSA-N 1 0 411.525 3.942 40 0 HHABRO CC(C)[NH+]1CCC(c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)cc(N(C)C)n2)CC1 ZINC000019697434 558965044 /nfs/dbraw/zinc/96/50/44/558965044.db2.gz DEVFJIQQAMQTLX-NRFANRHFSA-N 1 0 421.589 3.647 40 0 HHABRO COc1cccc(CN2CC=CC[C@@H](C3CC[NH+](Cc4cn(C)nc4C)CC3)C2=O)c1 ZINC000019698506 558966213 /nfs/dbraw/zinc/96/62/13/558966213.db2.gz MKMMPPKOQICWAV-DEOSSOPVSA-N 1 0 422.573 3.554 40 0 HHABRO COc1ccc2c(c1)c([C@@H]1CN(Cc3cc(OC)ccc3OC)C[C@H]1[NH+](C)C)cn2C ZINC000072395537 558974382 /nfs/dbraw/zinc/97/43/82/558974382.db2.gz FASJGVPMNFHIGU-LADGPHEKSA-N 1 0 423.557 3.734 40 0 HHABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](C2CCOCC2)C1 ZINC000072396051 558975035 /nfs/dbraw/zinc/97/50/35/558975035.db2.gz YXFFDRQQJKHDIR-XMMPIXPASA-N 1 0 411.546 3.590 40 0 HHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)o1 ZINC000096052931 559092740 /nfs/dbraw/zinc/09/27/40/559092740.db2.gz UTVRVHCNYLINGY-NRFANRHFSA-N 1 0 421.585 3.773 40 0 HHABRO CC(C)n1c2cc(C(=O)NCC[NH+]3CCCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146442 559097961 /nfs/dbraw/zinc/09/79/61/559097961.db2.gz RYANWPJXIHUFGM-UHFFFAOYSA-N 1 0 416.529 3.782 40 0 HHABRO CCCN(CC)C(=O)c1cnc(-c2noc3cc(N4CC[NH+](C)CC4)ccc32)s1 ZINC000096154597 559098956 /nfs/dbraw/zinc/09/89/56/559098956.db2.gz UQKPJFASEXSTGV-UHFFFAOYSA-N 1 0 413.547 3.575 40 0 HHABRO COc1cccc(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)c1 ZINC000096216388 559101885 /nfs/dbraw/zinc/10/18/85/559101885.db2.gz WSRKGCKPOPOUEV-VWLOTQADSA-N 1 0 408.542 3.631 40 0 HHABRO CN1C(=O)CCC[C@]12C[N@H+](CCOc1ccc(F)cc1)C[C@H]2c1ccc(F)cc1 ZINC000585261801 559109353 /nfs/dbraw/zinc/10/93/53/559109353.db2.gz NSRULKCRGHIRBW-JTHBVZDNSA-N 1 0 400.469 3.824 40 0 HHABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000585261805 559109463 /nfs/dbraw/zinc/10/94/63/559109463.db2.gz NCGPEEREHPHNLZ-DEOSSOPVSA-N 1 0 410.533 3.733 40 0 HHABRO Cc1ccc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1F ZINC000585262208 559110518 /nfs/dbraw/zinc/11/05/18/559110518.db2.gz XPZBEFXINPZTNO-KJWPAHLWSA-N 1 0 423.532 3.817 40 0 HHABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000585262498 559111010 /nfs/dbraw/zinc/11/10/10/559111010.db2.gz GQAFRSVQNJLYOZ-OAQYLSRUSA-N 1 0 408.498 3.541 40 0 HHABRO CCOCCOc1ccc(C[NH+]2CCC(O)(COc3ccccc3F)CC2)cc1 ZINC000585272972 559117293 /nfs/dbraw/zinc/11/72/93/559117293.db2.gz NYCSIIGVVVJDLV-UHFFFAOYSA-N 1 0 403.494 3.647 40 0 HHABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272748 559118185 /nfs/dbraw/zinc/11/81/85/559118185.db2.gz JKSRWOZUZCFRTH-DEOSSOPVSA-N 1 0 414.521 3.700 40 0 HHABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2ccccc2)C1 ZINC000585287303 559121036 /nfs/dbraw/zinc/12/10/36/559121036.db2.gz MIFZVESWBCLIAE-PQNGQFLHSA-N 1 0 402.579 3.566 40 0 HHABRO [NH3+][C@@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000100708844 559138201 /nfs/dbraw/zinc/13/82/01/559138201.db2.gz ANMSEIJIPACNNM-KGVIQGDOSA-N 1 0 416.529 3.705 40 0 HHABRO COc1ccc(C[NH2+][C@@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1 ZINC000100744447 559139536 /nfs/dbraw/zinc/13/95/36/559139536.db2.gz TYWVNVOJFSTEBR-HSZRJFAPSA-N 1 0 403.486 3.992 40 0 HHABRO CC[NH+]1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070470 559272784 /nfs/dbraw/zinc/27/27/84/559272784.db2.gz HKADMSCDXVRMBS-NRFANRHFSA-N 1 0 420.638 3.675 40 0 HHABRO CC[NH+]1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069903 559272811 /nfs/dbraw/zinc/27/28/11/559272811.db2.gz RJTBDPRPIQSYQY-JOCHJYFZSA-N 1 0 420.638 3.794 40 0 HHABRO O=C(N[C@@H](NCCN1CCCCC1)C(Cl)(Cl)Cl)[C@@H]1C[C@@H]1c1ccccc1 ZINC000170614187 559278727 /nfs/dbraw/zinc/27/87/27/559278727.db2.gz NGJOOEHAMYQXBM-JFIYKMOQSA-N 1 0 418.796 3.678 40 0 HHABRO COc1ccc(NC(=O)c2cc(OCCC[NH+](C)C)nn2Cc2ccccc2)cc1 ZINC000001549583 560182133 /nfs/dbraw/zinc/18/21/33/560182133.db2.gz YZCSJBGQLATPMH-UHFFFAOYSA-N 1 0 408.502 3.523 40 0 in-vitro HHABRO CCc1ccc2[nH]c(=O)c(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)cc2c1 ZINC000004132083 560599767 /nfs/dbraw/zinc/59/97/67/560599767.db2.gz VPAKZKLXTNTFGN-UHFFFAOYSA-N 1 0 414.619 3.661 40 0 HHABRO Cc1cccc(NC(=O)Cn2nnc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)n2)c1C ZINC000004907594 560617855 /nfs/dbraw/zinc/61/78/55/560617855.db2.gz OEUGAQHFPBJUEG-UHFFFAOYSA-N 1 0 418.545 3.828 40 0 HHABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@H]2c2ccccc2)c1 ZINC000409056459 560670403 /nfs/dbraw/zinc/67/04/03/560670403.db2.gz RKAAUIVATIYEEH-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000409059068 560670865 /nfs/dbraw/zinc/67/08/65/560670865.db2.gz QSZSMTUCEFFIGI-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO CCCC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057671584 568495263 /nfs/dbraw/zinc/49/52/63/568495263.db2.gz WKYHGPLZNPEQOG-HXUWFJFHSA-N 1 0 414.554 3.976 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000223235092 568541960 /nfs/dbraw/zinc/54/19/60/568541960.db2.gz OEQGFLKPXZQNNH-FGZHOGPDSA-N 1 0 405.571 3.797 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000223236594 568542088 /nfs/dbraw/zinc/54/20/88/568542088.db2.gz GAWJFERPRXOBGG-FGZHOGPDSA-N 1 0 423.561 3.936 40 0 HHABRO COc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C(C)C ZINC000223316542 568544931 /nfs/dbraw/zinc/54/49/31/568544931.db2.gz ZAELLUBNDTWPBD-UHFFFAOYSA-N 1 0 416.587 3.854 40 0 HHABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223865078 568561296 /nfs/dbraw/zinc/56/12/96/568561296.db2.gz ZGWDCUDXENNKEL-QZTJIDSGSA-N 1 0 414.571 3.813 40 0 HHABRO O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225236882 568625058 /nfs/dbraw/zinc/62/50/58/568625058.db2.gz UEAJFDAGHUQASI-HSZRJFAPSA-N 1 0 414.505 3.815 40 0 HHABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccc(F)cc2)CCOCC1 ZINC000225573849 568652845 /nfs/dbraw/zinc/65/28/45/568652845.db2.gz XVESUZLIUISLMW-UHFFFAOYSA-N 1 0 412.505 3.987 40 0 HHABRO O=C(NCC1(c2ccccc2)CCOCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225786555 568674723 /nfs/dbraw/zinc/67/47/23/568674723.db2.gz BPFYMNBCCPLXRQ-UHFFFAOYSA-N 1 0 410.533 3.902 40 0 HHABRO Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000257211476 568779327 /nfs/dbraw/zinc/77/93/27/568779327.db2.gz BZABKBXNAPDSEK-DEOSSOPVSA-N 1 0 401.514 3.668 40 0 HHABRO Cc1cccnc1Nc1cncc(C2CCN(C(=O)CC[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000257220011 568782028 /nfs/dbraw/zinc/78/20/28/568782028.db2.gz DJEREJAFUJDNRL-GOSISDBHSA-N 1 0 422.577 3.752 40 0 HHABRO CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CC[NH+]2CCC(C)CC2)C1 ZINC000257248963 568789970 /nfs/dbraw/zinc/78/99/70/568789970.db2.gz JFZRUKKBSMPRJM-KRWDZBQOSA-N 1 0 413.587 3.699 40 0 HHABRO CCOc1ccc(C[NH+]2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1CO ZINC000257265470 568794296 /nfs/dbraw/zinc/79/42/96/568794296.db2.gz LYULIRBSLNFWND-UHFFFAOYSA-N 1 0 419.529 3.886 40 0 HHABRO C[NH+](C)CCNC(=O)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 ZINC000257282815 568799390 /nfs/dbraw/zinc/79/93/90/568799390.db2.gz OVKHKVIEWGHQDY-UHFFFAOYSA-N 1 0 402.485 3.649 40 0 HHABRO Cc1cc(Nc2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)nn1C ZINC000257299011 568804256 /nfs/dbraw/zinc/80/42/56/568804256.db2.gz ROIUZQWHVWNULN-QFIPXVFZSA-N 1 0 414.513 3.989 40 0 HHABRO CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257306135 568806277 /nfs/dbraw/zinc/80/62/77/568806277.db2.gz STBLQBJNIHCHCB-INIZCTEOSA-N 1 0 406.527 3.649 40 0 HHABRO CC[N@@H+]1CC[C@@H](CNC(=O)C2(Cc3cccc(-c4cccnc4)c3)CCOCC2)C1 ZINC000257305984 568806283 /nfs/dbraw/zinc/80/62/83/568806283.db2.gz SSJAJUCTPUDIMH-NRFANRHFSA-N 1 0 407.558 3.546 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3cccc(F)c3)C2)cc1O ZINC000257306646 568806580 /nfs/dbraw/zinc/80/65/80/568806580.db2.gz SVEVAAVKLSPZFZ-XZOQPEGZSA-N 1 0 403.494 3.970 40 0 HHABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CC[NH+](CC(=O)N3CCCCC3)CC2)[nH+]1 ZINC000257312183 568807889 /nfs/dbraw/zinc/80/78/89/568807889.db2.gz UMTZCIVKBURETJ-UHFFFAOYSA-N 1 0 411.525 3.860 40 0 HHABRO COc1cccc(Nc2cc(C)nc([C@H]3CC[N@@H+](C4CCN(C(C)=O)CC4)C3)c2)c1 ZINC000257335212 568814890 /nfs/dbraw/zinc/81/48/90/568814890.db2.gz YJDQAUKKLOJRSY-IBGZPJMESA-N 1 0 408.546 3.942 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4sccc4C)C[C@H]32)cc1 ZINC000306126312 568889146 /nfs/dbraw/zinc/88/91/46/568889146.db2.gz DSHYZWBZAJXILH-NHCUHLMSSA-N 1 0 407.539 3.948 40 0 HHABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306131206 568893353 /nfs/dbraw/zinc/89/33/53/568893353.db2.gz JYPHJQNBAVOKGL-XUZZJYLKSA-N 1 0 420.582 3.890 40 0 HHABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218591645 568938399 /nfs/dbraw/zinc/93/83/99/568938399.db2.gz PXATVBJBYUSZAX-OKZBNKHCSA-N 1 0 400.327 3.525 40 0 HHABRO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000328961492 568969779 /nfs/dbraw/zinc/96/97/79/568969779.db2.gz BDGUDRBVARXZPQ-ZDUSSCGKSA-N 1 0 410.440 3.854 40 0 HHABRO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000328961489 568969826 /nfs/dbraw/zinc/96/98/26/568969826.db2.gz BDGUDRBVARXZPQ-CYBMUJFWSA-N 1 0 410.440 3.854 40 0 HHABRO CC(C)c1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328974766 568970669 /nfs/dbraw/zinc/97/06/69/568970669.db2.gz FGMCYTPVXHZOAP-HXUWFJFHSA-N 1 0 412.578 3.819 40 0 HHABRO C[NH+](C)CCNc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)n1 ZINC000329008060 568972373 /nfs/dbraw/zinc/97/23/73/568972373.db2.gz LNTQQVRBIITHRH-UHFFFAOYSA-N 1 0 416.367 3.653 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329043098 568974267 /nfs/dbraw/zinc/97/42/67/568974267.db2.gz SRIYPNHTKSSRPB-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(OC)c1OC ZINC000009062541 569342157 /nfs/dbraw/zinc/34/21/57/569342157.db2.gz TULBKFUOPSOWKU-UHFFFAOYSA-N 1 0 412.530 3.549 40 0 HHABRO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009062711 569342266 /nfs/dbraw/zinc/34/22/66/569342266.db2.gz NAWHRBSCGJLVKC-QGZVFWFLSA-N 1 0 400.494 3.630 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000019371252 569345501 /nfs/dbraw/zinc/34/55/01/569345501.db2.gz LUHUQWDWAAADJF-ZJSXRUAMSA-N 1 0 400.526 3.902 40 0 HHABRO Cc1ccccc1C[N@@H+]1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 ZINC000019700899 569428729 /nfs/dbraw/zinc/42/87/29/569428729.db2.gz VEHRKLJMDDBCPO-AREMUKBSSA-N 1 0 415.537 3.520 40 0 HHABRO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCC(C(N)=O)CC3)C=C2C)o1 ZINC000035442707 291249626 /nfs/dbraw/zinc/24/96/26/291249626.db2.gz HLXGWSOHXLNXQT-UFYCRDLUSA-N 1 0 402.583 3.617 40 0 biogenic,in-vitro HHABRO Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccco3)nc(C)n2)cc1 ZINC000015672580 291257037 /nfs/dbraw/zinc/25/70/37/291257037.db2.gz BZUNSGPLDZVXFM-HBMCJLEFSA-N 1 0 416.525 3.961 40 0 biogenic,in-vitro HHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)Nc1nccs1 ZINC000015673282 291258843 /nfs/dbraw/zinc/25/88/43/291258843.db2.gz JNKDTPOOSUSTGB-GJZGRUSLSA-N 1 0 400.479 3.734 40 0 biogenic,in-vitro HHABRO c1csc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000015707237 291260277 /nfs/dbraw/zinc/26/02/77/291260277.db2.gz XVSYUCWUHPZSSP-INIZCTEOSA-N 1 0 407.455 3.550 40 0 biogenic,in-vitro HHABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cn1 ZINC000225932035 521799371 /nfs/dbraw/zinc/79/93/71/521799371.db2.gz ZZEGVWHCDFUCMJ-UHFFFAOYSA-N 1 0 401.510 3.697 40 0 HHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000044851742 523935230 /nfs/dbraw/zinc/93/52/30/523935230.db2.gz GTKKQJNMNYLWSO-UHFFFAOYSA-N 1 0 410.558 3.973 40 0 HHABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000034882185 557075282 /nfs/dbraw/zinc/07/52/82/557075282.db2.gz RNWPVPDQNBALAL-UHFFFAOYSA-N 1 0 423.369 3.872 40 0 HHABRO CC(=O)N(CC[C@](CC[NH+]1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000005442038 557653828 /nfs/dbraw/zinc/65/38/28/557653828.db2.gz GTEPPJFJSNSNIH-QFIPXVFZSA-N 1 0 407.986 3.586 40 0 investigational HHABRO CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3C)cc2Cl)CC1 ZINC000006241945 557695646 /nfs/dbraw/zinc/69/56/46/557695646.db2.gz ZPIDKVUNTVXVEZ-UHFFFAOYSA-N 1 0 416.978 3.917 40 0 HHABRO Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=[NH+][C@H]2[C@H]1CC=CCC1 ZINC000010385483 557862072 /nfs/dbraw/zinc/86/20/72/557862072.db2.gz ONQFQSBELPLCJS-HRAATJIYSA-N 1 0 402.502 3.502 40 0 HHABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752952 558272207 /nfs/dbraw/zinc/27/22/07/558272207.db2.gz PMEXHYAPJQXGLY-NRFANRHFSA-N 1 0 414.557 3.907 40 0 HHABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000019756699 558274558 /nfs/dbraw/zinc/27/45/58/558274558.db2.gz YAAJHRFAQFWKRQ-JOCHJYFZSA-N 1 0 406.574 3.961 40 0 HHABRO CCOc1ccc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cc1Cn1ccnc1 ZINC000012143839 558335707 /nfs/dbraw/zinc/33/57/07/558335707.db2.gz HYRFBQGUAKVINA-UHFFFAOYSA-N 1 0 421.541 3.822 40 0 HHABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182132 558343134 /nfs/dbraw/zinc/34/31/34/558343134.db2.gz XYXCXSVJAPNTOJ-HYVNUMGLSA-N 1 0 409.456 3.795 40 0 HHABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)c2c(OC)cccc12 ZINC000012185820 558345233 /nfs/dbraw/zinc/34/52/33/558345233.db2.gz ZKRPPZPWUUASJH-INIZCTEOSA-N 1 0 409.482 3.969 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3cc(C)sc3C)CC1)C[C@H]2O ZINC000012241589 558360391 /nfs/dbraw/zinc/36/03/91/558360391.db2.gz PFTZKXRLFBVXKN-WOJBJXKFSA-N 1 0 403.544 3.758 40 0 HHABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293781 558367415 /nfs/dbraw/zinc/36/74/15/558367415.db2.gz QYBWBLLAOIVVBN-VXKWHMMOSA-N 1 0 424.541 3.728 40 0 HHABRO COC(=O)c1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC000020494312 558379683 /nfs/dbraw/zinc/37/96/83/558379683.db2.gz HQOIYUDJQQGOLC-MRXNPFEDSA-N 1 0 424.497 3.744 40 0 HHABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000012328164 558383539 /nfs/dbraw/zinc/38/35/39/558383539.db2.gz ICZYOXMWZZFFFG-UHFFFAOYSA-N 1 0 409.505 3.580 40 0 HHABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012329921 558384919 /nfs/dbraw/zinc/38/49/19/558384919.db2.gz TYEDVSCINYRXPT-PMACEKPBSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCCC4)CC1)C[C@@H]2O ZINC000012330250 558385073 /nfs/dbraw/zinc/38/50/73/558385073.db2.gz OVCVEWHEMTXRCE-ZEQRLZLVSA-N 1 0 423.553 3.958 40 0 HHABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]CCCN2CCOCC2)c1 ZINC000022074054 558462275 /nfs/dbraw/zinc/46/22/75/558462275.db2.gz XCIMBSYQCRUCPK-UHFFFAOYSA-N 1 0 419.363 3.840 40 0 HHABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1)Nc1ccccc1 ZINC000022607398 558500931 /nfs/dbraw/zinc/50/09/31/558500931.db2.gz XQMHCQHAXMXOMU-AWEZNQCLSA-N 1 0 419.272 3.653 40 0 HHABRO C[NH+]1CCN(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000022935146 558526048 /nfs/dbraw/zinc/52/60/48/558526048.db2.gz QRCWDSJNCZRPAB-UHFFFAOYSA-N 1 0 418.006 4.000 40 0 HHABRO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]CCN1CCOCC1 ZINC000023468449 558559227 /nfs/dbraw/zinc/55/92/27/558559227.db2.gz IRMHDKWPSSKOSU-UHFFFAOYSA-N 1 0 423.326 3.589 40 0 HHABRO COc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1OC ZINC000028220631 558693082 /nfs/dbraw/zinc/69/30/82/558693082.db2.gz SBEUILKAJUHRCY-IBGZPJMESA-N 1 0 416.949 3.928 40 0 HHABRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cn(CC(=O)NCCOC)c2ccccc12 ZINC000036741529 558802238 /nfs/dbraw/zinc/80/22/38/558802238.db2.gz LTOWTZPNJVKTBO-FQEVSTJZSA-N 1 0 411.571 3.975 40 0 HHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 ZINC000038856623 558819426 /nfs/dbraw/zinc/81/94/26/558819426.db2.gz UQFMOLPJYOLXIL-KRWDZBQOSA-N 1 0 415.559 3.567 40 0 HHABRO Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2)on1 ZINC000019123865 558844281 /nfs/dbraw/zinc/84/42/81/558844281.db2.gz RUCBMQDHLNLOSC-UHFFFAOYSA-N 1 0 419.529 3.764 40 0 HHABRO COc1ccc(C)cc1C[NH+]1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000019133342 558845773 /nfs/dbraw/zinc/84/57/73/558845773.db2.gz JTKVSXNOCCKINE-FUHWJXTLSA-N 1 0 409.456 3.795 40 0 HHABRO O=C([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019332323 558868772 /nfs/dbraw/zinc/86/87/72/558868772.db2.gz QZEFSQAETYTBBX-VXKWHMMOSA-N 1 0 419.997 3.580 40 0 HHABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1)N1CCC(O)CC1 ZINC000019376376 558882390 /nfs/dbraw/zinc/88/23/90/558882390.db2.gz QHSCLKQYAGUKNC-FQEVSTJZSA-N 1 0 419.525 3.804 40 0 HHABRO CC(C)c1ccc(C[NH+]2CCC(c3cc(C(=O)N4CCC[C@@H](O)C4)on3)CC2)cc1 ZINC000019453182 558890546 /nfs/dbraw/zinc/89/05/46/558890546.db2.gz MCQCJLITEGENMT-OAQYLSRUSA-N 1 0 411.546 3.775 40 0 HHABRO C[NH+](C)CC(C)(C)CNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000057810322 558890666 /nfs/dbraw/zinc/89/06/66/558890666.db2.gz CVRGDKUQZVHEFL-UHFFFAOYSA-N 1 0 409.578 3.689 40 0 HHABRO COCCOc1ccc(C[NH+]2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1 ZINC000019454245 558891299 /nfs/dbraw/zinc/89/12/99/558891299.db2.gz MAXURXPNOOUVJB-UHFFFAOYSA-N 1 0 411.546 3.689 40 0 HHABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019462584 558894101 /nfs/dbraw/zinc/89/41/01/558894101.db2.gz BZHUICHNRVUVJW-CALCHBBNSA-N 1 0 409.578 3.942 40 0 HHABRO CCCN1CC[N@H+](CC2=CCCOC2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503049 558900349 /nfs/dbraw/zinc/90/03/49/558900349.db2.gz GZBYXHCZHLNRRA-VWLOTQADSA-N 1 0 419.569 3.808 40 0 HHABRO CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)cc2N1 ZINC000019520596 558901739 /nfs/dbraw/zinc/90/17/39/558901739.db2.gz FEWVYYQVKIAZAK-BPQIPLTHSA-N 1 0 423.483 3.922 40 0 HHABRO CCc1cc(C(F)(F)F)nc(NC[C@H]2C[N@H+](C)C[C@@H]2c2ccc(OC)c(OC)c2)n1 ZINC000019522582 558904006 /nfs/dbraw/zinc/90/40/06/558904006.db2.gz LDMKHHSEDZYTMV-GOEBONIOSA-N 1 0 424.467 3.832 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cc4nc(C)cc(C(F)(F)F)c4c(=O)[nH]3)C2)cn1 ZINC000019524914 558906305 /nfs/dbraw/zinc/90/63/05/558906305.db2.gz VBICXSKGHXSTSK-OAHLLOKOSA-N 1 0 419.451 3.846 40 0 HHABRO COc1ccc(OC)c(C[NH+]2CCC([C@H](NC(=O)C3CC3)c3ccccn3)CC2)c1 ZINC000019551460 558915679 /nfs/dbraw/zinc/91/56/79/558915679.db2.gz STHOONHHKPTDFJ-QHCPKHFHSA-N 1 0 409.530 3.578 40 0 HHABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)c3ccccn3)c3ccccn3)CC2)cc1 ZINC000019554970 558917921 /nfs/dbraw/zinc/91/79/21/558917921.db2.gz YBDGEJHAFQGZOX-XMMPIXPASA-N 1 0 416.525 3.869 40 0 HHABRO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019555017 558917982 /nfs/dbraw/zinc/91/79/82/558917982.db2.gz KNDVENOQDWDVPU-YADARESESA-N 1 0 406.505 3.810 40 0 HHABRO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2F)c(C)n1Cc1cccnc1 ZINC000019567523 558926656 /nfs/dbraw/zinc/92/66/56/558926656.db2.gz ZZEOBGKMYFDOFJ-VWNXMTODSA-N 1 0 406.505 3.797 40 0 HHABRO CNc1ncc(C[NH+]2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)cn1 ZINC000019569137 558928261 /nfs/dbraw/zinc/92/82/61/558928261.db2.gz QHCMSYVMNRTOSE-UHFFFAOYSA-N 1 0 406.412 3.761 40 0 HHABRO C[NH+]1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2N)CC1 ZINC000072229293 558931959 /nfs/dbraw/zinc/93/19/59/558931959.db2.gz QZDABCJIPFDWEV-UHFFFAOYSA-N 1 0 423.742 3.689 40 0 HHABRO CCCc1ncc(C[N@@H+]2CCCC[C@H]3CN(C(=O)CCc4ccccc4)C[C@H]32)cn1 ZINC000072330670 558935092 /nfs/dbraw/zinc/93/50/92/558935092.db2.gz HGRUJJZJWOODGW-XZOQPEGZSA-N 1 0 406.574 3.875 40 0 HHABRO COc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000072371729 558958614 /nfs/dbraw/zinc/95/86/14/558958614.db2.gz HXNQHWYRNQQLME-IBGZPJMESA-N 1 0 421.545 3.943 40 0 HHABRO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371739 558958991 /nfs/dbraw/zinc/95/89/91/558958991.db2.gz USRYCXSWCIIBBN-KRWDZBQOSA-N 1 0 409.509 3.621 40 0 HHABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3cnc(C)s3)c2)cn1 ZINC000019690812 558960359 /nfs/dbraw/zinc/96/03/59/558960359.db2.gz WUFBDKYFPUBBNB-NRFANRHFSA-N 1 0 407.543 3.914 40 0 HHABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)c1 ZINC000019694082 558962364 /nfs/dbraw/zinc/96/23/64/558962364.db2.gz QGVBRYHMUQSHGU-IBGZPJMESA-N 1 0 420.561 3.640 40 0 HHABRO Cc1noc(CCC(=O)N2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)n1 ZINC000072375059 558963382 /nfs/dbraw/zinc/96/33/82/558963382.db2.gz KCONFNHNCJOFQO-QGZVFWFLSA-N 1 0 406.490 3.559 40 0 HHABRO COc1cccc(CN2CC=CC[C@H](C3CC[NH+](Cc4cn(C)nc4C)CC3)C2=O)c1 ZINC000019698507 558966216 /nfs/dbraw/zinc/96/62/16/558966216.db2.gz MKMMPPKOQICWAV-XMMPIXPASA-N 1 0 422.573 3.554 40 0 HHABRO Cc1ccc([C@@H](CNC(=O)c2cnn3c2nc(C)cc3C(F)F)[NH+]2CCCC2)cc1 ZINC000072391757 558971461 /nfs/dbraw/zinc/97/14/61/558971461.db2.gz BQWCPLYMBHKFKL-LJQANCHMSA-N 1 0 413.472 3.851 40 0 HHABRO COCCOc1ccc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000072395168 558974110 /nfs/dbraw/zinc/97/41/10/558974110.db2.gz KUHMNDYPNNKKKC-XZOQPEGZSA-N 1 0 407.514 3.827 40 0 HHABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072395947 558975048 /nfs/dbraw/zinc/97/50/48/558975048.db2.gz HHRUONSWPKAVKU-XMMPIXPASA-N 1 0 404.514 3.698 40 0 HHABRO O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100720 559024273 /nfs/dbraw/zinc/02/42/73/559024273.db2.gz URFGISSVDRWIDQ-RBBKRZOGSA-N 1 0 406.954 3.745 40 0 HHABRO O=C(CC1CCOCC1)NC1CC2(C1)CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000585103200 559026487 /nfs/dbraw/zinc/02/64/87/559026487.db2.gz MWLFTBLNWYTFGF-UHFFFAOYSA-N 1 0 422.573 3.754 40 0 HHABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4ccc(F)cc4F)C[C@@H]32)no1 ZINC000585109781 559029433 /nfs/dbraw/zinc/02/94/33/559029433.db2.gz TYBZBYRNWDKPRF-CNNODRBYSA-N 1 0 409.436 3.962 40 0 HHABRO COc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)cc1 ZINC000096036985 559090731 /nfs/dbraw/zinc/09/07/31/559090731.db2.gz JXZNUHBVGDEKGI-UHFFFAOYSA-N 1 0 402.542 3.995 40 0 HHABRO CCCc1ccc(C(=O)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC000096239944 559103456 /nfs/dbraw/zinc/10/34/56/559103456.db2.gz CHDZVSFZRLVLLU-UHFFFAOYSA-N 1 0 407.558 3.789 40 0 HHABRO COc1ncccc1CN1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096242463 559103959 /nfs/dbraw/zinc/10/39/59/559103959.db2.gz MNBSBHPNMPHMFM-UHFFFAOYSA-N 1 0 407.558 3.619 40 0 HHABRO CCN(CC[NH+](C)C)C(=O)c1cnc(-c2noc3cc(NCC4CC4)ccc32)s1 ZINC000096266610 559107861 /nfs/dbraw/zinc/10/78/61/559107861.db2.gz CSFIFRCTVQLIGM-UHFFFAOYSA-N 1 0 413.547 3.797 40 0 HHABRO O=C1CO[C@]2(CN1CCc1ccccc1)CCC[N@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000585261834 559109478 /nfs/dbraw/zinc/10/94/78/559109478.db2.gz SWKINMWTXOWRIH-AREMUKBSSA-N 1 0 417.553 3.994 40 0 HHABRO Cc1cc(O[C@H]2C[N@H+](Cc3ccc(OCC(C)(C)O)cc3)C[C@@H]2O)cc(C)c1Cl ZINC000585269173 559115228 /nfs/dbraw/zinc/11/52/28/559115228.db2.gz SQPDHXUWSXKKGZ-SFTDATJTSA-N 1 0 419.949 3.731 40 0 HHABRO Cc1nccn1CCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585272040 559117784 /nfs/dbraw/zinc/11/77/84/559117784.db2.gz KXZZASVJWQLWQW-VWLOTQADSA-N 1 0 421.541 3.676 40 0 HHABRO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000072358894 559186098 /nfs/dbraw/zinc/18/60/98/559186098.db2.gz NCNIJLRRLICVKC-HXUWFJFHSA-N 1 0 402.498 3.501 40 0 HHABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccccc3)cc2c1 ZINC000000880691 560539693 /nfs/dbraw/zinc/53/96/93/560539693.db2.gz WXLLVEQLBGOHJO-UHFFFAOYSA-N 1 0 424.570 3.687 40 0 HHABRO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000920026 560555257 /nfs/dbraw/zinc/55/52/57/560555257.db2.gz KLRNHKQJHMUKNA-UHFFFAOYSA-N 1 0 408.571 3.906 40 0 HHABRO Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)cc12 ZINC000004132927 560600186 /nfs/dbraw/zinc/60/01/86/560600186.db2.gz WUPBRRKBUZOWDL-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004133722 560600741 /nfs/dbraw/zinc/60/07/41/560600741.db2.gz OMVJKORLDXWBMR-UHFFFAOYSA-N 1 0 402.608 3.655 40 0 HHABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCC(C)C ZINC000004133763 560600749 /nfs/dbraw/zinc/60/07/49/560600749.db2.gz MELUYKPFLOLDHA-UHFFFAOYSA-N 1 0 416.635 3.819 40 0 HHABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000409058308 560670647 /nfs/dbraw/zinc/67/06/47/560670647.db2.gz NOYBFPHEJULXHE-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)ccc1Cl ZINC000014671949 560847776 /nfs/dbraw/zinc/84/77/76/560847776.db2.gz HKXVMSYONLHLLP-QGZVFWFLSA-N 1 0 402.281 3.939 40 0 HHABRO Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140977 560881444 /nfs/dbraw/zinc/88/14/44/560881444.db2.gz YBWVRNARCXQZPD-DEOSSOPVSA-N 1 0 416.573 3.679 40 0 HHABRO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH2+][C@H]3CCCC[C@@H]3C)cc21 ZINC000006732823 568458677 /nfs/dbraw/zinc/45/86/77/568458677.db2.gz JASNWUQUBISMEN-KNBMTAEXSA-N 1 0 402.535 3.571 40 0 HHABRO Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3Cc3cccs3)C(C)C)CC2)c1 ZINC000057671538 568495241 /nfs/dbraw/zinc/49/52/41/568495241.db2.gz CDJJAOBUGSXYAX-OAQYLSRUSA-N 1 0 410.591 3.919 40 0 HHABRO CCC[N@H+](CCN1CCN(c2ccccc2OC)CC1)[C@H]1CCc2ncsc2C1 ZINC000095641927 568510000 /nfs/dbraw/zinc/51/00/00/568510000.db2.gz RSWFSOOHVWOZQI-IBGZPJMESA-N 1 0 414.619 3.543 40 0 HHABRO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1C(F)(F)F ZINC000025224577 568517537 /nfs/dbraw/zinc/51/75/37/568517537.db2.gz DDDGXXJWYHOEHQ-QGZVFWFLSA-N 1 0 401.388 3.651 40 0 HHABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccco1 ZINC000223259065 568543051 /nfs/dbraw/zinc/54/30/51/568543051.db2.gz TXUTUYUQGYDOOH-FCHUYYIVSA-N 1 0 423.586 3.675 40 0 HHABRO CCCc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ncnc2n1 ZINC000026417129 568547741 /nfs/dbraw/zinc/54/77/41/568547741.db2.gz RGOVCMHUMCQSEH-UHFFFAOYSA-N 1 0 412.541 3.988 40 0 HHABRO c1nc2nc3c(c(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n2n1)CCC3 ZINC000026521343 568550246 /nfs/dbraw/zinc/55/02/46/568550246.db2.gz ZQUXITKMKLMMDB-UHFFFAOYSA-N 1 0 410.525 3.525 40 0 HHABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccccn1 ZINC000223525958 568550924 /nfs/dbraw/zinc/55/09/24/568550924.db2.gz JMMSNTZUDIXRJQ-FCHUYYIVSA-N 1 0 412.522 3.835 40 0 HHABRO Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCC[NH+]1CCCCC1 ZINC000224068817 568568446 /nfs/dbraw/zinc/56/84/46/568568446.db2.gz OEHDHODCMIBJJQ-FXBPSFAMSA-N 1 0 411.571 3.820 40 0 HHABRO COc1ccc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCC3)ccc2c1 ZINC000224803642 568597637 /nfs/dbraw/zinc/59/76/37/568597637.db2.gz DCYBJFUBKXAYSY-UHFFFAOYSA-N 1 0 410.539 3.923 40 0 HHABRO Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(I)c1 ZINC000225025530 568609818 /nfs/dbraw/zinc/60/98/18/568609818.db2.gz ZHBSZTCPZJRVID-GJZGRUSLSA-N 1 0 414.331 3.697 40 0 HHABRO COc1cc(C[NH+]2CCC(NC(=S)Nc3ccccc3)CC2)cc(OC)c1OC ZINC000225227244 568624699 /nfs/dbraw/zinc/62/46/99/568624699.db2.gz HATASWYVVUEYLK-UHFFFAOYSA-N 1 0 415.559 3.663 40 0 HHABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c2cccnc12 ZINC000225744571 568670353 /nfs/dbraw/zinc/67/03/53/568670353.db2.gz RTGMTGWOYHYOBF-UHFFFAOYSA-N 1 0 406.555 3.978 40 0 HHABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225743622 568670483 /nfs/dbraw/zinc/67/04/83/568670483.db2.gz ORIWSKNCIYZMEO-UHFFFAOYSA-N 1 0 411.571 3.907 40 0 HHABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000225743665 568670576 /nfs/dbraw/zinc/67/05/76/568670576.db2.gz IEDVFWIQYGJBBW-UHFFFAOYSA-N 1 0 411.571 3.907 40 0 HHABRO 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 568775890 /nfs/dbraw/zinc/77/58/90/568775890.db2.gz LPPMVEHGZWXTBA-FAJBIJEISA-N 1 0 424.570 3.741 40 0 HHABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257201019 568776401 /nfs/dbraw/zinc/77/64/01/568776401.db2.gz AFVHOGQASGWDEB-QGZVFWFLSA-N 1 0 418.538 3.793 40 0 HHABRO Nc1nc2c(c(N)n1)C[C@]1(CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000257211477 568779314 /nfs/dbraw/zinc/77/93/14/568779314.db2.gz BZABKBXNAPDSEK-XMMPIXPASA-N 1 0 401.514 3.668 40 0 HHABRO CN1C(=O)CO[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@@H]21 ZINC000257230355 568784941 /nfs/dbraw/zinc/78/49/41/568784941.db2.gz GBYCBBUXUJINFL-UNMCSNQZSA-N 1 0 414.933 3.741 40 0 HHABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257244505 568788713 /nfs/dbraw/zinc/78/87/13/568788713.db2.gz ILQBPWPXGMPFBW-GOSISDBHSA-N 1 0 400.954 3.803 40 0 HHABRO C[NH+](C)CC(C)(C)CNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257247254 568789413 /nfs/dbraw/zinc/78/94/13/568789413.db2.gz IYDYOOHQGCITLM-UHFFFAOYSA-N 1 0 409.574 3.792 40 0 HHABRO Cc1cccn2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCC[C@H]5[NH2+][C@@H]4Cc3ccccc3)nc12 ZINC000257295998 568803137 /nfs/dbraw/zinc/80/31/37/568803137.db2.gz RAUDAOXZNGMCEH-RDFVAKDXSA-N 1 0 414.553 3.999 40 0 HHABRO C[C@H](CCC(=O)N1CCC(c2cncc(Nc3ccccn3)n2)CC1)[NH+]1CCCC1 ZINC000257296056 568803377 /nfs/dbraw/zinc/80/33/77/568803377.db2.gz RBAZPEMROLQCSP-GOSISDBHSA-N 1 0 408.550 3.586 40 0 HHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 ZINC000257301242 568804672 /nfs/dbraw/zinc/80/46/72/568804672.db2.gz RXQATGUDDKOXCQ-XMSQKQJNSA-N 1 0 406.954 3.745 40 0 HHABRO Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)n1 ZINC000257323601 568811356 /nfs/dbraw/zinc/81/13/56/568811356.db2.gz WLAQEGACPWBLQQ-LYVDORBWSA-N 1 0 404.558 3.874 40 0 HHABRO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](CC2CC2)CCO1)N1CCCCC1 ZINC000257329954 568813010 /nfs/dbraw/zinc/81/30/10/568813010.db2.gz XMELQYUFJXBFJU-JOCHJYFZSA-N 1 0 406.954 3.602 40 0 HHABRO 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 568814133 /nfs/dbraw/zinc/81/41/33/568814133.db2.gz YDUGFOPLWIWUNL-CZLVRFMKSA-N 1 0 420.557 3.579 40 0 HHABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3ccc(N)nc3)CC2)[nH+]1 ZINC000257338208 568815425 /nfs/dbraw/zinc/81/54/25/568815425.db2.gz YWLCRSCNBXEHEQ-UHFFFAOYSA-N 1 0 406.465 3.665 40 0 HHABRO CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCC[NH+](C)C)cc4)OCC[C@@]31C2 ZINC000257342069 568816675 /nfs/dbraw/zinc/81/66/75/568816675.db2.gz ZMYFNZCDDWXMKI-UVFBAWLLSA-N 1 0 400.563 3.646 40 0 HHABRO Cc1nc2ccccn2c1-c1nnc2sc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)nn21 ZINC000227144089 568827973 /nfs/dbraw/zinc/82/79/73/568827973.db2.gz QXKJKGJVBQOFIS-QGZVFWFLSA-N 1 0 415.526 3.798 40 0 HHABRO COc1cccc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306123321 568886557 /nfs/dbraw/zinc/88/65/57/568886557.db2.gz AKBITFNHJSSZKG-XMMPIXPASA-N 1 0 413.525 3.894 40 0 HHABRO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccc(F)cc2)c1 ZINC000306128278 568891266 /nfs/dbraw/zinc/89/12/66/568891266.db2.gz GVVMNHSXINQNPB-XZOQPEGZSA-N 1 0 405.473 3.717 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc(C)s4)C[C@@H]32)cc1 ZINC000306130897 568893386 /nfs/dbraw/zinc/89/33/86/568893386.db2.gz JSFIJIDXVJLRLT-YADHBBJMSA-N 1 0 407.539 3.948 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc(C)s4)C[C@H]32)cc1 ZINC000306130895 568893482 /nfs/dbraw/zinc/89/34/82/568893482.db2.gz JSFIJIDXVJLRLT-FGZHOGPDSA-N 1 0 407.539 3.948 40 0 HHABRO c1cncc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306134611 568896521 /nfs/dbraw/zinc/89/65/21/568896521.db2.gz NTMPLAMSDFSABU-FQEVSTJZSA-N 1 0 413.481 3.900 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000306134829 568896670 /nfs/dbraw/zinc/89/66/70/568896670.db2.gz NZFNHQRYYVTVMS-GOTSBHOMSA-N 1 0 405.473 3.717 40 0 HHABRO COc1ccccc1C[N@@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136584 568898392 /nfs/dbraw/zinc/89/83/92/568898392.db2.gz PXNVXXBFUVDWLA-OFVILXPXSA-N 1 0 422.573 3.701 40 0 HHABRO COc1ccc(C[N@@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306137258 568899056 /nfs/dbraw/zinc/89/90/56/568899056.db2.gz QQUWORYBDAPESN-DEOSSOPVSA-N 1 0 413.525 3.894 40 0 HHABRO CCc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306137667 568899627 /nfs/dbraw/zinc/89/96/27/568899627.db2.gz RCTCCDNDTHMQGQ-VXKWHMMOSA-N 1 0 406.555 3.897 40 0 HHABRO [NH3+]C[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000242677072 568969286 /nfs/dbraw/zinc/96/92/86/568969286.db2.gz SXWKMLYESVXEBA-OAGGEKHMSA-N 1 0 400.725 3.617 40 0 HHABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328965230 568970068 /nfs/dbraw/zinc/97/00/68/568970068.db2.gz CAYDSQGJSQRISQ-QGZVFWFLSA-N 1 0 405.340 3.539 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2Cl)cc(C(F)(F)F)n1 ZINC000329002768 568972117 /nfs/dbraw/zinc/97/21/17/568972117.db2.gz KIRKIUMNXVQURJ-UHFFFAOYSA-N 1 0 408.255 3.753 40 0 HHABRO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000329070878 568975951 /nfs/dbraw/zinc/97/59/51/568975951.db2.gz ZKOQCDTWZWFDCQ-ZDUSSCGKSA-N 1 0 405.340 3.718 40 0 HHABRO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C(C)(C)C)c1 ZINC000027531064 569047383 /nfs/dbraw/zinc/04/73/83/569047383.db2.gz YXKZGVIKVVBUAB-OAQYLSRUSA-N 1 0 400.538 3.994 40 0 HHABRO COc1cc(Br)c(C[C@@H]2[NH2+]CCc3cc4c(cc32)OCO4)cc1OC ZINC000001668732 569143996 /nfs/dbraw/zinc/14/39/96/569143996.db2.gz AOQIPBCFAFHMRM-HNNXBMFYSA-N 1 0 406.276 3.625 40 0 HHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000019496524 569345576 /nfs/dbraw/zinc/34/55/76/569345576.db2.gz IVJYZQQPTKUMQX-WMWXMDJXSA-N 1 0 400.563 3.824 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000019552253 569345624 /nfs/dbraw/zinc/34/56/24/569345624.db2.gz RRHPAUUBXJDDLQ-WMZHIEFXSA-N 1 0 409.530 3.578 40 0 HHABRO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000019498197 569345712 /nfs/dbraw/zinc/34/57/12/569345712.db2.gz OHARHGKLGGCDRI-NNPDTBDGSA-N 1 0 423.557 3.511 40 0 HHABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000034702231 569351523 /nfs/dbraw/zinc/35/15/23/569351523.db2.gz AQZTVUFXPKXZMT-UHFFFAOYSA-N 1 0 423.369 3.872 40 0 HHABRO C[NH+](C)CCNc1nc(NNc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 ZINC000328965985 571304746 /nfs/dbraw/zinc/30/47/46/571304746.db2.gz CIAAHXBGPJTEDP-UHFFFAOYSA-N 1 0 409.243 4.215 40 0 HHABRO Cc1cc(Br)ccc1Nc1cc(C(F)(F)F)nc(NCC[NH+](C)C)n1 ZINC000328968038 571305696 /nfs/dbraw/zinc/30/56/96/571305696.db2.gz CWZJXLBFANUDRR-UHFFFAOYSA-N 1 0 418.261 4.283 40 0 HHABRO CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329035803 571309758 /nfs/dbraw/zinc/30/97/58/571309758.db2.gz RFLOQCWFXIMUDP-UHFFFAOYSA-N 1 0 402.542 4.441 40 0 HHABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000020503651 575370251 /nfs/dbraw/zinc/37/02/51/575370251.db2.gz DGNBSYNQDZTEJJ-DLBZAZTESA-N 1 0 423.513 3.921 40 0 biogenic,in-vitro HHABRO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1OC ZINC000044857223 523391375 /nfs/dbraw/zinc/39/13/75/523391375.db2.gz DHZOBGQONMAIHT-ACCUITESSA-N 1 0 410.514 3.638 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000072398629 527009570 /nfs/dbraw/zinc/00/95/70/527009570.db2.gz ZZRRMPGGAFROFJ-XXBNENTESA-N 1 0 404.489 3.999 40 0 HHABRO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000408624053 557552020 /nfs/dbraw/zinc/55/20/20/557552020.db2.gz ASDUDVJNRBQTJE-UHFFFAOYSA-N 1 0 402.951 3.527 40 0 HHABRO O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010691441 558259928 /nfs/dbraw/zinc/25/99/28/558259928.db2.gz BYNVQVYLZJZPJX-NRFANRHFSA-N 1 0 421.541 3.834 40 0 HHABRO CCC[N@@H+]1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 ZINC000019741245 558261848 /nfs/dbraw/zinc/26/18/48/558261848.db2.gz JSJMTGSQJPGDHB-IBGZPJMESA-N 1 0 408.546 3.862 40 0 HHABRO Cc1nc([C@H]2CCC[N@@H+](C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741472 558261959 /nfs/dbraw/zinc/26/19/59/558261959.db2.gz TWUCEDVRXMSFBR-FQEVSTJZSA-N 1 0 420.557 3.623 40 0 HHABRO Cc1ncc(C(=O)N2CCCC2)c(CC2CC[NH+](CCCc3ccccc3)CC2)n1 ZINC000019754918 558274055 /nfs/dbraw/zinc/27/40/55/558274055.db2.gz FKFISHAXXHFDQS-UHFFFAOYSA-N 1 0 406.574 3.908 40 0 HHABRO Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763893 558277651 /nfs/dbraw/zinc/27/76/51/558277651.db2.gz RXCRIILLXLDKCG-UHFFFAOYSA-N 1 0 405.477 3.951 40 0 HHABRO COc1ccccc1NC(=O)c1ccc(C2CC[NH+](Cc3ccncc3)CC2)nc1N ZINC000019766251 558278514 /nfs/dbraw/zinc/27/85/14/558278514.db2.gz KLVYYVFQGPCCSV-UHFFFAOYSA-N 1 0 417.513 3.699 40 0 HHABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000019772653 558280385 /nfs/dbraw/zinc/28/03/85/558280385.db2.gz NCPYNQDHIIBZIX-FBHSLPMESA-N 1 0 404.595 3.656 40 0 HHABRO O=C1N[C@]2(COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)Nc2ccc(Cl)cc21 ZINC000012085550 558321433 /nfs/dbraw/zinc/32/14/33/558321433.db2.gz ZEQLBXISTIBXFU-JOCHJYFZSA-N 1 0 415.896 3.786 40 0 HHABRO C[N@@H+](Cc1cc(-c2ccc(F)cc2)c[nH]c1=O)C[C@H](O)Cn1ccc2ccccc21 ZINC000012144081 558335695 /nfs/dbraw/zinc/33/56/95/558335695.db2.gz ICTBMDLLTRVHEH-QFIPXVFZSA-N 1 0 405.473 3.629 40 0 HHABRO C[N@H+](CCc1ccccc1)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182784 558343614 /nfs/dbraw/zinc/34/36/14/558343614.db2.gz QJBJSRPVJKJVTB-LEWJYISDSA-N 1 0 424.545 3.561 40 0 HHABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)cc1OC ZINC000012275482 558363864 /nfs/dbraw/zinc/36/38/64/558363864.db2.gz ARLHFSLWQDLOIQ-QGZVFWFLSA-N 1 0 409.534 3.715 40 0 HHABRO O=C(COc1ccc(C[NH2+]C2(c3ccccc3F)CCCC2)cc1)N1CCOCC1 ZINC000012293025 558365941 /nfs/dbraw/zinc/36/59/41/558365941.db2.gz KOEHXULNMIODOH-UHFFFAOYSA-N 1 0 412.505 3.622 40 0 HHABRO CCOCc1cc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)ccc1OC ZINC000012328376 558383471 /nfs/dbraw/zinc/38/34/71/558383471.db2.gz FMLFUHMIWQEYIN-UHFFFAOYSA-N 1 0 414.521 3.998 40 0 HHABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012329914 558384794 /nfs/dbraw/zinc/38/47/94/558384794.db2.gz TYEDVSCINYRXPT-UXHICEINSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3ccccc3F)C1)O2 ZINC000012407698 558398484 /nfs/dbraw/zinc/39/84/84/558398484.db2.gz CVVADQOJEXTCJE-DVECYGJZSA-N 1 0 412.505 3.856 40 0 HHABRO Cc1c(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000039756227 558687808 /nfs/dbraw/zinc/68/78/08/558687808.db2.gz CZJZBYJCEDEGIU-UHFFFAOYSA-N 1 0 418.541 3.644 40 0 HHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850732 558818826 /nfs/dbraw/zinc/81/88/26/558818826.db2.gz BYOHFUHOVJXHFQ-JOCHJYFZSA-N 1 0 411.977 3.896 40 0 HHABRO CC(=O)Nc1ccc(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120624 558843094 /nfs/dbraw/zinc/84/30/94/558843094.db2.gz MEXQXFGCZHYQES-ZJSXRUAMSA-N 1 0 420.513 3.596 40 0 HHABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)c4ccc(=O)n(C)c4)CC3)CCCCC2)cc1 ZINC000019208550 558847607 /nfs/dbraw/zinc/84/76/07/558847607.db2.gz WCAKIWPCBXTDIK-UHFFFAOYSA-N 1 0 421.585 3.790 40 0 HHABRO Cc1cc(C)n(-c2cccc(C[N@H+]3C[C@H]4[C@H](CC[C@]4(O)c4ccc(C)cn4)C3)c2)n1 ZINC000019216144 558850242 /nfs/dbraw/zinc/85/02/42/558850242.db2.gz NOIGNGWKBDRIDR-NMVJMZGASA-N 1 0 402.542 3.922 40 0 HHABRO COc1ccccc1-c1ccc(C[C@]2(C(N)=O)CC[N@H+](Cc3cccc(C)n3)C2)cc1 ZINC000019236135 558855161 /nfs/dbraw/zinc/85/51/61/558855161.db2.gz GASCHUMLCRDZSZ-AREMUKBSSA-N 1 0 415.537 3.986 40 0 HHABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019236852 558856197 /nfs/dbraw/zinc/85/61/97/558856197.db2.gz AHTVFMABRZJUCG-NZQKXSOJSA-N 1 0 403.530 3.507 40 0 HHABRO Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccn3)C2)C1 ZINC000019237335 558856419 /nfs/dbraw/zinc/85/64/19/558856419.db2.gz KVWQKKCKLKMUGY-PKTZIBPZSA-N 1 0 421.585 3.962 40 0 HHABRO Cc1ccnn1Cc1cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c2ccccc2n1 ZINC000019238534 558857420 /nfs/dbraw/zinc/85/74/20/558857420.db2.gz LATOOILCRJSQEU-IBGZPJMESA-N 1 0 405.546 3.638 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000019290180 558862632 /nfs/dbraw/zinc/86/26/32/558862632.db2.gz WLTHKWTYGREZHK-FQEVSTJZSA-N 1 0 402.546 3.857 40 0 HHABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019370382 558878575 /nfs/dbraw/zinc/87/85/75/558878575.db2.gz VWTYPWDKTDFTLR-RCZVLFRGSA-N 1 0 400.526 3.789 40 0 HHABRO O=C(c1cc(C2CC[NH+](Cc3cccc4ccccc43)CC2)no1)N1CCOCC1 ZINC000019376368 558882264 /nfs/dbraw/zinc/88/22/64/558882264.db2.gz WPJPSOMNBXFNOF-UHFFFAOYSA-N 1 0 405.498 3.680 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400430 558883201 /nfs/dbraw/zinc/88/32/01/558883201.db2.gz KJUIGHUOUUAGGZ-OFNKIYASSA-N 1 0 409.505 3.751 40 0 HHABRO CCCN1CC[N@H+](CC2=CCCOC2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502825 558900143 /nfs/dbraw/zinc/90/01/43/558900143.db2.gz LAXYPKJJKOTZIL-VWLOTQADSA-N 1 0 419.569 3.808 40 0 HHABRO CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000019523232 558904370 /nfs/dbraw/zinc/90/43/70/558904370.db2.gz WTLIVWUNVRUYAK-FQEVSTJZSA-N 1 0 419.569 3.980 40 0 HHABRO CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000019523226 558904460 /nfs/dbraw/zinc/90/44/60/558904460.db2.gz CERXACPPLSKRGN-LVZFUZTISA-N 1 0 417.553 3.889 40 0 HHABRO COc1ccc(OC)c(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c1 ZINC000019551481 558915541 /nfs/dbraw/zinc/91/55/41/558915541.db2.gz ZAHFOGWGQLRVAN-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO Cc1nc2sccn2c1C[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019555095 558917904 /nfs/dbraw/zinc/91/79/04/558917904.db2.gz RGPWXGHNVHVPBW-HTAPYJJXSA-N 1 0 412.534 3.872 40 0 HHABRO COc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000019563115 558923472 /nfs/dbraw/zinc/92/34/72/558923472.db2.gz NRPMOWKOMQUZTR-FGZHOGPDSA-N 1 0 408.498 3.561 40 0 HHABRO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)c1 ZINC000019565369 558925434 /nfs/dbraw/zinc/92/54/34/558925434.db2.gz NZAMGVHELKIYBQ-QHCPKHFHSA-N 1 0 401.510 3.548 40 0 HHABRO C[NH+]1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2N)CC1 ZINC000072229305 558931899 /nfs/dbraw/zinc/93/18/99/558931899.db2.gz MIZHTAIKAIHPFG-UHFFFAOYSA-N 1 0 423.742 3.689 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000072330559 558934776 /nfs/dbraw/zinc/93/47/76/558934776.db2.gz RTJVJMQQJWTSBM-YKSBVNFPSA-N 1 0 423.557 3.968 40 0 HHABRO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019580496 558936041 /nfs/dbraw/zinc/93/60/41/558936041.db2.gz QBDPYBZOCHPPHP-VWLOTQADSA-N 1 0 400.526 3.667 40 0 HHABRO Cc1noc(C)c1Cc1c(C)onc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019580948 558936654 /nfs/dbraw/zinc/93/66/54/558936654.db2.gz ODJGAWCQCFVWPT-SFHVURJKSA-N 1 0 400.523 3.659 40 0 HHABRO C[NH+](C)CCCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019582384 558937312 /nfs/dbraw/zinc/93/73/12/558937312.db2.gz CQUARCJEMXKSLK-UHFFFAOYSA-N 1 0 420.536 3.600 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019591344 558941869 /nfs/dbraw/zinc/94/18/69/558941869.db2.gz BFAYRSIVHNJRER-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346206 558943086 /nfs/dbraw/zinc/94/30/86/558943086.db2.gz ZSSNITNTBIKMEI-KRWDZBQOSA-N 1 0 413.953 3.570 40 0 HHABRO COCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019593717 558944738 /nfs/dbraw/zinc/94/47/38/558944738.db2.gz SUGUWEZSWKJAPL-QFIPXVFZSA-N 1 0 420.513 3.584 40 0 HHABRO COc1ccccc1Cc1cc(C)nc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072353814 558950921 /nfs/dbraw/zinc/95/09/21/558950921.db2.gz OOJNBWWDDUBPHI-JOCHJYFZSA-N 1 0 407.558 3.791 40 0 HHABRO CC1CCC(CNC(=O)c2cccc(CN3CCCC3=O)c2)([NH+]2CCCCC2)CC1 ZINC000019660480 558951632 /nfs/dbraw/zinc/95/16/32/558951632.db2.gz UMSRCKOQFYUHPI-UHFFFAOYSA-N 1 0 411.590 3.974 40 0 HHABRO COc1ccc(CN(C(=O)c2cn3cc(Cl)ccc3n2)C2CC[NH+](C)CC2)cc1 ZINC000019660754 558951986 /nfs/dbraw/zinc/95/19/86/558951986.db2.gz QVIYKPJJTBKACU-UHFFFAOYSA-N 1 0 412.921 3.733 40 0 HHABRO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)CC1 ZINC000019687486 558957388 /nfs/dbraw/zinc/95/73/88/558957388.db2.gz VTITZABVTJNJLY-OAQYLSRUSA-N 1 0 421.589 3.648 40 0 HHABRO Cn1cc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371567 558958728 /nfs/dbraw/zinc/95/87/28/558958728.db2.gz AUJRKLGIPWTYEA-INIZCTEOSA-N 1 0 419.451 3.773 40 0 HHABRO COc1ccc(NC(=O)CN2CCC[C@@H]2c2cc(Nc3cnccn3)cc(C)[nH+]2)cc1 ZINC000072372485 558959837 /nfs/dbraw/zinc/95/98/37/558959837.db2.gz HSQXNKJLJRNVQQ-OAQYLSRUSA-N 1 0 418.501 3.708 40 0 HHABRO Cc1c(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019694086 558962342 /nfs/dbraw/zinc/96/23/42/558962342.db2.gz GVCCAVYARGPEIK-SFHVURJKSA-N 1 0 408.525 3.770 40 0 HHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 ZINC000019694074 558962374 /nfs/dbraw/zinc/96/23/74/558962374.db2.gz NUKCDYJWCZYWBH-KRWDZBQOSA-N 1 0 408.525 3.770 40 0 HHABRO Cc1nn(C)cc1C[NH+]1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698504 558966167 /nfs/dbraw/zinc/96/61/67/558966167.db2.gz WHKIKWLAJKHHLK-QHCPKHFHSA-N 1 0 410.537 3.685 40 0 HHABRO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@H+](Cc4ccncc4)C3)on2)cc1 ZINC000072395948 558975054 /nfs/dbraw/zinc/97/50/54/558975054.db2.gz NXOXFNPGQXOZAY-RUZDIDTESA-N 1 0 418.541 3.958 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000072398552 558976011 /nfs/dbraw/zinc/97/60/11/558976011.db2.gz RRHPAUUBXJDDLQ-CVDCTZTESA-N 1 0 409.530 3.578 40 0 HHABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(N[C@H]2CCOc3ccccc32)[nH]1 ZINC000019717482 558980026 /nfs/dbraw/zinc/98/00/26/558980026.db2.gz IDYLNCGZPINDLT-FQEVSTJZSA-N 1 0 417.513 3.893 40 0 HHABRO C[C@H]1CCC[N@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)[C@H]1C ZINC000257261590 558994970 /nfs/dbraw/zinc/99/49/70/558994970.db2.gz LHZUQDZNUSSQCI-STEAMIEHSA-N 1 0 402.539 3.507 40 0 HHABRO CN(C)c1ncc(C(=O)N2CCC[C@]3(CCC[N@@H+]3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100299 559023807 /nfs/dbraw/zinc/02/38/07/559023807.db2.gz ARFRHWPOBCMXEX-QFIPXVFZSA-N 1 0 418.488 3.680 40 0 HHABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)cc1F ZINC000585104877 559027523 /nfs/dbraw/zinc/02/75/23/559027523.db2.gz VCWANOFBVQZJIV-NRFANRHFSA-N 1 0 411.521 3.672 40 0 HHABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)C[C@@H]21 ZINC000585109833 559029469 /nfs/dbraw/zinc/02/94/69/559029469.db2.gz YWSHWRDVIGUEBB-KYPHJKQUSA-N 1 0 422.569 3.860 40 0 HHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053225 559093091 /nfs/dbraw/zinc/09/30/91/559093091.db2.gz SGVQHKUZLBZCCD-OAQYLSRUSA-N 1 0 405.542 3.995 40 0 HHABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](CC3CCOCC3)CC2)Oc2ccccc21 ZINC000096053547 559093679 /nfs/dbraw/zinc/09/36/79/559093679.db2.gz ZOXJZXZCDFURNB-NRFANRHFSA-N 1 0 414.590 3.976 40 0 HHABRO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096056074 559093928 /nfs/dbraw/zinc/09/39/28/559093928.db2.gz DIVWLYLGHBCABJ-CVDCTZTESA-N 1 0 413.587 3.729 40 0 HHABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@@H]3C)s1 ZINC000096062287 559094104 /nfs/dbraw/zinc/09/41/04/559094104.db2.gz VPKFKRHGQMTUOE-OAHLLOKOSA-N 1 0 405.589 3.604 40 0 HHABRO O=C1CO[C@@]2(CN1CCc1ccccc1)CCC[N@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000585261835 559109503 /nfs/dbraw/zinc/10/95/03/559109503.db2.gz SWKINMWTXOWRIH-SANMLTNESA-N 1 0 417.553 3.994 40 0 HHABRO CC(=O)N1CCCC[C@H]2[N@H+](CC3(O)CCN(c4ccccc4C)CC3)CCC[C@@]21C ZINC000585262948 559111553 /nfs/dbraw/zinc/11/15/53/559111553.db2.gz QXPXMRUQURGWKA-RPWUZVMVSA-N 1 0 413.606 3.582 40 0 HHABRO CC(=O)N1CCCC[C@H]2[N@H+](CC3(O)CCN(c4ccc(C)cc4)CC3)CCC[C@@]21C ZINC000585262941 559111639 /nfs/dbraw/zinc/11/16/39/559111639.db2.gz QEJNCIVVWADJGL-RPWUZVMVSA-N 1 0 413.606 3.582 40 0 HHABRO C[NH2+]CC(=O)N1CCC(c2nc(C)cc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262921 559111649 /nfs/dbraw/zinc/11/16/49/559111649.db2.gz DQKBNDMXUNHQSP-UHFFFAOYSA-N 1 0 422.558 3.578 40 0 HHABRO Cc1cnc(Nc2cccc(CC3CC[NH+](Cc4cnc(N(C)C)nc4)CC3)n2)s1 ZINC000585263664 559112194 /nfs/dbraw/zinc/11/21/94/559112194.db2.gz YQXMUVJIYYJENU-UHFFFAOYSA-N 1 0 423.590 3.901 40 0 HHABRO O[C@]1(COc2ccccc2)CCC[N@H+](Cc2ccc(OCCCn3cccn3)cc2)C1 ZINC000585273696 559118324 /nfs/dbraw/zinc/11/83/24/559118324.db2.gz QKGYBCGCLYKRQT-RUZDIDTESA-N 1 0 421.541 3.758 40 0 HHABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)C=Cc3c[nH]cn3)C2)[nH+]1 ZINC000585291040 559123528 /nfs/dbraw/zinc/12/35/28/559123528.db2.gz IFLGSKQTNLBICQ-DVBCCOPCSA-N 1 0 402.502 3.980 40 0 HHABRO COc1ccc([C@@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CCN2C)cc1 ZINC000257249629 559284600 /nfs/dbraw/zinc/28/46/00/559284600.db2.gz JJDBVFLUVKMKBA-DEOSSOPVSA-N 1 0 421.585 3.813 40 0 HHABRO Cc1cccc2cc(CN(CC[NH+]3CCCC3)C(=O)Nc3ccccc3)c(=O)[nH]c12 ZINC000001378314 560582066 /nfs/dbraw/zinc/58/20/66/560582066.db2.gz PYNHPXPNOURVGK-UHFFFAOYSA-N 1 0 404.514 3.966 40 0 HHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000004133452 560600534 /nfs/dbraw/zinc/60/05/34/560600534.db2.gz JGXUUEVGXAQVIM-GOSISDBHSA-N 1 0 422.598 3.836 40 0 HHABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NCC(C)C)cc2c1 ZINC000004133680 560600762 /nfs/dbraw/zinc/60/07/62/560600762.db2.gz AMQCHMFUSDPILD-UHFFFAOYSA-N 1 0 416.635 3.765 40 0 HHABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000004161987 560602083 /nfs/dbraw/zinc/60/20/83/560602083.db2.gz RIKWMSLPGKMTOX-UHFFFAOYSA-N 1 0 408.571 3.987 40 0 HHABRO CC[NH+](CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)NCc1ccccc1 ZINC000004231187 560602915 /nfs/dbraw/zinc/60/29/15/560602915.db2.gz JKKQHONGUKAUEG-UHFFFAOYSA-N 1 0 420.557 3.890 40 0 HHABRO CCOC(=O)C1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000409026960 560668099 /nfs/dbraw/zinc/66/80/99/560668099.db2.gz KTJQJBWBAVEYSY-UHFFFAOYSA-N 1 0 406.526 3.660 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409057578 560670585 /nfs/dbraw/zinc/67/05/85/560670585.db2.gz HMDSIOSNZSDZIU-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 ZINC000409061381 560671586 /nfs/dbraw/zinc/67/15/86/560671586.db2.gz WUMKTOUASLIKLY-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3ccc(OC)cc3)o2)c1 ZINC000007540752 560751588 /nfs/dbraw/zinc/75/15/88/560751588.db2.gz PQMYNPVOFFEOHQ-UHFFFAOYSA-N 1 0 409.438 3.818 40 0 HHABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000010544245 560770358 /nfs/dbraw/zinc/77/03/58/560770358.db2.gz GHOLGJYYUCVBPS-KRWDZBQOSA-N 1 0 403.386 3.523 40 0 HHABRO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020141121 560881384 /nfs/dbraw/zinc/88/13/84/560881384.db2.gz CAMIYSUTQMBXFL-NRFANRHFSA-N 1 0 400.546 3.652 40 0 HHABRO COc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)n2)cc1 ZINC000219407038 568491401 /nfs/dbraw/zinc/49/14/01/568491401.db2.gz XDETVSKQXHBQRQ-UHFFFAOYSA-N 1 0 420.513 3.582 40 0 HHABRO O=C(NCCCN1CCCc2ccccc21)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000219426950 568491841 /nfs/dbraw/zinc/49/18/41/568491841.db2.gz SFXGNQGLQNDVRJ-UHFFFAOYSA-N 1 0 409.549 3.997 40 0 HHABRO CC(C)C[C@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929729 568500609 /nfs/dbraw/zinc/50/06/09/568500609.db2.gz OYNQIALRDYCSBI-HXUWFJFHSA-N 1 0 402.612 3.820 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000223236171 568541986 /nfs/dbraw/zinc/54/19/86/568541986.db2.gz UGLSOYXORLSVSJ-VXKWHMMOSA-N 1 0 423.561 3.936 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000223248409 568542583 /nfs/dbraw/zinc/54/25/83/568542583.db2.gz BWRLCRXHOYPSKG-FGZHOGPDSA-N 1 0 405.571 3.797 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000223278635 568543795 /nfs/dbraw/zinc/54/37/95/568543795.db2.gz FGMUWQWXXPBINH-LEWJYISDSA-N 1 0 409.534 3.546 40 0 HHABRO CCc1cc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC ZINC000223688760 568556276 /nfs/dbraw/zinc/55/62/76/568556276.db2.gz KBNZZCVURDQLJK-UHFFFAOYSA-N 1 0 404.532 3.531 40 0 HHABRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224419834 568580823 /nfs/dbraw/zinc/58/08/23/568580823.db2.gz TYBAQKQSSABVHX-FUHWJXTLSA-N 1 0 400.494 3.932 40 0 HHABRO CCc1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1OC ZINC000224698438 568592637 /nfs/dbraw/zinc/59/26/37/568592637.db2.gz QWUSZQGIPOLVGJ-UHFFFAOYSA-N 1 0 402.560 3.722 40 0 HHABRO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000225269610 568627040 /nfs/dbraw/zinc/62/70/40/568627040.db2.gz SNYQGNYXQMKKTH-IBGZPJMESA-N 1 0 400.906 3.508 40 0 HHABRO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000225269574 568627145 /nfs/dbraw/zinc/62/71/45/568627145.db2.gz SNYQGNYXQMKKTH-LJQANCHMSA-N 1 0 400.906 3.508 40 0 HHABRO Cc1cccc2nc(C(=O)N3[C@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[NH2+]4)cn21 ZINC000257203563 568777148 /nfs/dbraw/zinc/77/71/48/568777148.db2.gz AQRGFADJBYJHOQ-PPINEWEDSA-N 1 0 414.553 3.999 40 0 HHABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)COc1ccc(F)cc1)[C@@H]3Cc1ccccc1 ZINC000257208630 568778670 /nfs/dbraw/zinc/77/86/70/568778670.db2.gz BMXIMRSPBIZEPV-XRTSLUGZSA-N 1 0 408.517 3.947 40 0 HHABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)c1n[nH]c2ccccc21)[C@H]3Cc1ccccc1 ZINC000257219867 568782074 /nfs/dbraw/zinc/78/20/74/568782074.db2.gz DINZSXQFCSQVOE-ZWCDFLAXSA-N 1 0 400.526 3.919 40 0 HHABRO CCN1CC[N@H+](Cc2ccc(O)cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257282383 568799087 /nfs/dbraw/zinc/79/90/87/568799087.db2.gz OTOCTCCIIPZHIM-QHCPKHFHSA-N 1 0 415.537 3.977 40 0 HHABRO c1cnc2cccc(C[C@H]3COCC[N@H+](Cc4ccnc(N5CCCCC5)n4)C3)c2c1 ZINC000257284022 568799513 /nfs/dbraw/zinc/79/95/13/568799513.db2.gz PAXYGWULZFEWDU-HXUWFJFHSA-N 1 0 417.557 3.706 40 0 HHABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccc1O ZINC000257321598 568810885 /nfs/dbraw/zinc/81/08/85/568810885.db2.gz WCIFUUNCCVOYIV-IOXNLNJLSA-N 1 0 405.542 3.876 40 0 HHABRO Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n1 ZINC000257332413 568813784 /nfs/dbraw/zinc/81/37/84/568813784.db2.gz XXGDQRBMYILOBM-ACUMWEPGSA-N 1 0 406.574 3.633 40 0 HHABRO C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)CC1 ZINC000257343020 568816939 /nfs/dbraw/zinc/81/69/39/568816939.db2.gz ZRBWPVUONSXYIR-QFIPXVFZSA-N 1 0 409.549 3.957 40 0 HHABRO CCC(CC)C[NH+]1CCC2(CC1)COCc1nnc(C(=O)Nc3ccccc3)n1C2 ZINC000306125036 568887862 /nfs/dbraw/zinc/88/78/62/568887862.db2.gz CFFKEOYCOJNMID-UHFFFAOYSA-N 1 0 411.550 3.579 40 0 HHABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)c1 ZINC000306128277 568891200 /nfs/dbraw/zinc/89/12/00/568891200.db2.gz GVVMNHSXINQNPB-PKTZIBPZSA-N 1 0 405.473 3.717 40 0 HHABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306131325 568893730 /nfs/dbraw/zinc/89/37/30/568893730.db2.gz KCAHHJJLPOIXNZ-ISKFKSNPSA-N 1 0 419.550 3.540 40 0 HHABRO Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23C[N@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139183 568900873 /nfs/dbraw/zinc/90/08/73/568900873.db2.gz SRMVJUOZJKXZBS-UYLMIGBBSA-N 1 0 412.578 3.521 40 0 HHABRO O=C(C1CCC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306140010 568901847 /nfs/dbraw/zinc/90/18/47/568901847.db2.gz UGZWZUJTFIIFQI-UHFFFAOYSA-N 1 0 420.557 3.656 40 0 HHABRO COc1cccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306143899 568905208 /nfs/dbraw/zinc/90/52/08/568905208.db2.gz YQCVWYAJPQQNCV-RCZVLFRGSA-N 1 0 422.573 3.701 40 0 HHABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218625246 568942049 /nfs/dbraw/zinc/94/20/49/568942049.db2.gz RQRWOMWEVYHYQF-QHAWAJNXSA-N 1 0 407.963 3.824 40 0 HHABRO CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328978246 568970898 /nfs/dbraw/zinc/97/08/98/568970898.db2.gz FXDDHBHAHIZFTA-SFHVURJKSA-N 1 0 424.467 3.929 40 0 HHABRO CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329001639 568972065 /nfs/dbraw/zinc/97/20/65/568972065.db2.gz KFLWKLBHLQWGRP-SFHVURJKSA-N 1 0 424.467 3.929 40 0 HHABRO CC(C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329006301 568972170 /nfs/dbraw/zinc/97/21/70/568972170.db2.gz LCPODYNXYXFZBG-UHFFFAOYSA-N 1 0 423.483 3.508 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329052587 568974676 /nfs/dbraw/zinc/97/46/76/568974676.db2.gz VCOQHNIYDFGORZ-UHFFFAOYSA-N 1 0 416.451 3.508 40 0 HHABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(c3ccc(F)cc3)CC1)C2 ZINC000035075042 569027775 /nfs/dbraw/zinc/02/77/75/569027775.db2.gz QCGIJUQOHNQJLX-YZZIRNTPSA-N 1 0 404.570 3.930 40 0 HHABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(c3ccc(F)cc3)CC1)C2 ZINC000035075043 569027808 /nfs/dbraw/zinc/02/78/08/569027808.db2.gz QCGIJUQOHNQJLX-QBTGUUFSSA-N 1 0 404.570 3.930 40 0 HHABRO CC[C@@H](OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022787650 569042757 /nfs/dbraw/zinc/04/27/57/569042757.db2.gz RCDXKNBTCDIRQZ-DHIUTWEWSA-N 1 0 402.966 3.986 40 0 HHABRO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248341458 569316777 /nfs/dbraw/zinc/31/67/77/569316777.db2.gz ZBQHRWZVSMTWRZ-UZUQRXQVSA-N 1 0 416.493 3.705 40 0 HHABRO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000009063007 569342279 /nfs/dbraw/zinc/34/22/79/569342279.db2.gz UCDHEEQXHPPFHB-UHFFFAOYSA-N 1 0 407.558 3.564 40 0 HHABRO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333193 569343883 /nfs/dbraw/zinc/34/38/83/569343883.db2.gz WSLPJHNZPZOUAJ-UHFFFAOYSA-N 1 0 409.530 3.691 40 0 HHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC1)O2 ZINC000019219274 569345321 /nfs/dbraw/zinc/34/53/21/569345321.db2.gz MQIIQCGDWOTLOZ-ZPMCFJSWSA-N 1 0 409.526 3.703 40 0 HHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000019496522 569345573 /nfs/dbraw/zinc/34/55/73/569345573.db2.gz IVJYZQQPTKUMQX-MKZXLKEFSA-N 1 0 400.563 3.824 40 0 HHABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CC[N@H+](Cc2cnc(C)s2)C1 ZINC000019703583 569347537 /nfs/dbraw/zinc/34/75/37/569347537.db2.gz ADNVGRIJMORDNE-QFIPXVFZSA-N 1 0 410.543 3.596 40 0 HHABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)Cn3nnc4ccccc43)cc2)C1 ZINC000019711826 569348123 /nfs/dbraw/zinc/34/81/23/569348123.db2.gz LIMNKWJIQYMZRW-KNQAVFIVSA-N 1 0 407.518 3.632 40 0 HHABRO Cn1nccc1C[N@@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1C(F)(F)F ZINC000019713316 569348360 /nfs/dbraw/zinc/34/83/60/569348360.db2.gz ODJFZVWUDHQABU-RTBURBONSA-N 1 0 406.452 3.595 40 0 HHABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)CC1 ZINC000033738077 569351184 /nfs/dbraw/zinc/35/11/84/569351184.db2.gz QNEIOOQGPLSDBA-DHZHZOJOSA-N 1 0 414.962 3.618 40 0 HHABRO COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(NC3CC[NH2+]CC3)c2n1 ZINC000140193221 569354471 /nfs/dbraw/zinc/35/44/71/569354471.db2.gz HHQVVIFNWLIKIX-UHFFFAOYSA-N 1 0 417.513 3.763 40 0 HHABRO CN(C)c1ccc(C=[N+]2NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000221332459 569356626 /nfs/dbraw/zinc/35/66/26/569356626.db2.gz SPXVQSHEQFSEPH-GOTSBHOMSA-O 1 0 413.501 3.609 40 0 HHABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019703462 569428747 /nfs/dbraw/zinc/42/87/47/569428747.db2.gz ZGZUUGKLGZFBOA-DEOSSOPVSA-N 1 0 405.498 3.531 40 0 HHABRO CNc1cc(CN(C)C(=O)C2(c3cccc(F)c3)CCCC2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759822 569429398 /nfs/dbraw/zinc/42/93/98/569429398.db2.gz KLAYMJJBMKPZAH-IBGZPJMESA-N 1 0 411.525 3.552 40 0 HHABRO CNc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759994 569429699 /nfs/dbraw/zinc/42/96/99/569429699.db2.gz WNZXGIFUHYIGHD-NRFANRHFSA-N 1 0 401.514 3.882 40 0 HHABRO CC(C)[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329032880 571306243 /nfs/dbraw/zinc/30/62/43/571306243.db2.gz QQXZSMCUWFQCSQ-KRWDZBQOSA-N 1 0 405.340 4.157 40 0 HHABRO CC1=C[C@@H](C[NH+]2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442649 291248720 /nfs/dbraw/zinc/24/87/20/291248720.db2.gz ZTRPCMZBZFZFGE-ONTIZHBOSA-N 1 0 410.562 3.985 40 0 biogenic,in-vitro HHABRO CCN(CC)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1 ZINC000012481948 291249654 /nfs/dbraw/zinc/24/96/54/291249654.db2.gz PNUCEOIGTGKMHQ-ROUUACIJSA-N 1 0 401.576 3.994 40 0 biogenic,in-vitro HHABRO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](Cc4ccc(OC)cc4)C3)nc2c1 ZINC000049169102 291250197 /nfs/dbraw/zinc/25/01/97/291250197.db2.gz UXGLRHSLZYCSJX-INIZCTEOSA-N 1 0 400.500 3.620 40 0 biogenic,in-vitro HHABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NC3CCCCC3)no2)cc1 ZINC000008623691 291254141 /nfs/dbraw/zinc/25/41/41/291254141.db2.gz SPZWHAOAONDXGB-OALUTQOASA-N 1 0 411.546 3.957 40 0 biogenic,in-vitro HHABRO COc1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O ZINC000077262887 291255852 /nfs/dbraw/zinc/25/58/52/291255852.db2.gz XWHQPOJMJWKSGV-AWRGLXIESA-N 1 0 408.498 3.591 40 0 biogenic,in-vitro HHABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(O)(c4cccc(C)c4)CC3)ccc21 ZINC000012291586 132357996 /nfs/dbraw/zinc/35/79/96/132357996.db2.gz WVLXMXUTDIFBCC-XMMPIXPASA-N 1 0 422.569 3.701 40 0 HHABRO CC1(C)C=C(CC(=O)N2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)CC(C)(C)[NH2+]1 ZINC000019761899 520251940 /nfs/dbraw/zinc/25/19/40/520251940.db2.gz ADGPKMGMNYRDDN-KRWDZBQOSA-N 1 0 420.557 3.517 40 0 HHABRO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)CO[C@@H]1C[C@@H]3CC[C@@]1(C)C3(C)C)CC2 ZINC000032594513 523031858 /nfs/dbraw/zinc/03/18/58/523031858.db2.gz DHFDBTZMHIWGFB-JDKSZYQJSA-N 1 0 403.563 3.654 40 0 HHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000044851744 523934926 /nfs/dbraw/zinc/93/49/26/523934926.db2.gz UOMUFNVHMUZVDK-UHFFFAOYSA-N 1 0 410.558 3.973 40 0 HHABRO CCOc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000004573489 557569158 /nfs/dbraw/zinc/56/91/58/557569158.db2.gz LCZFVNDUBJSTQE-SFHVURJKSA-N 1 0 416.905 3.602 40 0 HHABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCC(=O)NC(C)(C)C ZINC000006882445 557728711 /nfs/dbraw/zinc/72/87/11/557728711.db2.gz CCIPIHKJODKOKS-UHFFFAOYSA-N 1 0 409.530 3.802 40 0 HHABRO Cc1ccc([C@]2(O)CCN(C(=O)CC3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000019719880 558258466 /nfs/dbraw/zinc/25/84/66/558258466.db2.gz IVPJTKLZLCJHOK-SANMLTNESA-N 1 0 406.570 3.760 40 0 HHABRO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2C2CCOCC2)nc1C ZINC000019753423 558272782 /nfs/dbraw/zinc/27/27/82/558272782.db2.gz YPYQGRYKXNIROT-FQEVSTJZSA-N 1 0 410.518 3.752 40 0 HHABRO Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766593 558278748 /nfs/dbraw/zinc/27/87/48/558278748.db2.gz NHAYNTHGSPUWEX-UHFFFAOYSA-N 1 0 419.504 3.629 40 0 HHABRO CCOc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)O[C@H](C)C2 ZINC000012135196 558333539 /nfs/dbraw/zinc/33/35/39/558333539.db2.gz SLQLSONPABPDES-RGRJCUODSA-N 1 0 408.542 3.923 40 0 HHABRO C[N@@H+](Cc1cc(-c2ccc(F)cc2)c[nH]c1=O)C[C@@H](O)Cn1ccc2ccccc21 ZINC000012144080 558335628 /nfs/dbraw/zinc/33/56/28/558335628.db2.gz ICTBMDLLTRVHEH-JOCHJYFZSA-N 1 0 405.473 3.629 40 0 HHABRO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000020228406 558349561 /nfs/dbraw/zinc/34/95/61/558349561.db2.gz VBVGWPSWVXWACW-UHFFFAOYSA-N 1 0 422.928 3.879 40 0 HHABRO Nc1nc(-c2cccs2)c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000012238240 558359190 /nfs/dbraw/zinc/35/91/90/558359190.db2.gz BNHHYXUKWWYNND-OAHLLOKOSA-N 1 0 404.605 3.863 40 0 HHABRO COc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OCc1c(C)noc1C ZINC000012241335 558360372 /nfs/dbraw/zinc/36/03/72/558360372.db2.gz IBIOWXHAVJVBHT-DEOSSOPVSA-N 1 0 408.498 3.973 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3cc(C)sc3C)CC1)C[C@@H]2O ZINC000012241593 558360510 /nfs/dbraw/zinc/36/05/10/558360510.db2.gz PFTZKXRLFBVXKN-PMACEKPBSA-N 1 0 403.544 3.758 40 0 HHABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)cc1OC ZINC000012275486 558363907 /nfs/dbraw/zinc/36/39/07/558363907.db2.gz ARLHFSLWQDLOIQ-KRWDZBQOSA-N 1 0 409.534 3.715 40 0 HHABRO COc1ccccc1N1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000020494081 558379554 /nfs/dbraw/zinc/37/95/54/558379554.db2.gz ZQZBESPFWFKIIH-FQEVSTJZSA-N 1 0 407.558 3.890 40 0 HHABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012329533 558384248 /nfs/dbraw/zinc/38/42/48/558384248.db2.gz ITQPRZQOEJCCPQ-DHIUTWEWSA-N 1 0 405.494 3.930 40 0 HHABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329765 558384596 /nfs/dbraw/zinc/38/45/96/558384596.db2.gz GFKMZNTXUDFXMH-VQTJNVASSA-N 1 0 403.906 3.733 40 0 HHABRO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000012365818 558388091 /nfs/dbraw/zinc/38/80/91/558388091.db2.gz ITGGQNYEZHBJLS-BEFAXECRSA-N 1 0 403.548 3.640 40 0 HHABRO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000012365821 558388336 /nfs/dbraw/zinc/38/83/36/558388336.db2.gz ITGGQNYEZHBJLS-HNAYVOBHSA-N 1 0 403.548 3.640 40 0 HHABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(C(C)C)cc1 ZINC000020636826 558396150 /nfs/dbraw/zinc/39/61/50/558396150.db2.gz QEBLNBFSYKRZKY-YADHBBJMSA-N 1 0 419.525 3.575 40 0 HHABRO COc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccccc1F ZINC000022075625 558462442 /nfs/dbraw/zinc/46/24/42/558462442.db2.gz KTHGPXSHQUFBGI-UHFFFAOYSA-N 1 0 411.315 3.827 40 0 HHABRO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(CC)cc2)c1 ZINC000016161554 558774634 /nfs/dbraw/zinc/77/46/34/558774634.db2.gz OAFFAQKITVEKGB-UHFFFAOYSA-N 1 0 409.530 3.820 40 0 HHABRO Cc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036752906 558803015 /nfs/dbraw/zinc/80/30/15/558803015.db2.gz FBQPBSHKLNGLOW-KRWDZBQOSA-N 1 0 411.575 3.619 40 0 HHABRO COc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000038848974 558818486 /nfs/dbraw/zinc/81/84/86/558818486.db2.gz BNMDRQRVHVRAHO-IBGZPJMESA-N 1 0 416.949 3.928 40 0 HHABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)CC1 ZINC000038856619 558819395 /nfs/dbraw/zinc/81/93/95/558819395.db2.gz YODUONKDFVFIEF-UHFFFAOYSA-N 1 0 415.559 3.567 40 0 HHABRO CC(=O)N[C@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000019020015 558837623 /nfs/dbraw/zinc/83/76/23/558837623.db2.gz VJMOAWYZPUDJCW-FCHUYYIVSA-N 1 0 403.542 3.650 40 0 HHABRO Cc1cc(C)n(-c2nc(C(=O)N3CCCC[C@@H]3C[NH+]3CCCCCC3)cs2)n1 ZINC000019116444 558841877 /nfs/dbraw/zinc/84/18/77/558841877.db2.gz CWRVYJRSNALFFD-GOSISDBHSA-N 1 0 401.580 3.816 40 0 HHABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2c(C)cc4ccncc42)C3)cc1OC ZINC000019127136 558844697 /nfs/dbraw/zinc/84/46/97/558844697.db2.gz UBZMIASPQGDSMK-KEVCNVLYSA-N 1 0 421.541 3.920 40 0 HHABRO COc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1OC ZINC000019285164 558859672 /nfs/dbraw/zinc/85/96/72/558859672.db2.gz JRWQONSBUASZPQ-HXUWFJFHSA-N 1 0 418.497 3.650 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000019290169 558862645 /nfs/dbraw/zinc/86/26/45/558862645.db2.gz XJGJKLADMPNRNH-IBGZPJMESA-N 1 0 420.536 3.996 40 0 HHABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019333964 558869206 /nfs/dbraw/zinc/86/92/06/558869206.db2.gz APDWSLHLGXIDTD-SFHVURJKSA-N 1 0 406.509 3.986 40 0 HHABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CC[NH+](CC2=CCCOC2)CC1 ZINC000019370400 558878523 /nfs/dbraw/zinc/87/85/23/558878523.db2.gz WDIPOTFPPGYIAP-RUZDIDTESA-N 1 0 405.542 3.540 40 0 HHABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CC[NH+](CC2=CCCOC2)CC1 ZINC000019370398 558878570 /nfs/dbraw/zinc/87/85/70/558878570.db2.gz WDIPOTFPPGYIAP-VWLOTQADSA-N 1 0 405.542 3.540 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400433 558883160 /nfs/dbraw/zinc/88/31/60/558883160.db2.gz KJUIGHUOUUAGGZ-NFBKMPQASA-N 1 0 409.505 3.751 40 0 HHABRO O=C(CCCc1nc(-c2ccccn2)no1)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019403111 558883984 /nfs/dbraw/zinc/88/39/84/558883984.db2.gz XQCLCERTZYHLJU-IBGZPJMESA-N 1 0 411.550 3.711 40 0 HHABRO CC(C)c1ccc(C[NH+]2CCC(c3cc(C(=O)N4CCC[C@H](O)C4)on3)CC2)cc1 ZINC000019453184 558890513 /nfs/dbraw/zinc/89/05/13/558890513.db2.gz MCQCJLITEGENMT-NRFANRHFSA-N 1 0 411.546 3.775 40 0 HHABRO CC[C@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019499823 558897727 /nfs/dbraw/zinc/89/77/27/558897727.db2.gz ADSQQGFMIKJEGU-HOTGVXAUSA-N 1 0 414.575 3.554 40 0 HHABRO COc1ccccc1C[N@@H+]1CC[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019570025 558928971 /nfs/dbraw/zinc/92/89/71/558928971.db2.gz HCQJXMHRFXTDBK-RUZDIDTESA-N 1 0 401.510 3.677 40 0 HHABRO COc1ccnc(C[N@@H+]2CCC[C@@H](c3nc(C)ncc3-c3ccncc3)C2)c1OC ZINC000072334718 558935852 /nfs/dbraw/zinc/93/58/52/558935852.db2.gz YWBXXEJLLFHISX-GOSISDBHSA-N 1 0 405.502 3.639 40 0 HHABRO Cc1cc(-c2cc3nc(C4CC[NH+](Cc5cccnc5)CC4)cc(N)n3n2)c(C)o1 ZINC000072337461 558937900 /nfs/dbraw/zinc/93/79/00/558937900.db2.gz CBHCLFAJODGQNW-UHFFFAOYSA-N 1 0 402.502 3.963 40 0 HHABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584451 558938406 /nfs/dbraw/zinc/93/84/06/558938406.db2.gz WSHQXMRBELCQGR-IBGZPJMESA-N 1 0 403.530 3.993 40 0 HHABRO CNc1ncccc1C[NH+]1CCC(c2n[nH]cc2C(=O)N(C)C2CCCCC2)CC1 ZINC000019592038 558942891 /nfs/dbraw/zinc/94/28/91/558942891.db2.gz JLVIORRWUUEENM-UHFFFAOYSA-N 1 0 410.566 3.631 40 0 HHABRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000019661850 558952956 /nfs/dbraw/zinc/95/29/56/558952956.db2.gz YZHPMAAZSIJCKG-UHFFFAOYSA-N 1 0 407.905 3.586 40 0 HHABRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cccc(F)c1 ZINC000019662057 558953111 /nfs/dbraw/zinc/95/31/11/558953111.db2.gz OYMXYBYDECJXMZ-FQEVSTJZSA-N 1 0 404.913 3.946 40 0 HHABRO Cc1cnc(Nc2cc([C@H]3CCCN3C(=O)C3([NH3+])CCCCC3)nc(C)n2)s1 ZINC000072360846 558955778 /nfs/dbraw/zinc/95/57/78/558955778.db2.gz ZDFVABQRDZNXAQ-MRXNPFEDSA-N 1 0 400.552 3.619 40 0 HHABRO C[N@@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCc4ccccn4)CCOCC3)c2)C1 ZINC000072372250 558959460 /nfs/dbraw/zinc/95/94/60/558959460.db2.gz BIKCJRINNKMJFJ-JOCHJYFZSA-N 1 0 407.558 3.547 40 0 HHABRO Cc1cccnc1CNC(=O)C1(Cc2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372269 558959481 /nfs/dbraw/zinc/95/94/81/558959481.db2.gz ZSZXYEPTPWCZOB-HSZRJFAPSA-N 1 0 421.585 3.855 40 0 HHABRO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3CC(=O)NCc3ccccn3)c2)s1 ZINC000072372569 558960141 /nfs/dbraw/zinc/96/01/41/558960141.db2.gz GPSKSSWWGOANFA-HXUWFJFHSA-N 1 0 422.558 3.747 40 0 HHABRO O=C(CC[NH+]1CCCC1)N1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 ZINC000072374533 558962091 /nfs/dbraw/zinc/96/20/91/558962091.db2.gz SJVOHQWHISTWGS-NRFANRHFSA-N 1 0 418.545 3.719 40 0 HHABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(Cl)c(Cl)c4)C[C@H]32)c(OC)n1 ZINC000072392589 558972449 /nfs/dbraw/zinc/97/24/49/558972449.db2.gz PJIDDNPZCHITPG-XBHMSOGKSA-N 1 0 424.328 3.530 40 0 HHABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393082 558972817 /nfs/dbraw/zinc/97/28/17/558972817.db2.gz OYWOELBBDPNZCE-IBGZPJMESA-N 1 0 420.513 3.619 40 0 HHABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2cncn2CC)C1 ZINC000072394094 558973580 /nfs/dbraw/zinc/97/35/80/558973580.db2.gz BDPPFMLIPZQFBZ-DEOSSOPVSA-N 1 0 422.529 3.946 40 0 HHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000257367402 559017868 /nfs/dbraw/zinc/01/78/68/559017868.db2.gz IVJYZQQPTKUMQX-UQXHYBKOSA-N 1 0 400.563 3.824 40 0 HHABRO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](Cc2nc4ccccn4c2C)CC3)cs1 ZINC000585100845 559025535 /nfs/dbraw/zinc/02/55/35/559025535.db2.gz YPCFGTYINNPFGQ-QHCPKHFHSA-N 1 0 423.586 3.955 40 0 HHABRO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000585102972 559026270 /nfs/dbraw/zinc/02/62/70/559026270.db2.gz ADQTUKQBTYWPNM-JOCHJYFZSA-N 1 0 407.558 3.787 40 0 HHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053106 559092954 /nfs/dbraw/zinc/09/29/54/559092954.db2.gz PHBYMVYBLJPGBP-NRFANRHFSA-N 1 0 405.542 3.899 40 0 HHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053223 559093058 /nfs/dbraw/zinc/09/30/58/559093058.db2.gz OJUVJBRIIFFFSW-HXUWFJFHSA-N 1 0 405.542 3.995 40 0 HHABRO COCCNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053363 559093276 /nfs/dbraw/zinc/09/32/76/559093276.db2.gz IYGFSRFRLJTEHA-GOSISDBHSA-N 1 0 414.571 3.802 40 0 HHABRO Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)nc1 ZINC000096156168 559100241 /nfs/dbraw/zinc/10/02/41/559100241.db2.gz PLSRELIQVISAOE-LJQANCHMSA-N 1 0 412.497 3.675 40 0 HHABRO CC(C)CC[NH+]1CCC2(CC1)O[C@@H](C(=O)Nc1cccc(Cl)c1)Cn1ccnc12 ZINC000096262984 559106895 /nfs/dbraw/zinc/10/68/95/559106895.db2.gz JMFBMKNHLPRDBZ-LJQANCHMSA-N 1 0 416.953 3.911 40 0 HHABRO O=C1CCCC[C@]2(C[N@H+](CCOc3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)N1 ZINC000585261765 559109378 /nfs/dbraw/zinc/10/93/78/559109378.db2.gz IGNLCYXPSYPNFD-JTHBVZDNSA-N 1 0 400.469 3.872 40 0 HHABRO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000585261873 559109546 /nfs/dbraw/zinc/10/95/46/559109546.db2.gz FTBBTDMAQXSBQA-SANMLTNESA-N 1 0 415.537 3.940 40 0 HHABRO CC(=O)N1CCC([N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000585281714 559119374 /nfs/dbraw/zinc/11/93/74/559119374.db2.gz PZULPIDHAMHPNA-HXUWFJFHSA-N 1 0 415.361 3.600 40 0 HHABRO [NH3+][C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000100708845 559138194 /nfs/dbraw/zinc/13/81/94/559138194.db2.gz ANMSEIJIPACNNM-SVMVAKDDSA-N 1 0 416.529 3.705 40 0 HHABRO O[C@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022823038 559274320 /nfs/dbraw/zinc/27/43/20/559274320.db2.gz LXWJFNRCGIHCSA-HZHDVADBSA-N 1 0 419.009 3.804 40 0 HHABRO O=C1N(CCc2ccccc2)CC=CC[C@@]12C[N@H+](Cc1ccc3[nH]ccc3c1)CCO2 ZINC000257217416 559282718 /nfs/dbraw/zinc/28/27/18/559282718.db2.gz CYVODJOWKGVSOL-AREMUKBSSA-N 1 0 415.537 3.770 40 0 HHABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000006409501 560631168 /nfs/dbraw/zinc/63/11/68/560631168.db2.gz ZMWZUPBGOUKMKA-UHFFFAOYSA-N 1 0 414.619 3.797 40 0 HHABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(C)cc2)cc1 ZINC000409054673 560671374 /nfs/dbraw/zinc/67/13/74/560671374.db2.gz AYAJAWLHBVTPPZ-GZUHYISBSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409074634 560672865 /nfs/dbraw/zinc/67/28/65/560672865.db2.gz WBZMNZXRKMTDHB-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO CCn1c2ccc(OC)cc2cc(CNc2ccc(N3CCC(O)CC3)cc2)c1=O ZINC000013483271 560811573 /nfs/dbraw/zinc/81/15/73/560811573.db2.gz INRQWPLRNQISDO-UHFFFAOYSA-N 1 0 407.514 3.603 40 0 HHABRO COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019553402 560873906 /nfs/dbraw/zinc/87/39/06/560873906.db2.gz SIKFFWSOXKRKRA-HSZRJFAPSA-N 1 0 424.593 3.837 40 0 HHABRO COc1cc(C)c(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000222975905 568532892 /nfs/dbraw/zinc/53/28/92/568532892.db2.gz BUEAZLOXXMAQQF-UHFFFAOYSA-N 1 0 404.532 3.586 40 0 HHABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccco1 ZINC000223259005 568542993 /nfs/dbraw/zinc/54/29/93/568542993.db2.gz TXUTUYUQGYDOOH-YADHBBJMSA-N 1 0 423.586 3.675 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000223278380 568543871 /nfs/dbraw/zinc/54/38/71/568543871.db2.gz CGEKLCCIYNRTRZ-LEWJYISDSA-N 1 0 409.534 3.546 40 0 HHABRO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224534691 568583995 /nfs/dbraw/zinc/58/39/95/568583995.db2.gz KHTIYTUMNVKELX-UHFFFAOYSA-N 1 0 402.922 3.756 40 0 HHABRO COc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000224538716 568584125 /nfs/dbraw/zinc/58/41/25/568584125.db2.gz SWSIXFCMEREBSR-UHFFFAOYSA-N 1 0 402.560 3.776 40 0 HHABRO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)C1 ZINC000225588112 568655148 /nfs/dbraw/zinc/65/51/48/568655148.db2.gz GEDYOODNJVDOHK-KRWDZBQOSA-N 1 0 409.977 3.929 40 0 HHABRO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000260905704 568743836 /nfs/dbraw/zinc/74/38/36/568743836.db2.gz RSQTYRNRDQDHSS-ZWKOTPCHSA-N 1 0 400.906 3.508 40 0 HHABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)COc1cccnc1 ZINC000257202268 568776655 /nfs/dbraw/zinc/77/66/55/568776655.db2.gz ALCQTGKHSVYWOH-ACUMWEPGSA-N 1 0 405.542 3.593 40 0 HHABRO CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OCC[NH+](C)C)OCC[C@@]31C2 ZINC000257208050 568778537 /nfs/dbraw/zinc/77/85/37/568778537.db2.gz BKLXZOKJGUDKDI-CZRIRQFQSA-N 1 0 400.563 3.646 40 0 HHABRO 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 568782804 /nfs/dbraw/zinc/78/28/04/568782804.db2.gz DUPHNHCKKASZSM-YLYPHGCXSA-N 1 0 405.542 3.876 40 0 HHABRO NC(=O)c1cccc(-c2cccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257230697 568785170 /nfs/dbraw/zinc/78/51/70/568785170.db2.gz GDLZEESWZDIWHP-RUZDIDTESA-N 1 0 424.504 3.969 40 0 HHABRO C[NH+]1CCC(CNC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CC1 ZINC000257239659 568787449 /nfs/dbraw/zinc/78/74/49/568787449.db2.gz HQGWWNQDWFDTQG-UHFFFAOYSA-N 1 0 407.558 3.546 40 0 HHABRO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n(C)n1 ZINC000257272402 568796206 /nfs/dbraw/zinc/79/62/06/568796206.db2.gz NCGQRTWLDUBIKB-OXGLLWLOSA-N 1 0 406.574 3.900 40 0 HHABRO c1cnc2c(c1)cccc2C[C@H]1COCC[N@H+](Cc2ccnc(N3CCCCC3)n2)C1 ZINC000257313997 568808349 /nfs/dbraw/zinc/80/83/49/568808349.db2.gz UUYWLFGBPYAGMF-HXUWFJFHSA-N 1 0 417.557 3.706 40 0 HHABRO Cc1cccnc1Nc1cncc(C2CCN(C(=O)CC[C@H](C)[NH+]3CCCC3)CC2)n1 ZINC000257317009 568809363 /nfs/dbraw/zinc/80/93/63/568809363.db2.gz VHYNQOUDCQAQGB-IBGZPJMESA-N 1 0 422.577 3.894 40 0 HHABRO COc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306131787 568894038 /nfs/dbraw/zinc/89/40/38/568894038.db2.gz KPTGHWJOPKTPSZ-DHLKQENFSA-N 1 0 422.573 3.701 40 0 HHABRO c1[nH]nc(-c2ccccc2)c1CN1CCO[C@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306131950 568894117 /nfs/dbraw/zinc/89/41/17/568894117.db2.gz KTSYEJGMZKFOCG-UKILVPOCSA-N 1 0 417.557 3.775 40 0 HHABRO Cc1ccc(C[N@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)s1 ZINC000306134770 568896741 /nfs/dbraw/zinc/89/67/41/568896741.db2.gz NXTRKLYOYOUWNP-NRFANRHFSA-N 1 0 404.543 3.650 40 0 HHABRO COc1ccccc1C[N@@H+]1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136585 568898475 /nfs/dbraw/zinc/89/84/75/568898475.db2.gz PXNVXXBFUVDWLA-PXDATVDWSA-N 1 0 422.573 3.701 40 0 HHABRO O=S1(=O)N(CC2CC2)c2ccccc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000306138103 568900257 /nfs/dbraw/zinc/90/02/57/568900257.db2.gz RPDKJKZIIWMBFX-UHFFFAOYSA-N 1 0 400.519 3.877 40 0 HHABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@H+](Cc4cnn(C)c4)C3)nn2c1 ZINC000306139377 568901362 /nfs/dbraw/zinc/90/13/62/568901362.db2.gz SVQHNWXWVPBPSK-GOSISDBHSA-N 1 0 420.492 3.657 40 0 HHABRO CC(C)c1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328974754 568970647 /nfs/dbraw/zinc/97/06/47/568970647.db2.gz FGMCYTPVXHZOAP-FQEVSTJZSA-N 1 0 412.578 3.819 40 0 HHABRO 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 569058960 /nfs/dbraw/zinc/05/89/60/569058960.db2.gz LPPMVEHGZWXTBA-DODZYUBVSA-N 1 0 424.570 3.741 40 0 HHABRO COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000226259632 569278708 /nfs/dbraw/zinc/27/87/08/569278708.db2.gz WKMBHADPINFCOT-UHFFFAOYSA-N 1 0 409.317 3.588 40 0 HHABRO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000253594129 569318158 /nfs/dbraw/zinc/31/81/58/569318158.db2.gz OHARHGKLGGCDRI-BSWQBHCVSA-N 1 0 423.557 3.511 40 0 HHABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cc(-c4cnn(C)c4)on3)cc2)C1 ZINC000019711833 569348203 /nfs/dbraw/zinc/34/82/03/569348203.db2.gz SLUACQPTGVKVGK-CTNGQTDRSA-N 1 0 423.517 3.889 40 0 HHABRO Cc1ccccc1C[N@@H+]1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 ZINC000019700900 569428670 /nfs/dbraw/zinc/42/86/70/569428670.db2.gz VEHRKLJMDDBCPO-SANMLTNESA-N 1 0 415.537 3.520 40 0 HHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccnc2)n1 ZINC000329022248 571304607 /nfs/dbraw/zinc/30/46/07/571304607.db2.gz OMTWCLBHWAJEOR-UHFFFAOYSA-N 1 0 402.424 4.275 40 0 HHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccncc2)n1 ZINC000328989752 571304719 /nfs/dbraw/zinc/30/47/19/571304719.db2.gz IMILUGGIOHMHOD-UHFFFAOYSA-N 1 0 402.424 4.275 40 0 HHABRO Cc1cc(Br)ccc1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000329037501 571305702 /nfs/dbraw/zinc/30/57/02/571305702.db2.gz RNMNNRUGNQSOHT-UHFFFAOYSA-N 1 0 404.356 4.532 40 0 HHABRO Cc1nc2c(c(N3CCC([NH+]4CCCCC4)CC3)n1)CN(Cc1ccccc1)CC2 ZINC000012183322 132355983 /nfs/dbraw/zinc/35/59/83/132355983.db2.gz AUDGHKWGXIAUIX-UHFFFAOYSA-N 1 0 405.590 3.798 40 0 HHABRO CCOc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000020177406 520954270 /nfs/dbraw/zinc/95/42/70/520954270.db2.gz LCZFVNDUBJSTQE-GOSISDBHSA-N 1 0 416.905 3.602 40 0 HHABRO COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908576 524967333 /nfs/dbraw/zinc/96/73/33/524967333.db2.gz VOONAAFNEOAFQK-IEBWSBKVSA-N 1 0 400.494 3.630 40 0 HHABRO Cn1c2ccc(C[N@H+](CCCn3ccnc3)Cc3ccccc3Cl)cc2n(C)c1=O ZINC000043277791 527100100 /nfs/dbraw/zinc/10/01/00/527100100.db2.gz WAFDXTYGZIUOJA-UHFFFAOYSA-N 1 0 423.948 3.819 40 0 HHABRO CCCN1C(=O)CCc2c(C)nc(C3CC[NH+](Cc4c(C)nn(CC)c4C)CC3)nc21 ZINC000019739353 558260294 /nfs/dbraw/zinc/26/02/94/558260294.db2.gz IOKZNHADRVZUEA-UHFFFAOYSA-N 1 0 424.593 3.687 40 0 HHABRO O=C(Cn1cc(NC(=O)c2ccc(F)cc2)cn1)Nc1ccccc1C[NH+]1CCCC1 ZINC000019749886 558269901 /nfs/dbraw/zinc/26/99/01/558269901.db2.gz NGXXICXEHGUJJW-UHFFFAOYSA-N 1 0 421.476 3.509 40 0 HHABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccncc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766359 558278735 /nfs/dbraw/zinc/27/87/35/558278735.db2.gz WRYPSYLBOWIMRR-FQEVSTJZSA-N 1 0 419.504 3.629 40 0 HHABRO COCCC[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012146449 558337874 /nfs/dbraw/zinc/33/78/74/558337874.db2.gz JTDRUUJTQHUNRW-UHFFFAOYSA-N 1 0 406.461 3.646 40 0 HHABRO O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCCOC1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000012186499 558345639 /nfs/dbraw/zinc/34/56/39/558345639.db2.gz GDPSTOBREOTQPA-LJQANCHMSA-N 1 0 418.472 3.789 40 0 HHABRO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020450662 558365539 /nfs/dbraw/zinc/36/55/39/558365539.db2.gz BHZFMWSYDCKLRV-UHFFFAOYSA-N 1 0 423.557 3.937 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3cn(C)c4ccccc34)CC1)C[C@H]2O ZINC000012293224 558366166 /nfs/dbraw/zinc/36/61/66/558366166.db2.gz LDRJKFZBZHDVFR-PKTZIBPZSA-N 1 0 422.525 3.571 40 0 HHABRO CCn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c2ccccc21 ZINC000012293284 558366519 /nfs/dbraw/zinc/36/65/19/558366519.db2.gz JFUABABIVMGFJS-DHIUTWEWSA-N 1 0 422.525 3.751 40 0 HHABRO Cc1[nH]c2ccc(F)cc2c1[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000012329197 558384007 /nfs/dbraw/zinc/38/40/07/558384007.db2.gz SFQVDQSCFWJEJT-RTWAWAEBSA-N 1 0 410.489 4.000 40 0 HHABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329767 558384526 /nfs/dbraw/zinc/38/45/26/558384526.db2.gz GFKMZNTXUDFXMH-PMACEKPBSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3c[nH]c4cc(C)ccc43)CC1)C[C@@H]2O ZINC000012329705 558384585 /nfs/dbraw/zinc/38/45/85/558384585.db2.gz NBQFGPXMSLARDR-GOTSBHOMSA-N 1 0 422.525 3.869 40 0 HHABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330294 558385449 /nfs/dbraw/zinc/38/54/49/558385449.db2.gz DIPNPKADAGYUON-PKTZIBPZSA-N 1 0 409.526 3.655 40 0 HHABRO COc1ccc(C2([NH2+]Cc3c(=O)n4ccccc4nc3N3CCCC3)CCCC2)cc1 ZINC000012344180 558386272 /nfs/dbraw/zinc/38/62/72/558386272.db2.gz WHHGJABXUKUKIF-UHFFFAOYSA-N 1 0 418.541 3.862 40 0 HHABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1)Nc1ccccc1 ZINC000022607420 558500936 /nfs/dbraw/zinc/50/09/36/558500936.db2.gz GUNQDXFJSBTISB-CQSZACIVSA-N 1 0 419.272 3.653 40 0 HHABRO CCCC[NH+](CCCC)CN1C(=O)C(=Cc2ccc(NC(C)=O)cc2)NC1=S ZINC000033493145 558769085 /nfs/dbraw/zinc/76/90/85/558769085.db2.gz NWRZHSNLESRIFN-XMHGGMMESA-N 1 0 402.564 3.562 40 0 HHABRO COc1ccc(NC(=O)C2([N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CCCCC2)cc1 ZINC000016036075 558769630 /nfs/dbraw/zinc/76/96/30/558769630.db2.gz JPOZDPITGXJBJC-MOPGFXCFSA-N 1 0 421.541 3.618 40 0 HHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2)C1 ZINC000038831714 558816953 /nfs/dbraw/zinc/81/69/53/558816953.db2.gz JNWJXDMZEQBVJP-NRFANRHFSA-N 1 0 421.585 3.681 40 0 HHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 ZINC000038856621 558819408 /nfs/dbraw/zinc/81/94/08/558819408.db2.gz UQFMOLPJYOLXIL-QGZVFWFLSA-N 1 0 415.559 3.567 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000019019596 558837539 /nfs/dbraw/zinc/83/75/39/558837539.db2.gz QUCPNANEXSEAES-CPJSRVTESA-N 1 0 424.541 3.726 40 0 HHABRO C[NH+]1CCC(N(C[C@H]2CCCO2)C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000019082401 558840121 /nfs/dbraw/zinc/84/01/21/558840121.db2.gz SWUKBEDKZRBBQR-SJLPKXTDSA-N 1 0 403.567 3.541 40 0 HHABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)c(C)c1 ZINC000019132761 558845612 /nfs/dbraw/zinc/84/56/12/558845612.db2.gz ISQKABFSZHBAND-GCJKJVERSA-N 1 0 409.530 3.903 40 0 HHABRO Cc1ccc(-c2ccccc2C[C@@H]2C[N@H+](Cc3cnc(C)nc3)CCNC2=O)c(C)c1 ZINC000019132890 558845834 /nfs/dbraw/zinc/84/58/34/558845834.db2.gz LHJYFYXBFURBAX-HSZRJFAPSA-N 1 0 414.553 3.860 40 0 HHABRO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019209723 558848039 /nfs/dbraw/zinc/84/80/39/558848039.db2.gz YWHNCRFMMXMLFY-OAQYLSRUSA-N 1 0 408.546 3.553 40 0 HHABRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642468 558850337 /nfs/dbraw/zinc/85/03/37/558850337.db2.gz YRZWVSMSLANSLC-UHFFFAOYSA-N 1 0 402.292 3.654 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000019235043 558854114 /nfs/dbraw/zinc/85/41/14/558854114.db2.gz CWCQCFWGISCEPV-AREMUKBSSA-N 1 0 415.537 3.617 40 0 HHABRO Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccn3)C2)C1 ZINC000019237336 558856404 /nfs/dbraw/zinc/85/64/04/558856404.db2.gz KVWQKKCKLKMUGY-GOTSBHOMSA-N 1 0 421.585 3.962 40 0 HHABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000019288917 558861730 /nfs/dbraw/zinc/86/17/30/558861730.db2.gz CMYDDQSMOLQZON-UHFFFAOYSA-N 1 0 410.468 3.760 40 0 HHABRO CC(C)[N@H+](Cc1ccccc1)CC1(O)CCN(C(=O)c2cnc(C(C)(C)C)nc2)CC1 ZINC000019447617 558886758 /nfs/dbraw/zinc/88/67/58/558886758.db2.gz FUTDULWZCQLGGS-UHFFFAOYSA-N 1 0 424.589 3.652 40 0 HHABRO CCN1CC[N@H+](Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527449 558908689 /nfs/dbraw/zinc/90/86/89/558908689.db2.gz RGBJALRINFTFRA-QHCPKHFHSA-N 1 0 400.526 3.667 40 0 HHABRO CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CC[N@H+](Cc2cnn(C)c2)C1 ZINC000019529192 558910770 /nfs/dbraw/zinc/91/07/70/558910770.db2.gz AVBKSVLQMZCOKL-RUZDIDTESA-N 1 0 402.542 3.658 40 0 HHABRO CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530035 558911268 /nfs/dbraw/zinc/91/12/68/558911268.db2.gz ZBQHRWZVSMTWRZ-SBUREZEXSA-N 1 0 416.493 3.705 40 0 HHABRO CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)ccc1OC ZINC000019531960 558912161 /nfs/dbraw/zinc/91/21/61/558912161.db2.gz RJCCUZDTZHGAEX-YESZJQIVSA-N 1 0 421.492 3.588 40 0 HHABRO Cc1noc2nc([C@@H]3CCC[N@@H+](Cc4cnc(N(C)C)nc4)C3)cc(C(F)F)c12 ZINC000019564400 558924428 /nfs/dbraw/zinc/92/44/28/558924428.db2.gz QBRGVWSAZJFCQY-CQSZACIVSA-N 1 0 402.449 3.704 40 0 HHABRO CC(=O)Nc1ccc(OCC(=O)N2CCC(c3cc4c[nH+]ccc4[nH]3)CC2)cc1C ZINC000019570917 558929745 /nfs/dbraw/zinc/92/97/45/558929745.db2.gz OSDZNYIWZXRIBK-UHFFFAOYSA-N 1 0 406.486 3.615 40 0 HHABRO 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 558932597 /nfs/dbraw/zinc/93/25/97/558932597.db2.gz SSKLGTXTFHBSFV-HLLBOEOZSA-N 1 0 415.504 3.625 40 0 HHABRO Cc1occc1-c1nc(N2CC[NH+](C3CCCCC3)CC2)ncc1-c1cnccn1 ZINC000019583049 558937588 /nfs/dbraw/zinc/93/75/88/558937588.db2.gz WTZJMMDQNMMUJT-UHFFFAOYSA-N 1 0 404.518 3.957 40 0 HHABRO CN(C(=O)c1ccn(C(F)F)n1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590888 558940946 /nfs/dbraw/zinc/94/09/46/558940946.db2.gz ADZPFZOBDLAFSD-UHFFFAOYSA-N 1 0 404.461 3.556 40 0 HHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591321 558941733 /nfs/dbraw/zinc/94/17/33/558941733.db2.gz UNDYSUJQPKFDHG-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019591701 558942419 /nfs/dbraw/zinc/94/24/19/558942419.db2.gz XPLBDYSPNUOJMK-SANMLTNESA-N 1 0 415.537 3.938 40 0 HHABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+](CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072348713 558945477 /nfs/dbraw/zinc/94/54/77/558945477.db2.gz YQAGFDZYXIYSPA-OAQYLSRUSA-N 1 0 407.558 3.873 40 0 HHABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353457 558950377 /nfs/dbraw/zinc/95/03/77/558950377.db2.gz AQAWUDXJPGXXRS-FQEVSTJZSA-N 1 0 418.545 3.887 40 0 HHABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cn1 ZINC000072353454 558950425 /nfs/dbraw/zinc/95/04/25/558950425.db2.gz RSKNVTBZDLTRCB-HXUWFJFHSA-N 1 0 418.545 3.887 40 0 HHABRO CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000019689437 558958865 /nfs/dbraw/zinc/95/88/65/558958865.db2.gz INTTWTMJYUAVQP-LJQANCHMSA-N 1 0 413.953 3.622 40 0 HHABRO Cc1cccc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)c1 ZINC000019689671 558959240 /nfs/dbraw/zinc/95/92/40/558959240.db2.gz YHOAWKREGYUTJJ-QFIPXVFZSA-N 1 0 415.541 3.954 40 0 HHABRO COCCc1ncc(C[NH+]2CCC(c3ccc(Nc4cccc(C)n4)cn3)CC2)cn1 ZINC000072374322 558961718 /nfs/dbraw/zinc/96/17/18/558961718.db2.gz SQACNOOCLBQCIV-UHFFFAOYSA-N 1 0 418.545 3.887 40 0 HHABRO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCC[N@@H+]2Cc2cn(C)nc2C)cc1 ZINC000019694313 558962655 /nfs/dbraw/zinc/96/26/55/558962655.db2.gz GYXBQYSIPAMSTK-QFIPXVFZSA-N 1 0 420.561 3.987 40 0 HHABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376098 558965413 /nfs/dbraw/zinc/96/54/13/558965413.db2.gz VHFBKYBVJRECQE-FQEVSTJZSA-N 1 0 418.545 3.887 40 0 HHABRO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H](c2nc(C)c3c(n2)N(C)CCC3)C1 ZINC000019707035 558969309 /nfs/dbraw/zinc/96/93/09/558969309.db2.gz PCRVWICQLBLPKI-IBGZPJMESA-N 1 0 404.562 3.812 40 0 HHABRO CC(C)(C)C[N@@H+]1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 ZINC000072389085 558969555 /nfs/dbraw/zinc/96/95/55/558969555.db2.gz CMJRTWGVGPYGGG-VWLOTQADSA-N 1 0 407.558 3.687 40 0 HHABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000019707379 558969649 /nfs/dbraw/zinc/96/96/49/558969649.db2.gz AFUMEXZVAPDLCV-NRFANRHFSA-N 1 0 413.525 3.808 40 0 HHABRO Cc1nn(C)cc1-c1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c2ccccc2n1 ZINC000019716519 558978565 /nfs/dbraw/zinc/97/85/65/558978565.db2.gz MLNDGWJGSSIKHS-UHFFFAOYSA-N 1 0 405.546 3.938 40 0 HHABRO Cc1cccc2[nH]c(C(=O)N3CCC[C@](O)(C[NH+]4CCC(F)(F)CC4)CC3)cc21 ZINC000585183667 559070418 /nfs/dbraw/zinc/07/04/18/559070418.db2.gz OFXMQRWZOKGPNX-OAQYLSRUSA-N 1 0 405.489 3.565 40 0 HHABRO COCCN(C)c1nc(C2CC[NH+](Cc3ccc(F)cc3)CC2)cc2c1ncn2C ZINC000096099963 559095183 /nfs/dbraw/zinc/09/51/83/559095183.db2.gz VMYAOOQMUJAIHP-UHFFFAOYSA-N 1 0 411.525 3.570 40 0 HHABRO O=C(CCc1cccnc1)N1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000096202450 559101264 /nfs/dbraw/zinc/10/12/64/559101264.db2.gz HLEKUKWJFAWSMV-UHFFFAOYSA-N 1 0 403.448 3.768 40 0 HHABRO COc1cccc(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)c1 ZINC000096216392 559102044 /nfs/dbraw/zinc/10/20/44/559102044.db2.gz WSRKGCKPOPOUEV-RUZDIDTESA-N 1 0 408.542 3.631 40 0 HHABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C(=O)c2cnccn2)Cc2ccccc23)o1 ZINC000096242594 559104090 /nfs/dbraw/zinc/10/40/90/559104090.db2.gz FXRWLZWCJRMONS-UHFFFAOYSA-N 1 0 402.498 3.568 40 0 HHABRO O=S1(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)CC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000096263694 559107180 /nfs/dbraw/zinc/10/71/80/559107180.db2.gz AGUIHLYCRHCPHU-TZIWHRDSSA-N 1 0 404.963 3.766 40 0 HHABRO O=C1C[C@H](c2ccccc2)[C@@H]2[C@@H](CCC[C@@H]2[NH2+]CCCO)N1Cc1ccc(F)cc1 ZINC000585261709 559109341 /nfs/dbraw/zinc/10/93/41/559109341.db2.gz ACYKUXRRSOEVDN-QENXHYHDSA-N 1 0 410.533 3.851 40 0 HHABRO Cc1c(F)cccc1NC(=O)C[N@@H+]1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000585261786 559109390 /nfs/dbraw/zinc/10/93/90/559109390.db2.gz MCVYVYMTKXSQEG-WPWBMXPQSA-N 1 0 423.532 3.817 40 0 HHABRO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000585261872 559109529 /nfs/dbraw/zinc/10/95/29/559109529.db2.gz FTBBTDMAQXSBQA-AREMUKBSSA-N 1 0 415.537 3.940 40 0 HHABRO CC(=O)Nc1ccc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000100752974 559139800 /nfs/dbraw/zinc/13/98/00/559139800.db2.gz MWGYKIODTSMCEG-UHFFFAOYSA-N 1 0 417.469 3.520 40 0 HHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000113947956 559182635 /nfs/dbraw/zinc/18/26/35/559182635.db2.gz GKBTXSBYLDPFEO-FQEVSTJZSA-N 1 0 406.574 3.923 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@]3(CN(CCc4ccccc4)C(=O)CO3)CC2)cc1 ZINC000257314406 559282848 /nfs/dbraw/zinc/28/28/48/559282848.db2.gz UWVAKQPUGVTKAB-RUZDIDTESA-N 1 0 408.542 3.521 40 0 HHABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@@H](O)COC3CCCCC3)cc2)n1 ZINC000257238859 559284099 /nfs/dbraw/zinc/28/40/99/559284099.db2.gz HMVPBRYZDWGTCD-JOCHJYFZSA-N 1 0 415.578 3.721 40 0 HHABRO COc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000880614 560539670 /nfs/dbraw/zinc/53/96/70/560539670.db2.gz PSKDPUGWDCYCCY-UHFFFAOYSA-N 1 0 424.570 3.606 40 0 HHABRO CC[C@H](C)NC(=S)N(CCC[NH+](C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004161962 560602086 /nfs/dbraw/zinc/60/20/86/560602086.db2.gz RYPWDSYTIAUEAL-KRWDZBQOSA-N 1 0 402.608 3.572 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409058458 560670705 /nfs/dbraw/zinc/67/07/05/560670705.db2.gz OVGAKSPQEZKNQF-PVTRQTPWSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409058982 560670847 /nfs/dbraw/zinc/67/08/47/560670847.db2.gz QAOXGSRSFCRXAI-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 ZINC000409054827 560671441 /nfs/dbraw/zinc/67/14/41/560671441.db2.gz OBKFGRAEEXJZCK-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO 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 560734729 /nfs/dbraw/zinc/73/47/29/560734729.db2.gz HBIHILGQENLYSC-YRPNKDGESA-N 1 0 407.599 3.698 40 0 HHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1I ZINC000010543046 560770211 /nfs/dbraw/zinc/77/02/11/560770211.db2.gz MWUXEYKLEZNDTA-AWEZNQCLSA-N 1 0 400.304 3.676 40 0 HHABRO CC[NH+]1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)CCC5)cc2)CC1 ZINC000013564187 560816482 /nfs/dbraw/zinc/81/64/82/560816482.db2.gz UEASNPGGXYWNPX-UHFFFAOYSA-N 1 0 402.542 3.771 40 0 HHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+][C@@H](C)[C@@H](O)c3ccccc3)o2)c1 ZINC000022108575 568475331 /nfs/dbraw/zinc/47/53/31/568475331.db2.gz WVEWBMQVSGHADS-OYHNWAKOSA-N 1 0 423.465 3.732 40 0 HHABRO CC[NH+]1CCN(CCCNC(=O)c2cc3sccc3n2Cc2ccccc2)CC1 ZINC000022586310 568487202 /nfs/dbraw/zinc/48/72/02/568487202.db2.gz AQDOSYRBIRVKJB-UHFFFAOYSA-N 1 0 410.587 3.509 40 0 HHABRO COc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000219404407 568491245 /nfs/dbraw/zinc/49/12/45/568491245.db2.gz URVFGBFSCLJXSN-UHFFFAOYSA-N 1 0 420.513 3.616 40 0 HHABRO CCCc1ccc(C[NH+]2CCC(O)(c3cnc(OCC)nc3OCC)CC2)s1 ZINC000057743870 568495656 /nfs/dbraw/zinc/49/56/56/568495656.db2.gz HGDAXGIATDIOBI-UHFFFAOYSA-N 1 0 405.564 3.772 40 0 HHABRO Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599451 568519962 /nfs/dbraw/zinc/51/99/62/568519962.db2.gz ZAQNYSTUALQUMO-LJQANCHMSA-N 1 0 408.477 3.713 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000223236843 568542084 /nfs/dbraw/zinc/54/20/84/568542084.db2.gz NWCWRFPLUCDIAV-FGZHOGPDSA-N 1 0 423.561 3.936 40 0 HHABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C(C)C ZINC000224627500 568589079 /nfs/dbraw/zinc/58/90/79/568589079.db2.gz BYXWGYDIZQFBPJ-UHFFFAOYSA-N 1 0 402.560 3.893 40 0 HHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000225731407 568668828 /nfs/dbraw/zinc/66/88/28/568668828.db2.gz CWPFMKHOJGCRDU-OALUTQOASA-N 1 0 416.635 3.967 40 0 HHABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)COc1ccccc1F)[C@H]3Cc1ccccc1 ZINC000257205655 568777759 /nfs/dbraw/zinc/77/77/59/568777759.db2.gz BAAIRZYQYNXFEP-AUNLMLFCSA-N 1 0 408.517 3.947 40 0 HHABRO CCn1cc(NC(=O)CN2[C@H](c3ccccc3)C[C@]3(C)[NH2+]CCCCC[C@H]23)c(C)n1 ZINC000257206116 568777850 /nfs/dbraw/zinc/77/78/50/568777850.db2.gz BBXPMOATDUVVGM-FIXSFTCYSA-N 1 0 409.578 3.888 40 0 HHABRO COc1ncccc1C(=O)N1[C@@H]2CCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257212933 568779784 /nfs/dbraw/zinc/77/97/84/568779784.db2.gz CFMKZXRQICZJLX-ZWCDFLAXSA-N 1 0 405.542 3.789 40 0 HHABRO Cn1cc(C[NH+]2CCC(c3ccnc(Nc4ncccc4C(F)(F)F)n3)CC2)cn1 ZINC000257222572 568782808 /nfs/dbraw/zinc/78/28/08/568782808.db2.gz DTUOEBLRNVYBFA-UHFFFAOYSA-N 1 0 417.439 3.747 40 0 HHABRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257227653 568784399 /nfs/dbraw/zinc/78/43/99/568784399.db2.gz FQHDJBAURLRWLV-HXUWFJFHSA-N 1 0 424.589 3.775 40 0 HHABRO Cn1cncc1CN1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257237907 568786975 /nfs/dbraw/zinc/78/69/75/568786975.db2.gz HITIDOLLYYXQCI-BJLQDIEVSA-N 1 0 406.452 3.813 40 0 HHABRO CC[N@@H+]1CCC[C@@H](NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257245151 568788809 /nfs/dbraw/zinc/78/88/09/568788809.db2.gz IOGGSOFKKZCKJO-HSZRJFAPSA-N 1 0 407.558 3.688 40 0 HHABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257252783 568791066 /nfs/dbraw/zinc/79/10/66/568791066.db2.gz JWDCIJPBCHNVNX-KRWDZBQOSA-N 1 0 403.486 3.870 40 0 HHABRO Cc1nccc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)n1 ZINC000257252870 568791119 /nfs/dbraw/zinc/79/11/19/568791119.db2.gz JWLFFHSKFMHNNP-JAWPICGBSA-N 1 0 404.558 3.874 40 0 HHABRO Cc1nn(C)c(C)c1NC(=O)CN1CCCCC[C@@H]2[NH2+][C@H](Cc3ccccc3)C[C@@]21C ZINC000257284809 568799977 /nfs/dbraw/zinc/79/99/77/568799977.db2.gz PEKMCUJUTQSUKV-SLSDLSHTSA-N 1 0 423.605 3.583 40 0 HHABRO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@H+](Cc2ccc(F)cc2)C2CCCC2)C1 ZINC000257295424 568803213 /nfs/dbraw/zinc/80/32/13/568803213.db2.gz QYFZHUKRIMXSGD-GOTSBHOMSA-N 1 0 412.505 3.952 40 0 HHABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000257298591 568803956 /nfs/dbraw/zinc/80/39/56/568803956.db2.gz RMJXJENTGXBRFK-QFIPXVFZSA-N 1 0 416.529 3.626 40 0 HHABRO CN(CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1)Cc1ccccn1 ZINC000257299471 568804276 /nfs/dbraw/zinc/80/42/76/568804276.db2.gz RQELRKQYQIBAJI-LJQANCHMSA-N 1 0 422.504 3.638 40 0 HHABRO CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257306136 568806320 /nfs/dbraw/zinc/80/63/20/568806320.db2.gz STBLQBJNIHCHCB-MRXNPFEDSA-N 1 0 406.527 3.649 40 0 HHABRO COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@@H+]4C)[nH]n2)c1 ZINC000257306614 568806503 /nfs/dbraw/zinc/80/65/03/568806503.db2.gz SVANZVHDOLMBQH-GMAHTHKFSA-N 1 0 412.534 3.573 40 0 HHABRO COCCc1ncc(C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)cn1 ZINC000257311929 568807714 /nfs/dbraw/zinc/80/77/14/568807714.db2.gz ULQWITBTAHHYLZ-UHFFFAOYSA-N 1 0 404.518 3.579 40 0 HHABRO C[C@H](Cc1c[nH]c2ccccc12)Nc1cc(-c2c3c(nn2C)CCCC3)nc(N)n1 ZINC000257322289 568811054 /nfs/dbraw/zinc/81/10/54/568811054.db2.gz WFIXVNDUWKUTKM-CQSZACIVSA-N 1 0 401.518 3.863 40 0 HHABRO Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H]([NH3+])CC(C)C)CC[C@H]3O[C@@H]21 ZINC000257330795 568813419 /nfs/dbraw/zinc/81/34/19/568813419.db2.gz XQBOYYVCTWKYRK-HXUPBZAASA-N 1 0 400.563 3.834 40 0 HHABRO CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OCC[NH+](C)C)c4)OCC[C@@]31C2 ZINC000257333812 568814068 /nfs/dbraw/zinc/81/40/68/568814068.db2.gz YDDRRYRWQPXRSC-UVFBAWLLSA-N 1 0 400.563 3.646 40 0 HHABRO CN1CC2(CC[NH+](Cc3ccsc3)CC2)c2nc(-c3ccccc3)ncc2C1=O ZINC000306127825 568890744 /nfs/dbraw/zinc/89/07/44/568890744.db2.gz GIOOMRWCEBAKBQ-UHFFFAOYSA-N 1 0 404.539 3.825 40 0 HHABRO C[NH+]1CCC(n2ncc3c2-c2ccccc2OC32CCN(C(=O)C3(C)CC3)CC2)CC1 ZINC000306128591 568891376 /nfs/dbraw/zinc/89/13/76/568891376.db2.gz HFQXNVBVNYHJHE-UHFFFAOYSA-N 1 0 420.557 3.827 40 0 HHABRO Cn1[n-]c2c(c1=O)C[N@H+](Cc1cccs1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306134618 568896615 /nfs/dbraw/zinc/89/66/15/568896615.db2.gz NTRMSILTWPFDIN-UHFFFAOYSA-N 1 0 408.571 3.737 40 0 HHABRO COC[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218589519 568938501 /nfs/dbraw/zinc/93/85/01/568938501.db2.gz QZBLKSMVNIQJEB-OKZBNKHCSA-N 1 0 400.327 3.525 40 0 HHABRO COC[C@@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218591598 568938508 /nfs/dbraw/zinc/93/85/08/568938508.db2.gz PXATVBJBYUSZAX-BZSNNMDCSA-N 1 0 400.327 3.525 40 0 HHABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611317 568939753 /nfs/dbraw/zinc/93/97/53/568939753.db2.gz COKOVRNILPZULJ-FHWLQOOXSA-N 1 0 414.354 3.915 40 0 HHABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218625409 568942069 /nfs/dbraw/zinc/94/20/69/568942069.db2.gz RQRWOMWEVYHYQF-PCCBWWKXSA-N 1 0 407.963 3.824 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2ccccc2)n1 ZINC000328989117 568971645 /nfs/dbraw/zinc/97/16/45/568971645.db2.gz IIYLZEROIRSBDO-UHFFFAOYSA-N 1 0 401.436 3.512 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329018907 568972724 /nfs/dbraw/zinc/97/27/24/568972724.db2.gz NTMZXGPSABIZGP-UHFFFAOYSA-N 1 0 416.451 3.508 40 0 HHABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329040321 568974135 /nfs/dbraw/zinc/97/41/35/568974135.db2.gz SDIOMAWXYVJPIF-SFHVURJKSA-N 1 0 419.367 3.793 40 0 HHABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329063462 568975233 /nfs/dbraw/zinc/97/52/33/568975233.db2.gz XEWASYSVNAKFQT-KRWDZBQOSA-N 1 0 405.340 3.539 40 0 HHABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022787656 569042762 /nfs/dbraw/zinc/04/27/62/569042762.db2.gz RCDXKNBTCDIRQZ-XZOQPEGZSA-N 1 0 402.966 3.986 40 0 HHABRO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000247946403 569315865 /nfs/dbraw/zinc/31/58/65/569315865.db2.gz WRCBTIFPQOLMCF-YADARESESA-N 1 0 411.546 3.505 40 0 HHABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000019702030 569347317 /nfs/dbraw/zinc/34/73/17/569347317.db2.gz SATDCDUSYWJIAA-SFHVURJKSA-N 1 0 409.555 3.705 40 0 HHABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cnc(N(C)C)nc3C)cc2)C1 ZINC000019711853 569348253 /nfs/dbraw/zinc/34/82/53/569348253.db2.gz QIPZMRCLPJSIGM-CTNGQTDRSA-N 1 0 411.550 3.665 40 0 HHABRO CCn1cc(C[NH+]2CCC3(CC2)CC=CCN(CCc2ccccc2)C3=O)c(C)n1 ZINC000019742673 569348762 /nfs/dbraw/zinc/34/87/62/569348762.db2.gz SQGNMRCNJQAECO-UHFFFAOYSA-N 1 0 406.574 3.825 40 0 HHABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514472 569387928 /nfs/dbraw/zinc/38/79/28/569387928.db2.gz COKOVRNILPZULJ-IPMKNSEASA-N 1 0 414.354 3.915 40 0 HHABRO CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(COc4ccccc4)on3)C2(C)C)CC1 ZINC000067890295 291247047 /nfs/dbraw/zinc/24/70/47/291247047.db2.gz AHHLREIZOZUKPS-JPYJTQIMSA-N 1 0 411.546 3.811 40 0 biogenic,in-vitro HHABRO CCNC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635484 291249841 /nfs/dbraw/zinc/24/98/41/291249841.db2.gz DPIMMZJQQRRVLU-NNWRFLSQSA-N 1 0 417.557 3.737 40 0 biogenic,in-vitro HHABRO CC[NH+](CC)[C@@H](CNC(=O)C12C[C@H]3C[C@H](CC(NC(C)=O)(C3)C1)C2)c1ccsc1 ZINC000031988532 520832327 /nfs/dbraw/zinc/83/23/27/520832327.db2.gz VKIJUZANMBVFMC-ONJKIAEZSA-N 1 0 417.619 3.722 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000036719517 524027328 /nfs/dbraw/zinc/02/73/28/524027328.db2.gz XNXDUYBJVOOIQD-XLIONFOSSA-N 1 0 415.559 3.640 40 0 HHABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C(C)C ZINC000044873218 525066777 /nfs/dbraw/zinc/06/67/77/525066777.db2.gz JKKKMMSWPNWYFZ-UHFFFAOYSA-N 1 0 402.560 3.893 40 0 HHABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857162 525324605 /nfs/dbraw/zinc/32/46/05/525324605.db2.gz NOKMTHYXTAUQJJ-GOSISDBHSA-N 1 0 414.571 3.957 40 0 HHABRO O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872287 527191090 /nfs/dbraw/zinc/19/10/90/527191090.db2.gz BJYFVGJPRKHYHE-UHFFFAOYSA-N 1 0 423.376 3.665 40 0 HHABRO CC[NH+](CC)CCOC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1 ZINC000003211297 557456618 /nfs/dbraw/zinc/45/66/18/557456618.db2.gz OWXTYOWJITXXJA-UHFFFAOYSA-N 1 0 412.515 3.629 40 0 HHABRO COc1ccc(C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1Br ZINC000408603192 557523617 /nfs/dbraw/zinc/52/36/17/557523617.db2.gz BHXRKIJXXLVJIK-SFHVURJKSA-N 1 0 415.331 3.731 40 0 HHABRO COc1ccc(CC[N@H+](C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1OC ZINC000035262654 557657472 /nfs/dbraw/zinc/65/74/72/557657472.db2.gz MKHWKJZDCVYFJF-HBMCJLEFSA-N 1 0 403.563 3.548 40 0 HHABRO Cc1nc2sccn2c1C[NH+]1CCC(Cc2cc(N3CCCC3)nc(C)n2)CC1 ZINC000019758905 558275260 /nfs/dbraw/zinc/27/52/60/558275260.db2.gz QJFSJSBVEQQKBF-UHFFFAOYSA-N 1 0 410.591 3.858 40 0 HHABRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000012145136 558336236 /nfs/dbraw/zinc/33/62/36/558336236.db2.gz PRNQDKAEHRQJBA-KRWDZBQOSA-N 1 0 420.513 3.522 40 0 HHABRO COC[C@@H](C)[NH2+]Cc1cc2c(-c3ccc(F)cc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186493 558345589 /nfs/dbraw/zinc/34/55/89/558345589.db2.gz ZUOHWZDQWZKSNA-OAHLLOKOSA-N 1 0 406.461 3.644 40 0 HHABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+][C@@H](C)c3ccc4c(c3)OCCO4)cc12 ZINC000012186469 558345602 /nfs/dbraw/zinc/34/56/02/558345602.db2.gz PCDCTAZSAIISHT-HNNXBMFYSA-N 1 0 416.481 3.644 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)C[C@@H]2O ZINC000012329741 558384567 /nfs/dbraw/zinc/38/45/67/558384567.db2.gz YQEYMLMMDKTXRW-VQTJNVASSA-N 1 0 403.906 3.733 40 0 HHABRO CCOC(=O)Cn1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012344280 558386646 /nfs/dbraw/zinc/38/66/46/558386646.db2.gz KHBAACRZUNLQHN-UHFFFAOYSA-N 1 0 422.525 3.697 40 0 HHABRO Cc1c(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000022513242 558493313 /nfs/dbraw/zinc/49/33/13/558493313.db2.gz XAYBIOIJIMTQSN-SFHVURJKSA-N 1 0 418.541 3.969 40 0 HHABRO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000023133888 558537306 /nfs/dbraw/zinc/53/73/06/558537306.db2.gz WPCAHQHSERIFCG-HNNXBMFYSA-N 1 0 418.335 3.607 40 0 HHABRO Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(C)c(Cl)c3)n2)s1 ZINC000013634088 558553298 /nfs/dbraw/zinc/55/32/98/558553298.db2.gz OGJJPLCOQKTGTJ-UHFFFAOYSA-N 1 0 421.939 3.643 40 0 HHABRO CC(=O)Nc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cc1 ZINC000019022417 558838083 /nfs/dbraw/zinc/83/80/83/558838083.db2.gz LWMNZCFKPJYVDG-RIKCKFAHSA-N 1 0 404.514 3.553 40 0 HHABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125155 558844337 /nfs/dbraw/zinc/84/43/37/558844337.db2.gz UFTZCYGIYZTSLM-LEWJYISDSA-N 1 0 403.469 3.966 40 0 HHABRO COc1ccc2nc(C[NH+]3CCC(c4cc(N)n5nc(C)cc5n4)CC3)ccc2c1 ZINC000019129416 558845167 /nfs/dbraw/zinc/84/51/67/558845167.db2.gz NUDNZCIAICQJIW-UHFFFAOYSA-N 1 0 402.502 3.556 40 0 HHABRO Cc1cc2c(cc1Br)[C@H](O)[C@@](C[NH+]1CCCCC1)(N1CCCCC1)CO2 ZINC000019203060 558847488 /nfs/dbraw/zinc/84/74/88/558847488.db2.gz PRCHEBOJKXRRQR-SFTDATJTSA-N 1 0 423.395 3.894 40 0 HHABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4cccc(OC[C@@H]5CCCO5)c4)C[C@@H]32)nc1 ZINC000019216134 558850304 /nfs/dbraw/zinc/85/03/04/558850304.db2.gz NYLABVKBHLPRLJ-KUVYTWDVSA-N 1 0 408.542 3.677 40 0 HHABRO Cc1cccc(C[N@H+]2CC[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000019236143 558855199 /nfs/dbraw/zinc/85/51/99/558855199.db2.gz LYXVYRMPVXOFOY-SANMLTNESA-N 1 0 414.553 3.975 40 0 HHABRO COc1ccccc1-c1ccccc1C[C@H]1C[N@H+](Cc2cccc(C)n2)CCNC1=O ZINC000019236294 558855358 /nfs/dbraw/zinc/85/53/58/558855358.db2.gz HXGMCMSJBJMYFJ-NRFANRHFSA-N 1 0 415.537 3.856 40 0 HHABRO Cc1ccccc1OC[C@@H]1CCCN(C(=O)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000019237337 558856426 /nfs/dbraw/zinc/85/64/26/558856426.db2.gz AORFESIFKMXUBY-JOCHJYFZSA-N 1 0 421.585 3.962 40 0 HHABRO CC(=O)Nc1ccc(C[NH2+][C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1 ZINC000019285340 558859789 /nfs/dbraw/zinc/85/97/89/558859789.db2.gz CMKRONCNXHENKS-NRFANRHFSA-N 1 0 410.905 3.764 40 0 HHABRO O=C(N[C@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000019333855 558869237 /nfs/dbraw/zinc/86/92/37/558869237.db2.gz YJGWZQZAKALTHL-SFHVURJKSA-N 1 0 403.910 3.616 40 0 HHABRO O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC000019339244 558871215 /nfs/dbraw/zinc/87/12/15/558871215.db2.gz YOFDCGCCVLLMLT-WXFUMESZSA-N 1 0 416.500 3.746 40 0 HHABRO C[C@H](C[NH+](C)C)Nc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019455935 558891803 /nfs/dbraw/zinc/89/18/03/558891803.db2.gz WYPJNLCHGCWSPM-QGZVFWFLSA-N 1 0 420.536 3.598 40 0 HHABRO C[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019496536 558895349 /nfs/dbraw/zinc/89/53/49/558895349.db2.gz UMOVQTQKNZSTDD-QGZVFWFLSA-N 1 0 403.530 3.932 40 0 HHABRO CCOc1ncccc1C(=O)N(C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019531358 558911916 /nfs/dbraw/zinc/91/19/16/558911916.db2.gz NFFIAVFPVVINBM-UHFFFAOYSA-N 1 0 409.530 3.758 40 0 HHABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](CC2CCCCC2)C3)c(OCC)n1 ZINC000019531624 558912051 /nfs/dbraw/zinc/91/20/51/558912051.db2.gz IXUXFKUJZLVPET-LIMIJEPZSA-N 1 0 403.567 3.774 40 0 HHABRO CCOc1ccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1OC ZINC000019533865 558913253 /nfs/dbraw/zinc/91/32/53/558913253.db2.gz CJVSQYSCAWKBLP-KRWDZBQOSA-N 1 0 413.547 3.721 40 0 HHABRO CN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1nc2c(s1)[C@H]1CC[C@@H](C2)N1C ZINC000072325670 558933363 /nfs/dbraw/zinc/93/33/63/558933363.db2.gz PNTGDHHSLQECGQ-WMLDXEAASA-N 1 0 400.548 3.690 40 0 HHABRO CN(C)C(=O)Cn1cccc2c(C[N@H+](C)CCc3ccccc3)c(C(F)(F)F)nc1-2 ZINC000019581290 558936913 /nfs/dbraw/zinc/93/69/13/558936913.db2.gz DEVOIFLHJPADPY-UHFFFAOYSA-N 1 0 418.463 3.769 40 0 HHABRO O=C(COc1ccc(F)cc1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355216 558952582 /nfs/dbraw/zinc/95/25/82/558952582.db2.gz JKDHCGQCRYSQIF-IBGZPJMESA-N 1 0 411.521 3.545 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cc1 ZINC000072358402 558954073 /nfs/dbraw/zinc/95/40/73/558954073.db2.gz GBSVCCPSUKGLNC-FQEVSTJZSA-N 1 0 402.498 3.631 40 0 HHABRO Cc1nn(C)cc1-c1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c2ccccc2n1 ZINC000019664641 558955087 /nfs/dbraw/zinc/95/50/87/558955087.db2.gz OAYLNFATUUKSGA-UHFFFAOYSA-N 1 0 405.546 3.748 40 0 HHABRO Cc1cnc(Nc2cc([C@@H]3CCCN3C(=O)C3([NH3+])CCCCC3)nc(C)n2)s1 ZINC000072360845 558955762 /nfs/dbraw/zinc/95/57/62/558955762.db2.gz ZDFVABQRDZNXAQ-INIZCTEOSA-N 1 0 400.552 3.619 40 0 HHABRO CCC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCC[NH+](C)C ZINC000072370662 558957214 /nfs/dbraw/zinc/95/72/14/558957214.db2.gz AFADYJQBDLBPJQ-KRWDZBQOSA-N 1 0 415.603 3.916 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(-c3ccc(C(=O)NC)nc3)cc(C)n2)c(C)n1 ZINC000019691023 558960644 /nfs/dbraw/zinc/96/06/44/558960644.db2.gz TUXVDXRCCZCRMD-HSZRJFAPSA-N 1 0 418.545 3.674 40 0 HHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 ZINC000019694073 558962358 /nfs/dbraw/zinc/96/23/58/558962358.db2.gz NUKCDYJWCZYWBH-QGZVFWFLSA-N 1 0 408.525 3.770 40 0 HHABRO Cc1noc(CCC(=O)N2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)n1 ZINC000072375062 558963387 /nfs/dbraw/zinc/96/33/87/558963387.db2.gz ROHLOYNCMXQTGJ-SFHVURJKSA-N 1 0 420.517 3.867 40 0 HHABRO Cc1cnc(-c2nc(C[N@@H+](C)C3CCCC3)ncc2C(=O)NCc2ccccc2)cn1 ZINC000019696896 558964720 /nfs/dbraw/zinc/96/47/20/558964720.db2.gz IEPCFKXTNAIFIH-UHFFFAOYSA-N 1 0 416.529 3.546 40 0 HHABRO Cc1c(C[NH+]2CCC([C@@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cnn1C ZINC000019698500 558965990 /nfs/dbraw/zinc/96/59/90/558965990.db2.gz WQMJQXWIMVXOLN-QHCPKHFHSA-N 1 0 410.537 3.685 40 0 HHABRO Cc1c(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cnn1C ZINC000072376657 558966065 /nfs/dbraw/zinc/96/60/65/558966065.db2.gz JMNWUKLZVFNZQX-KRWDZBQOSA-N 1 0 408.525 3.770 40 0 HHABRO COc1cccc(CN2CC=CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2=O)c1 ZINC000019703728 558967644 /nfs/dbraw/zinc/96/76/44/558967644.db2.gz YYSPAECSZYLFTE-DEOSSOPVSA-N 1 0 405.542 3.907 40 0 HHABRO CCc1oc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3cnc(OC)nc3OC)[C@@H]2C1 ZINC000072392636 558972412 /nfs/dbraw/zinc/97/24/12/558972412.db2.gz YNYXESHQCBYQLB-OFJJYEOVSA-N 1 0 423.513 3.532 40 0 HHABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1OC ZINC000072395324 558974086 /nfs/dbraw/zinc/97/40/86/558974086.db2.gz MKJRYAUJEOTHNY-OAHLLOKOSA-N 1 0 417.460 3.849 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398634 558976155 /nfs/dbraw/zinc/97/61/55/558976155.db2.gz CCFVDMDIPDHLOZ-RDPSFJRHSA-N 1 0 416.525 3.869 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000072398626 558976165 /nfs/dbraw/zinc/97/61/65/558976165.db2.gz HOILGRASXBMNSQ-XXBNENTESA-N 1 0 404.489 3.999 40 0 HHABRO CCn1nc([C@@H](C)C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)c2ccccc2c1=O ZINC000019716969 558979149 /nfs/dbraw/zinc/97/91/49/558979149.db2.gz LFCHLFBQIKRRDA-LJQANCHMSA-N 1 0 424.589 3.825 40 0 HHABRO Cc1nn(C)cc1-c1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCCC2)[nH]n1 ZINC000019718754 558982139 /nfs/dbraw/zinc/98/21/39/558982139.db2.gz BFEWKXQAVGXJLY-QHCPKHFHSA-N 1 0 420.561 3.774 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCCN3C(=O)c3snnc3C)CC2)cc1 ZINC000585100806 559025453 /nfs/dbraw/zinc/02/54/53/559025453.db2.gz XGISQILWQVUFEW-NRFANRHFSA-N 1 0 400.548 3.516 40 0 HHABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CCOCC3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053403 559093369 /nfs/dbraw/zinc/09/33/69/559093369.db2.gz MLVWMJMPYIPHQU-HXUWFJFHSA-N 1 0 412.574 3.873 40 0 HHABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)CC1 ZINC000096147716 559098739 /nfs/dbraw/zinc/09/87/39/559098739.db2.gz PMNAQOYUQZAIJF-UHFFFAOYSA-N 1 0 415.541 3.800 40 0 HHABRO CC(C)CN1[C@H]2CC[N@H+](Cc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263908 559107326 /nfs/dbraw/zinc/10/73/26/559107326.db2.gz MOGSQQTWDZTYJY-SFTDATJTSA-N 1 0 414.571 3.759 40 0 HHABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](CC(=O)NCc3ccccc3)CC2)c1 ZINC000585274086 559118428 /nfs/dbraw/zinc/11/84/28/559118428.db2.gz QWJCKEJDKGXCOY-QHCPKHFHSA-N 1 0 416.949 3.561 40 0 HHABRO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1OC ZINC000585289071 559122388 /nfs/dbraw/zinc/12/23/88/559122388.db2.gz FGPUXCPESVBQQH-CZTZKLFOSA-N 1 0 405.922 3.850 40 0 HHABRO COc1ccc(C[NH+]2CCC(Nc3nc(C)nc4sc(C)cc43)CC2)cc1CO ZINC000585292930 559125506 /nfs/dbraw/zinc/12/55/06/559125506.db2.gz PXLYMUHVEUKIIK-UHFFFAOYSA-N 1 0 412.559 3.886 40 0 HHABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C[NH3+])c2ccc(OCc3ccccc3)cc2)C1 ZINC000101039309 559142892 /nfs/dbraw/zinc/14/28/92/559142892.db2.gz AYJXZURDIOKQON-RBBKRZOGSA-N 1 0 411.546 3.864 40 0 HHABRO O=C(N[C@@H](NCCN1CCCCC1)C(Cl)(Cl)Cl)[C@H]1C[C@@H]1c1ccccc1 ZINC000170614188 559278734 /nfs/dbraw/zinc/27/87/34/559278734.db2.gz NGJOOEHAMYQXBM-SOLBZPMBSA-N 1 0 418.796 3.678 40 0 HHABRO O=C1N(CCc2ccccc2)CC=CC[C@]12C[N@H+](Cc1ccc3[nH]ccc3c1)CCO2 ZINC000257217417 559282752 /nfs/dbraw/zinc/28/27/52/559282752.db2.gz CYVODJOWKGVSOL-SANMLTNESA-N 1 0 415.537 3.770 40 0 HHABRO COc1ccc(-c2cccc(CC3(C(=O)NCC[NH+]4CCCC4)CCOCC3)c2)cc1 ZINC000257258070 559284746 /nfs/dbraw/zinc/28/47/46/559284746.db2.gz KSHRADFJUMOIJB-UHFFFAOYSA-N 1 0 422.569 3.914 40 0 HHABRO C[NH+](C)CCNC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 ZINC000257268925 559284999 /nfs/dbraw/zinc/28/49/99/559284999.db2.gz MNUZERCCUXYPGH-UHFFFAOYSA-N 1 0 402.485 3.649 40 0 HHABRO CC[NH+](CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=S)NCC(C)C ZINC000004133797 560600773 /nfs/dbraw/zinc/60/07/73/560600773.db2.gz MJNRYUDCYPLLTL-UHFFFAOYSA-N 1 0 416.635 3.819 40 0 HHABRO Cc1ccc2cc(CN(CC[NH+]3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000004231325 560603079 /nfs/dbraw/zinc/60/30/79/560603079.db2.gz ZJBRACOZHOVRID-UHFFFAOYSA-N 1 0 410.562 3.777 40 0 HHABRO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)NC3CCCCC3)cc2c1 ZINC000005878260 560628447 /nfs/dbraw/zinc/62/84/47/560628447.db2.gz YYGXDFRKMAIUSP-UHFFFAOYSA-N 1 0 412.578 3.887 40 0 HHABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000409057826 560670590 /nfs/dbraw/zinc/67/05/90/560670590.db2.gz LJLBEIUFYSYSDK-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000409057822 560670597 /nfs/dbraw/zinc/67/05/97/560670597.db2.gz LJLBEIUFYSYSDK-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO COc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1Cl ZINC000010544012 560770367 /nfs/dbraw/zinc/77/03/67/560770367.db2.gz PTGLRMYHWVWWGR-BETUJISGSA-N 1 0 409.379 3.648 40 0 HHABRO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000016681638 560861215 /nfs/dbraw/zinc/86/12/15/560861215.db2.gz JKRBZKPHYDKKTN-UHFFFAOYSA-N 1 0 415.921 3.911 40 0 HHABRO C[C@@H](CC[NH+](C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118924588 560870113 /nfs/dbraw/zinc/87/01/13/560870113.db2.gz HBDQZJAFAVGPSS-XROYYRHXSA-N 1 0 407.639 3.536 40 0 HHABRO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020141119 560881459 /nfs/dbraw/zinc/88/14/59/560881459.db2.gz CAMIYSUTQMBXFL-OAQYLSRUSA-N 1 0 400.546 3.652 40 0 HHABRO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000020931124 568460737 /nfs/dbraw/zinc/46/07/37/568460737.db2.gz ZAOJQTQAJVWUCC-UHFFFAOYSA-N 1 0 419.953 3.943 40 0 HHABRO CCOc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1F ZINC000022075703 568473912 /nfs/dbraw/zinc/47/39/12/568473912.db2.gz QBZLEARFFFDVHA-HNNXBMFYSA-N 1 0 410.917 3.517 40 0 HHABRO COc1cccc(CNCC[NH2+]C[C@H](C)O)c1OCc1ccc(Cl)cc1Cl ZINC000022075202 568473979 /nfs/dbraw/zinc/47/39/79/568473979.db2.gz FGVBPHJVFVAHDV-AWEZNQCLSA-N 1 0 413.345 3.641 40 0 HHABRO COc1ccc(-c2noc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)n2)cc1 ZINC000219240500 568488375 /nfs/dbraw/zinc/48/83/75/568488375.db2.gz HPJUKXNDOJSRQH-KRWDZBQOSA-N 1 0 420.513 3.907 40 0 HHABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2c3cccnc3[nH]c2-c2ccco2)cc1 ZINC000057773474 568497651 /nfs/dbraw/zinc/49/76/51/568497651.db2.gz FLFPZOUWPMQDJP-INIZCTEOSA-N 1 0 407.470 3.703 40 0 HHABRO O=C(NCc1nc(-c2cccs2)no1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222596471 568519810 /nfs/dbraw/zinc/51/98/10/568519810.db2.gz JQMKVCSFPPIZPV-HNNXBMFYSA-N 1 0 416.934 3.980 40 0 HHABRO O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222595388 568519860 /nfs/dbraw/zinc/51/98/60/568519860.db2.gz YXHCKUGWKIPSQR-SFHVURJKSA-N 1 0 410.905 3.918 40 0 HHABRO Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222599634 568519979 /nfs/dbraw/zinc/51/99/79/568519979.db2.gz UODCIHPZTAGIRD-LJQANCHMSA-N 1 0 408.477 3.713 40 0 HHABRO Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223277175 568543860 /nfs/dbraw/zinc/54/38/60/568543860.db2.gz ZSXXYERVFWUJHH-FCHUYYIVSA-N 1 0 405.571 3.715 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000223278139 568543880 /nfs/dbraw/zinc/54/38/80/568543880.db2.gz NYOPEYKDNMTXLF-LEWJYISDSA-N 1 0 409.534 3.546 40 0 HHABRO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000223556699 568551766 /nfs/dbraw/zinc/55/17/66/568551766.db2.gz WKKCHTVFHXEVGE-XLNRJJMWSA-N 1 0 409.530 3.597 40 0 HHABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1C ZINC000224538580 568584190 /nfs/dbraw/zinc/58/41/90/568584190.db2.gz JBEWKLGXLPRAIV-UHFFFAOYSA-N 1 0 402.560 3.776 40 0 HHABRO COc1cc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000224701886 568592820 /nfs/dbraw/zinc/59/28/20/568592820.db2.gz APHZUEJFICBGOG-UHFFFAOYSA-N 1 0 402.560 3.776 40 0 HHABRO CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3nc(C)c(C)s3)cc(C)[nH+]2)C1 ZINC000257219739 568781784 /nfs/dbraw/zinc/78/17/84/568781784.db2.gz DHYZESIJVQJYBP-INIZCTEOSA-N 1 0 423.608 3.583 40 0 HHABRO 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 568799121 /nfs/dbraw/zinc/79/91/21/568799121.db2.gz ORILATLXSAXKJO-TYUWDEHNSA-N 1 0 420.601 3.975 40 0 HHABRO C[NH+](C)CC(C)(C)CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 ZINC000257292670 568802205 /nfs/dbraw/zinc/80/22/05/568802205.db2.gz QMMUZCJNIYZSQQ-UHFFFAOYSA-N 1 0 409.574 3.792 40 0 HHABRO c1cc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306125661 568888298 /nfs/dbraw/zinc/88/82/98/568888298.db2.gz CXFGWGXFCBCPDN-HXUWFJFHSA-N 1 0 413.481 3.900 40 0 HHABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)c1 ZINC000306128275 568891191 /nfs/dbraw/zinc/89/11/91/568891191.db2.gz GVVMNHSXINQNPB-DHIUTWEWSA-N 1 0 405.473 3.717 40 0 HHABRO CCn1cc(CN2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](CC(C)C)CC3)C2)cn1 ZINC000306130385 568892756 /nfs/dbraw/zinc/89/27/56/568892756.db2.gz JESCLDDOINXWCH-UHFFFAOYSA-N 1 0 412.626 3.994 40 0 HHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccc3F)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306131374 568893714 /nfs/dbraw/zinc/89/37/14/568893714.db2.gz KCUFCLVHQPOPAK-HYBUGGRVSA-N 1 0 410.537 3.831 40 0 HHABRO c1[nH]nc(-c2ccccc2)c1CN1CCO[C@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306131948 568894206 /nfs/dbraw/zinc/89/42/06/568894206.db2.gz KTSYEJGMZKFOCG-ILBGXUMGSA-N 1 0 417.557 3.775 40 0 HHABRO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)S3(=O)=O)cc1 ZINC000306133356 568895292 /nfs/dbraw/zinc/89/52/92/568895292.db2.gz MJHQEKIKJGJMBJ-UHFFFAOYSA-N 1 0 412.555 3.746 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000306134830 568896825 /nfs/dbraw/zinc/89/68/25/568896825.db2.gz NZFNHQRYYVTVMS-PKTZIBPZSA-N 1 0 405.473 3.717 40 0 HHABRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C ZINC000003989259 568931302 /nfs/dbraw/zinc/93/13/02/568931302.db2.gz XPLJEFSRINKZLC-ATVHPVEESA-N 1 0 414.937 3.849 40 0 in-vivo HHABRO COC[C@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218589382 568938436 /nfs/dbraw/zinc/93/84/36/568938436.db2.gz QZBLKSMVNIQJEB-FGTMMUONSA-N 1 0 400.327 3.525 40 0 HHABRO [NH3+]C[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242677074 568969338 /nfs/dbraw/zinc/96/93/38/568969338.db2.gz SXWKMLYESVXEBA-PMPSAXMXSA-N 1 0 400.725 3.617 40 0 HHABRO Cc1cc(Cl)cc(C)c1Nc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000328971667 568970582 /nfs/dbraw/zinc/97/05/82/568970582.db2.gz DRTJTIKSQZNVFH-UHFFFAOYSA-N 1 0 410.953 3.760 40 0 HHABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329061753 568975128 /nfs/dbraw/zinc/97/51/28/568975128.db2.gz WTICXIUILXEXIW-KRWDZBQOSA-N 1 0 405.340 3.539 40 0 HHABRO Oc1ccc2c3c1O[C@@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)[N@H+](CC2CC2)CC[C@@]314 ZINC000584577922 569048664 /nfs/dbraw/zinc/04/86/64/569048664.db2.gz ZHVWWEYETMPAMX-CCOBIDFTSA-N 1 0 415.489 3.838 40 0 HHABRO O=C(Nc1ccccc1C(=O)N1CCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063499 569342398 /nfs/dbraw/zinc/34/23/98/569342398.db2.gz IUECLNYVDNUUNU-UHFFFAOYSA-N 1 0 409.505 3.912 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000012157778 569344615 /nfs/dbraw/zinc/34/46/15/569344615.db2.gz DZBKPGVPPVYZQS-GHTZIAJQSA-N 1 0 422.554 3.930 40 0 HHABRO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4cnc(N(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704497 569347625 /nfs/dbraw/zinc/34/76/25/569347625.db2.gz INXKTKJRFAHERJ-HXUWFJFHSA-N 1 0 420.561 3.958 40 0 HHABRO COc1ccc(-n2ncc(CNC(C)=O)c2[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000019707858 569348099 /nfs/dbraw/zinc/34/80/99/569348099.db2.gz IDKHFSWGXKIFFL-LJQANCHMSA-N 1 0 422.504 3.646 40 0 HHABRO CNc1cc(CC2CC[NH+](Cc3cnc(-c4ccc(OC)cc4)nc3)CC2)nc(C)n1 ZINC000019758929 569348831 /nfs/dbraw/zinc/34/88/31/569348831.db2.gz GQWFPPQWIODCGG-UHFFFAOYSA-N 1 0 418.545 3.747 40 0 HHABRO CN(C)c1ccc(C=[N+]2NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000221332412 569356588 /nfs/dbraw/zinc/35/65/88/569356588.db2.gz SPXVQSHEQFSEPH-XZOQPEGZSA-O 1 0 413.501 3.609 40 0 HHABRO C[NH+](C)CCNc1nc(-c2ccccc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000328984125 571304649 /nfs/dbraw/zinc/30/46/49/571304649.db2.gz HLPRTPWTRANRSE-UHFFFAOYSA-N 1 0 420.414 4.113 40 0 HHABRO O=c1c(-c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(CO)o2)C1 ZINC000020503183 575369299 /nfs/dbraw/zinc/36/92/99/575369299.db2.gz LZVHJXLQFBURQO-DOTOQJQBSA-N 1 0 410.901 3.873 40 0 biogenic,in-vitro HHABRO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049169766 291260293 /nfs/dbraw/zinc/26/02/93/291260293.db2.gz VTXNROARQHTBTM-INIZCTEOSA-N 1 0 402.454 3.860 40 0 biogenic,in-vitro HHABRO O=C(Cn1nnc(-c2ccc(C[NH+]3CCCCC3)cc2)n1)Nc1ccccc1Cl ZINC000035290125 557674178 /nfs/dbraw/zinc/67/41/78/557674178.db2.gz CIUFKYASBZKPKM-UHFFFAOYSA-N 1 0 410.909 3.618 40 0 HHABRO Cc1nc(C2CC[NH+](Cc3cccc4cccnc43)CC2)nc2c1CCC(=O)N2C ZINC000019739551 558260545 /nfs/dbraw/zinc/26/05/45/558260545.db2.gz OBONHDTZTZMJRG-UHFFFAOYSA-N 1 0 401.514 3.622 40 0 HHABRO Cc1nonc1CN(C)C(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748212 558267466 /nfs/dbraw/zinc/26/74/66/558267466.db2.gz XUSKIFBGZUSPDE-UHFFFAOYSA-N 1 0 410.440 3.658 40 0 HHABRO Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019752974 558272197 /nfs/dbraw/zinc/27/21/97/558272197.db2.gz YFKYHOHIJXVVME-UHFFFAOYSA-N 1 0 414.557 3.907 40 0 HHABRO CC(C)c1ncc(C[NH+]2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)cn1 ZINC000012120876 558330585 /nfs/dbraw/zinc/33/05/85/558330585.db2.gz MKLXGKYURMFQGK-UHFFFAOYSA-N 1 0 407.566 3.902 40 0 HHABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000012131757 558332950 /nfs/dbraw/zinc/33/29/50/558332950.db2.gz PASOMSLWCUNAGA-MJGOQNOKSA-N 1 0 418.541 3.625 40 0 HHABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000012144916 558336098 /nfs/dbraw/zinc/33/60/98/558336098.db2.gz FSGUBIJXAQJZLO-QUCCMNQESA-N 1 0 418.541 3.556 40 0 HHABRO COC[C@H](C)[NH2+]Cc1cc2c(-c3ccc(F)cc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186496 558345568 /nfs/dbraw/zinc/34/55/68/558345568.db2.gz ZUOHWZDQWZKSNA-HNNXBMFYSA-N 1 0 406.461 3.644 40 0 HHABRO Cc1ccc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1C ZINC000012186597 558345623 /nfs/dbraw/zinc/34/56/23/558345623.db2.gz DYUMMQSHVKGZPU-UHFFFAOYSA-N 1 0 409.555 3.616 40 0 HHABRO COc1cc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OCc1c(C)noc1C ZINC000012241340 558360526 /nfs/dbraw/zinc/36/05/26/558360526.db2.gz IBIOWXHAVJVBHT-XMMPIXPASA-N 1 0 408.498 3.973 40 0 HHABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330302 558385453 /nfs/dbraw/zinc/38/54/53/558385453.db2.gz DIPNPKADAGYUON-XZOQPEGZSA-N 1 0 409.526 3.655 40 0 HHABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(C(C)C)cc1 ZINC000020636821 558396077 /nfs/dbraw/zinc/39/60/77/558396077.db2.gz QEBLNBFSYKRZKY-FGZHOGPDSA-N 1 0 419.525 3.575 40 0 HHABRO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000039749806 558687104 /nfs/dbraw/zinc/68/71/04/558687104.db2.gz GFRQRBHDBNWGEC-UHFFFAOYSA-N 1 0 407.558 3.564 40 0 HHABRO COc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000035828107 558795430 /nfs/dbraw/zinc/79/54/30/558795430.db2.gz YVUFEZLYZUOAFD-PWAGRJGVSA-N 1 0 405.498 3.582 40 0 HHABRO COC(=O)C1=C(C)N(C)C2=[N+](C(=O)C(c3ccccc3)S2)[C@H]1c1ccc(OC)cc1 ZINC000036624791 558800291 /nfs/dbraw/zinc/80/02/91/558800291.db2.gz PGOQDICSCPGGOA-IBGZPJMESA-O 1 0 423.514 3.903 40 0 HHABRO Fc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000036740146 558801588 /nfs/dbraw/zinc/80/15/88/558801588.db2.gz HRLOTFJGRVTQLX-UHFFFAOYSA-N 1 0 408.525 3.895 40 0 HHABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C[NH3+])c2ccc(OCc3ccccc3)cc2)C1 ZINC000038541262 558812647 /nfs/dbraw/zinc/81/26/47/558812647.db2.gz AYJXZURDIOKQON-IRLDBZIGSA-N 1 0 411.546 3.864 40 0 HHABRO O=C(CC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014903 558836993 /nfs/dbraw/zinc/83/69/93/558836993.db2.gz WGAMTHSNSZZPBX-SFHVURJKSA-N 1 0 412.578 3.769 40 0 HHABRO Cc1cc2c(cc1Br)[C@@H](O)[C@@](C[NH+]1CCCCC1)(N1CCCCC1)CO2 ZINC000019203065 558847585 /nfs/dbraw/zinc/84/75/85/558847585.db2.gz PRCHEBOJKXRRQR-RTWAWAEBSA-N 1 0 423.395 3.894 40 0 HHABRO Cc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1C ZINC000019214000 558849502 /nfs/dbraw/zinc/84/95/02/558849502.db2.gz PAWRPWPAPUISDI-QHCPKHFHSA-N 1 0 408.521 3.580 40 0 HHABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3c[nH]c4ccc(C)cc43)CC1)O2 ZINC000019220553 558851819 /nfs/dbraw/zinc/85/18/19/558851819.db2.gz CKAVJTDNQINBCN-GOTSBHOMSA-N 1 0 422.525 3.869 40 0 HHABRO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236139 558855186 /nfs/dbraw/zinc/85/51/86/558855186.db2.gz COEYZMAXCGKPEV-VWLOTQADSA-N 1 0 400.526 3.633 40 0 HHABRO O=C(c1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC000019339256 558871222 /nfs/dbraw/zinc/87/12/22/558871222.db2.gz KSIWKXVFHSZAJY-HJOGWXRNSA-N 1 0 416.500 3.746 40 0 HHABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1)c1ccccn1 ZINC000019348877 558874590 /nfs/dbraw/zinc/87/45/90/558874590.db2.gz MQCNBXANYJQPSU-QHCPKHFHSA-N 1 0 404.489 3.999 40 0 HHABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000019371227 558878989 /nfs/dbraw/zinc/87/89/89/558878989.db2.gz LHGHZOAGQRPPQP-DEOSSOPVSA-N 1 0 400.526 3.902 40 0 HHABRO COc1ccccc1C[NH2+][C@@H](c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1)C(C)C ZINC000019445482 558885478 /nfs/dbraw/zinc/88/54/78/558885478.db2.gz CVCUSCPKNLZQNU-HSZRJFAPSA-N 1 0 403.486 3.992 40 0 HHABRO COc1ncc(C[NH+]2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cn1 ZINC000019450348 558888897 /nfs/dbraw/zinc/88/88/97/558888897.db2.gz VMUHEFHVNXCRGH-UHFFFAOYSA-N 1 0 419.533 3.537 40 0 HHABRO CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019499869 558898147 /nfs/dbraw/zinc/89/81/47/558898147.db2.gz IISGUXOPNHOGQP-CQKVTUKBSA-N 1 0 400.567 3.829 40 0 HHABRO CCC(CC)C(=O)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019500239 558898342 /nfs/dbraw/zinc/89/83/42/558898342.db2.gz RNHPLPGPFFKQFT-UHFFFAOYSA-N 1 0 400.563 3.857 40 0 HHABRO CCCN1CC[N@H+](CC2=CCCOC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503260 558900508 /nfs/dbraw/zinc/90/05/08/558900508.db2.gz XTLXJQFAZNSOPN-DEOSSOPVSA-N 1 0 419.569 3.808 40 0 HHABRO CCn1ncc(C[N@@H+]2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)c1C ZINC000019523988 558905316 /nfs/dbraw/zinc/90/53/16/558905316.db2.gz PKNKVOGOXMEGQN-RBBKRZOGSA-N 1 0 402.489 3.518 40 0 HHABRO CCn1cc(C[NH+]2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)c(C)n1 ZINC000019524523 558905730 /nfs/dbraw/zinc/90/57/30/558905730.db2.gz LGNWPASWZGGLLH-UHFFFAOYSA-N 1 0 406.456 3.961 40 0 HHABRO CC[N@@H+]1CCC[C@H]1CNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000019527242 558908374 /nfs/dbraw/zinc/90/83/74/558908374.db2.gz BWSFVZKPQBIRNF-IBGZPJMESA-N 1 0 407.562 3.585 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)c(OC)c1OC ZINC000019552743 558916078 /nfs/dbraw/zinc/91/60/78/558916078.db2.gz GLGKKOOQIZAQBX-UHFFFAOYSA-N 1 0 410.474 3.537 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)c(OC)c1OC ZINC000019552740 558916093 /nfs/dbraw/zinc/91/60/93/558916093.db2.gz REHLYFMWTYJVEM-UHFFFAOYSA-N 1 0 410.474 3.537 40 0 HHABRO Cc1sc2ncn(CC3(O)CC[NH+](C[C@H](C)c4ccccc4)CC3)c(=O)c2c1C ZINC000019561489 558922240 /nfs/dbraw/zinc/92/22/40/558922240.db2.gz LOLSJKOMTJJWEB-INIZCTEOSA-N 1 0 411.571 3.705 40 0 HHABRO Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)n[nH]1 ZINC000019577851 558933760 /nfs/dbraw/zinc/93/37/60/558933760.db2.gz HYTFPQHZMUJTHV-UHFFFAOYSA-N 1 0 422.533 3.544 40 0 HHABRO Cc1nc2nc(C)c(CCC(=O)Nc3ccccc3C[NH+]3CCCCC3)c(C)n2n1 ZINC000019578495 558934130 /nfs/dbraw/zinc/93/41/30/558934130.db2.gz YIJJVTFXTKNPIV-UHFFFAOYSA-N 1 0 406.534 3.607 40 0 HHABRO Cc1oc(C(=O)N2CCN(c3nsc4ccccc43)CC2)cc1C[NH+]1CCCC1 ZINC000019582496 558937601 /nfs/dbraw/zinc/93/76/01/558937601.db2.gz BMZGKXCJJXQVJZ-UHFFFAOYSA-N 1 0 410.543 3.756 40 0 HHABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584449 558938487 /nfs/dbraw/zinc/93/84/87/558938487.db2.gz WSHQXMRBELCQGR-LJQANCHMSA-N 1 0 403.530 3.993 40 0 HHABRO C[C@@H](C[NH+]1CCN(c2c(F)cccc2[C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000072340567 558939353 /nfs/dbraw/zinc/93/93/53/558939353.db2.gz LYYGHRWBSCRPAV-MBSDFSHPSA-N 1 0 408.521 3.567 40 0 HHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019591345 558941950 /nfs/dbraw/zinc/94/19/50/558941950.db2.gz BFAYRSIVHNJRER-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO COCCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(OC)c(OC)c3)[C@H]3CCCC[C@@H]32)cn1 ZINC000019593872 558945117 /nfs/dbraw/zinc/94/51/17/558945117.db2.gz MAMHKNAQFLUGQG-WJNSRDFLSA-N 1 0 411.546 3.745 40 0 HHABRO Cc1ccccc1OC1CC[NH+](Cc2c(=O)n3ccccc3nc2N2CCCC2)CC1 ZINC000019659038 558950742 /nfs/dbraw/zinc/95/07/42/558950742.db2.gz WTOPZHOUXPJYPD-UHFFFAOYSA-N 1 0 418.541 3.647 40 0 HHABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358999 558954547 /nfs/dbraw/zinc/95/45/47/558954547.db2.gz CAJOFHHYVPGMIS-QGZVFWFLSA-N 1 0 418.463 3.964 40 0 HHABRO Cn1nccc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371593 558958774 /nfs/dbraw/zinc/95/87/74/558958774.db2.gz VSUFZGGQZAYUMK-HNNXBMFYSA-N 1 0 419.451 3.773 40 0 HHABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)CC1 ZINC000019689887 558959381 /nfs/dbraw/zinc/95/93/81/558959381.db2.gz XWFBWIKBLVYRJF-JOCHJYFZSA-N 1 0 421.589 3.995 40 0 HHABRO Cc1ccc(Cc2cc(C)nc(C3CC[NH+](CCC(=O)N4CCOCC4)CC3)c2)cc1 ZINC000019691651 558960973 /nfs/dbraw/zinc/96/09/73/558960973.db2.gz FNWNRNIGZMBOLE-UHFFFAOYSA-N 1 0 421.585 3.718 40 0 HHABRO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)C2CCCCC2)n1 ZINC000019697388 558964865 /nfs/dbraw/zinc/96/48/65/558964865.db2.gz QCRCJXOBEOOFBV-MRXNPFEDSA-N 1 0 411.525 3.942 40 0 HHABRO Cc1c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cnn1C ZINC000072376658 558966163 /nfs/dbraw/zinc/96/61/63/558966163.db2.gz JMNWUKLZVFNZQX-QGZVFWFLSA-N 1 0 408.525 3.770 40 0 HHABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H]3c3ccc(C(=O)N4CCOCC4)cn3)ccc2O1 ZINC000019708753 558971266 /nfs/dbraw/zinc/97/12/66/558971266.db2.gz QOUJKLDDNDZBTG-JOCHJYFZSA-N 1 0 421.541 3.605 40 0 HHABRO COc1ccc2c(c1)c([C@@H]1CN(Cc3ccc(OC(C)=O)cc3)C[C@H]1[NH+](C)C)cn2C ZINC000072395541 558974606 /nfs/dbraw/zinc/97/46/06/558974606.db2.gz KYSXURXQQKCPHU-UKILVPOCSA-N 1 0 421.541 3.642 40 0 HHABRO COc1ccccc1/C=C/C[NH+]1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000072395702 558974845 /nfs/dbraw/zinc/97/48/45/558974845.db2.gz QWOSEFQRPFHJFG-PDGPTWFESA-N 1 0 421.467 4.000 40 0 HHABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cc(Br)ccc2oc1=O ZINC000015188654 558987689 /nfs/dbraw/zinc/98/76/89/558987689.db2.gz AITKOWBLVUPZPO-SUMWQHHRSA-N 1 0 420.303 3.977 40 0 HHABRO O=C(COc1cccc(Cl)c1)N1CCC[C@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100721 559024386 /nfs/dbraw/zinc/02/43/86/559024386.db2.gz URFGISSVDRWIDQ-UNMCSNQZSA-N 1 0 406.954 3.745 40 0 HHABRO O=S(=O)(NC1CC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2)c1ccccc1 ZINC000585103341 559026551 /nfs/dbraw/zinc/02/65/51/559026551.db2.gz OOOUUMIKHGNYEJ-UHFFFAOYSA-N 1 0 406.498 3.688 40 0 HHABRO C[N@@H+]1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)Cc3ccccc3Cl)CC4)c2C1 ZINC000585110361 559030175 /nfs/dbraw/zinc/03/01/75/559030175.db2.gz KDOGZCFRONBABI-UHFFFAOYSA-N 1 0 420.944 3.845 40 0 HHABRO C[N@@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)c3cc(Cl)ccc3O)CC4)c2C1 ZINC000585111128 559031736 /nfs/dbraw/zinc/03/17/36/559031736.db2.gz FPIKVFXHURTYNS-UHFFFAOYSA-N 1 0 422.916 3.553 40 0 HHABRO CN1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4cccs4)CC3)c3ccccc32)CC1 ZINC000096052924 559092745 /nfs/dbraw/zinc/09/27/45/559092745.db2.gz POPYUMQXHBTUKG-FQEVSTJZSA-N 1 0 423.626 3.933 40 0 HHABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](CC3CCOCC3)CC2)Oc2ccccc21 ZINC000096053350 559093150 /nfs/dbraw/zinc/09/31/50/559093150.db2.gz UTEMLFVULUGSSS-FQEVSTJZSA-N 1 0 400.563 3.729 40 0 HHABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)CN(C(=O)c1ccc[nH]1)Cc1ccccc12 ZINC000096079612 559094788 /nfs/dbraw/zinc/09/47/88/559094788.db2.gz ZQMZBVVXNFHEND-UHFFFAOYSA-N 1 0 404.514 3.809 40 0 HHABRO O=C(NCCc1cccc(F)c1)c1ccc2ccc(N3CC[NH+](CC4CC4)CC3)n2c1 ZINC000096155933 559100118 /nfs/dbraw/zinc/10/01/18/559100118.db2.gz QHCDXXNIMZETHL-UHFFFAOYSA-N 1 0 420.532 3.583 40 0 HHABRO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216223 559101875 /nfs/dbraw/zinc/10/18/75/559101875.db2.gz WTMKYXIVJDFEBR-QHCPKHFHSA-N 1 0 413.587 3.629 40 0 HHABRO CN(C)c1cccc(C(=O)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096220995 559102012 /nfs/dbraw/zinc/10/20/12/559102012.db2.gz YFDXUBDBONWDTJ-QHCPKHFHSA-N 1 0 407.558 3.648 40 0 HHABRO Cc1cc(C(=O)N2Cc3ccccc3C3(CC[NH+](Cc4c(C)noc4C)CC3)C2)no1 ZINC000096242605 559104204 /nfs/dbraw/zinc/10/42/04/559104204.db2.gz FPXHYCQLGZSPAA-UHFFFAOYSA-N 1 0 420.513 3.778 40 0 HHABRO CCCOCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@@H+]2Cc1ccccc1 ZINC000585262484 559111008 /nfs/dbraw/zinc/11/10/08/559111008.db2.gz FCWZSVGNOFLXAF-UBFVSLLYSA-N 1 0 422.569 3.938 40 0 HHABRO Cc1nccn1CCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585272035 559117815 /nfs/dbraw/zinc/11/78/15/559117815.db2.gz KXZZASVJWQLWQW-RUZDIDTESA-N 1 0 421.541 3.676 40 0 HHABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272305 559118084 /nfs/dbraw/zinc/11/80/84/559118084.db2.gz HQBPUSULHDCPRS-HSZRJFAPSA-N 1 0 418.484 3.531 40 0 HHABRO 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 559120613 /nfs/dbraw/zinc/12/06/13/559120613.db2.gz OUVJQJSEYZKUNV-XUNDTRFRSA-N 1 0 422.654 3.864 40 0 HHABRO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c12 ZINC000017082253 559122580 /nfs/dbraw/zinc/12/25/80/559122580.db2.gz NZTGNSVSLLDOKS-IBGZPJMESA-N 1 0 401.514 3.527 40 0 HHABRO CC(=O)N1CCN(Cc2ccccc2OCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000257343125 559283610 /nfs/dbraw/zinc/28/36/10/559283610.db2.gz ZRODUBRVNYUCSK-XMMPIXPASA-N 1 0 407.558 3.567 40 0 HHABRO COc1ccc(-c2cccc(CC3(C(=O)NC4CC[NH+](C)CC4)CCOCC3)c2)cc1 ZINC000257288278 559285580 /nfs/dbraw/zinc/28/55/80/559285580.db2.gz PTPCMGHCFSQHAP-UHFFFAOYSA-N 1 0 422.569 3.912 40 0 HHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000000880619 560539677 /nfs/dbraw/zinc/53/96/77/560539677.db2.gz JITHWUMWXBHDAZ-UHFFFAOYSA-N 1 0 408.571 3.906 40 0 HHABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004133810 560600759 /nfs/dbraw/zinc/60/07/59/560600759.db2.gz CZZVTRZDFKYPDF-UHFFFAOYSA-N 1 0 416.635 3.963 40 0 HHABRO CCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004216124 560603977 /nfs/dbraw/zinc/60/39/77/560603977.db2.gz MTICFWJYAXRVSX-UHFFFAOYSA-N 1 0 402.608 3.573 40 0 HHABRO Cc1sc(NC(=O)C[NH2+]CC(c2ccccc2)c2ccccc2)c(C(N)=O)c1C ZINC000004647968 560607981 /nfs/dbraw/zinc/60/79/81/560607981.db2.gz KDRORUNYIPYTME-UHFFFAOYSA-N 1 0 407.539 3.824 40 0 HHABRO CC[NH+](CC)CCCNC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000004967057 560621914 /nfs/dbraw/zinc/62/19/14/560621914.db2.gz MKFGMSIDXGIITI-UHFFFAOYSA-N 1 0 417.648 3.539 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409057575 560670592 /nfs/dbraw/zinc/67/05/92/560670592.db2.gz HMDSIOSNZSDZIU-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000409059072 560670897 /nfs/dbraw/zinc/67/08/97/560670897.db2.gz QSZSMTUCEFFIGI-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409054568 560671356 /nfs/dbraw/zinc/67/13/56/560671356.db2.gz BYNVZQHSHCMKCB-GZUHYISBSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 ZINC000409061384 560671613 /nfs/dbraw/zinc/67/16/13/560671613.db2.gz WUMKTOUASLIKLY-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO O=C(NCCCN1CCCc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000260512195 560750949 /nfs/dbraw/zinc/75/09/49/560750949.db2.gz VQEVNKWQVATGHU-QFIPXVFZSA-N 1 0 409.549 3.997 40 0 HHABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000008253736 560753399 /nfs/dbraw/zinc/75/33/99/560753399.db2.gz DAACTBRMBBEPPZ-ZDUSSCGKSA-N 1 0 407.308 3.563 40 0 HHABRO Cc1c(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000009062905 560757304 /nfs/dbraw/zinc/75/73/04/560757304.db2.gz NGLLRZFQHVATEZ-UHFFFAOYSA-N 1 0 418.541 3.644 40 0 HHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(I)cc1 ZINC000010543043 560770233 /nfs/dbraw/zinc/77/02/33/560770233.db2.gz YYGMQLGJMTXAQZ-MRXNPFEDSA-N 1 0 400.304 3.676 40 0 HHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(I)cc1 ZINC000010543044 560770226 /nfs/dbraw/zinc/77/02/26/560770226.db2.gz YYGMQLGJMTXAQZ-INIZCTEOSA-N 1 0 400.304 3.676 40 0 HHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2c1C ZINC000012709763 560786263 /nfs/dbraw/zinc/78/62/63/560786263.db2.gz FQLZLLKMCJZKOZ-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1 ZINC000017090173 560864942 /nfs/dbraw/zinc/86/49/42/560864942.db2.gz YMWGFYHOUSQDJG-NYYWCZLTSA-N 1 0 414.962 3.618 40 0 HHABRO CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019446043 560873122 /nfs/dbraw/zinc/87/31/22/560873122.db2.gz BJJOTOMTWWBPGZ-NRFANRHFSA-N 1 0 400.546 3.508 40 0 HHABRO COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020139032 560881031 /nfs/dbraw/zinc/88/10/31/560881031.db2.gz ZHFOEYOMBYJGED-HSZRJFAPSA-N 1 0 424.593 3.837 40 0 HHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000006733511 568458723 /nfs/dbraw/zinc/45/87/23/568458723.db2.gz ZVKBSENSURYYII-XWGVYQGASA-N 1 0 400.563 3.812 40 0 HHABRO Cc1ccc(C)c(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3ccco3)CC2)c1 ZINC000057671254 568495159 /nfs/dbraw/zinc/49/51/59/568495159.db2.gz VCTUBUXBRCLRLZ-QFIPXVFZSA-N 1 0 408.550 3.841 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000223278024 568543790 /nfs/dbraw/zinc/54/37/90/568543790.db2.gz NYOPEYKDNMTXLF-SFTDATJTSA-N 1 0 409.534 3.546 40 0 HHABRO Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000223315383 568544993 /nfs/dbraw/zinc/54/49/93/568544993.db2.gz BADWKNKRMPYMJZ-PYCFMQQDSA-N 1 0 409.530 3.741 40 0 HHABRO COc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000224533107 568583877 /nfs/dbraw/zinc/58/38/77/568583877.db2.gz SXQXWSOPYGDHLV-UHFFFAOYSA-N 1 0 402.922 3.756 40 0 HHABRO O=S(=O)(Cc1ccc(Br)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224615799 568588222 /nfs/dbraw/zinc/58/82/22/568588222.db2.gz GARAWIQRVSNTDR-UHFFFAOYSA-N 1 0 423.376 3.665 40 0 HHABRO O=S(=O)(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Br)cc1 ZINC000224664086 568591243 /nfs/dbraw/zinc/59/12/43/568591243.db2.gz YYVNZBRLYCQSTQ-UHFFFAOYSA-N 1 0 423.376 3.914 40 0 HHABRO COc1cccc(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)c1 ZINC000257223035 568783015 /nfs/dbraw/zinc/78/30/15/568783015.db2.gz DVPXDDHYWNGFCN-CAIUVPPLSA-N 1 0 404.554 3.981 40 0 HHABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)CCn3ccccc3=O)C2)[nH+]1 ZINC000257224535 568783367 /nfs/dbraw/zinc/78/33/67/568783367.db2.gz FCFCMMUICVZZEC-SFHVURJKSA-N 1 0 420.488 3.841 40 0 HHABRO Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@@H]3Cc2ccccc2)cn1 ZINC000257235649 568786394 /nfs/dbraw/zinc/78/63/94/568786394.db2.gz GYUAUDPDEVMCBM-ACUMWEPGSA-N 1 0 404.558 3.874 40 0 HHABRO Cc1noc(CCC(=O)N2CCCCC[C@@H]3[N@H+](C)[C@H](Cc4ccccc4)C[C@@]32C)n1 ZINC000257244114 568788546 /nfs/dbraw/zinc/78/85/46/568788546.db2.gz IJXNPSOZAGALBB-DPLHUUCSSA-N 1 0 410.562 3.787 40 0 HHABRO COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)C[NH+]4CCCCCC4)C3)o2)c1 ZINC000257252387 568790926 /nfs/dbraw/zinc/79/09/26/568790926.db2.gz JUQPIXFOWLQNGF-HXUWFJFHSA-N 1 0 411.546 3.856 40 0 HHABRO COc1ccccc1CCC(=O)N1CC[C@@H](c2cc(Nc3ncccn3)cc(C)[nH+]2)C1 ZINC000257279974 568798454 /nfs/dbraw/zinc/79/84/54/568798454.db2.gz OIYGNVBNHNLBPQ-LJQANCHMSA-N 1 0 417.513 3.881 40 0 HHABRO COc1cccc([C@@H]2OCC[C@@]3(NC(C)=O)[C@H]2C[C@@H]2C[C@H]3[C@@H](C)[NH2+]C2(C)C)c1F ZINC000257288684 568801007 /nfs/dbraw/zinc/80/10/07/568801007.db2.gz PVDWFZRWCRSAQJ-WYCRXINPSA-N 1 0 404.526 3.583 40 0 HHABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(S(=O)(=O)N4CCCC4)C3)c2)cc1 ZINC000257289595 568801246 /nfs/dbraw/zinc/80/12/46/568801246.db2.gz PZIPMXBCVAICKD-SFHVURJKSA-N 1 0 400.548 3.572 40 0 HHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@]2(C[C@@H](Oc3ccc(F)c(Cl)c3)CO2)C1 ZINC000257289627 568801282 /nfs/dbraw/zinc/80/12/82/568801282.db2.gz PZMSPQSDHGUKHK-XMSQKQJNSA-N 1 0 424.944 3.884 40 0 HHABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(S(=O)(=O)N3CCCCC3)C2)[nH+]1 ZINC000257289697 568801398 /nfs/dbraw/zinc/80/13/98/568801398.db2.gz PZVDSHXTYMVMEY-KRWDZBQOSA-N 1 0 418.538 3.793 40 0 HHABRO Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000257293253 568802474 /nfs/dbraw/zinc/80/24/74/568802474.db2.gz QOSRBPGVFOGQKI-UHFFFAOYSA-N 1 0 420.492 3.881 40 0 HHABRO O=C1CO[C@]2(CN1Cc1ccccc1)CCC[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000257293144 568802480 /nfs/dbraw/zinc/80/24/80/568802480.db2.gz QOIAYKAOJCSLQI-HSZRJFAPSA-N 1 0 400.469 3.749 40 0 HHABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@](C(N)=O)(c2ccccn2)C1 ZINC000257297744 568803662 /nfs/dbraw/zinc/80/36/62/568803662.db2.gz RIQPGTGNLIDQGF-VWLOTQADSA-N 1 0 401.510 3.776 40 0 HHABRO COc1ccc(OC)c(-c2n[nH]c(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[NH2+]C4)c2C)c1 ZINC000257303756 568805706 /nfs/dbraw/zinc/80/57/06/568805706.db2.gz SIODTMUYIMETET-RXYORGTDSA-N 1 0 424.545 3.538 40 0 HHABRO Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1O ZINC000257306945 568806570 /nfs/dbraw/zinc/80/65/70/568806570.db2.gz SWQZRWYVBFFUHX-WXFUMESZSA-N 1 0 424.589 3.794 40 0 HHABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257307365 568806695 /nfs/dbraw/zinc/80/66/95/568806695.db2.gz SYHZEKWGDCATCU-KRWDZBQOSA-N 1 0 418.538 3.793 40 0 HHABRO C[NH+](C)CC(C)(C)CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257313065 568808140 /nfs/dbraw/zinc/80/81/40/568808140.db2.gz UQWMMIHGRFXHJR-UHFFFAOYSA-N 1 0 409.574 3.792 40 0 HHABRO Cc1cccnc1Nc1cncc(C2CCN(C(=O)CC[C@@H](C)[NH+]3CCCC3)CC2)n1 ZINC000257317010 568809448 /nfs/dbraw/zinc/80/94/48/568809448.db2.gz VHYNQOUDCQAQGB-LJQANCHMSA-N 1 0 422.577 3.894 40 0 HHABRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257317512 568809622 /nfs/dbraw/zinc/80/96/22/568809622.db2.gz VKAFAOXOFHXYFT-RMMBEPAUSA-N 1 0 418.603 3.541 40 0 HHABRO Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@@H]3Cc2ccccc2)n1 ZINC000257323600 568811500 /nfs/dbraw/zinc/81/15/00/568811500.db2.gz WLAQEGACPWBLQQ-ACUMWEPGSA-N 1 0 404.558 3.874 40 0 HHABRO Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@@H]([NH3+])CC(C)C)CC[C@@H]3O[C@H]21 ZINC000257330796 568813389 /nfs/dbraw/zinc/81/33/89/568813389.db2.gz XQBOYYVCTWKYRK-PZPBNIOOSA-N 1 0 400.563 3.834 40 0 HHABRO CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2cccnc2)CC1 ZINC000257343007 568816971 /nfs/dbraw/zinc/81/69/71/568816971.db2.gz ZRAVSJPRYJWXKP-UHFFFAOYSA-N 1 0 400.526 3.715 40 0 HHABRO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026780732 568831382 /nfs/dbraw/zinc/83/13/82/568831382.db2.gz MKXJSHZPYZGLHI-GOSISDBHSA-N 1 0 414.855 3.921 40 0 HHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccc(F)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306126137 568888900 /nfs/dbraw/zinc/88/89/00/568888900.db2.gz DOANAYSLPFOABI-ZJSXRUAMSA-N 1 0 410.537 3.831 40 0 HHABRO CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000306127977 568890773 /nfs/dbraw/zinc/89/07/73/568890773.db2.gz GMTIYXPWSYIPCZ-UHFFFAOYSA-N 1 0 409.484 3.660 40 0 HHABRO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131552 568893911 /nfs/dbraw/zinc/89/39/11/568893911.db2.gz KIKDHYZLOYQPGL-OAQYLSRUSA-N 1 0 405.546 3.508 40 0 HHABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306143361 568904923 /nfs/dbraw/zinc/90/49/23/568904923.db2.gz YAEMZNQHDNWWFF-HSZRJFAPSA-N 1 0 407.445 3.593 40 0 HHABRO COc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 ZINC000306144035 568905377 /nfs/dbraw/zinc/90/53/77/568905377.db2.gz YTZGROZNZXNVHI-FCHUYYIVSA-N 1 0 405.473 3.717 40 0 HHABRO CCOC[C@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610874 568939757 /nfs/dbraw/zinc/93/97/57/568939757.db2.gz WQIRXLPCLCLVOB-CEXWTWQISA-N 1 0 414.354 3.915 40 0 HHABRO COC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242648545 568968775 /nfs/dbraw/zinc/96/87/75/568968775.db2.gz QZBLKSMVNIQJEB-KZNAEPCWSA-N 1 0 400.327 3.525 40 0 HHABRO Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328957907 568969448 /nfs/dbraw/zinc/96/94/48/568969448.db2.gz AMCSZOZFVINVLE-KRWDZBQOSA-N 1 0 410.440 3.675 40 0 HHABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242701895 568970183 /nfs/dbraw/zinc/97/01/83/568970183.db2.gz WQIRXLPCLCLVOB-GUDVDZBRSA-N 1 0 414.354 3.915 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)n1 ZINC000328986456 568971461 /nfs/dbraw/zinc/97/14/61/568971461.db2.gz HYTCPJJUFXBGBH-UHFFFAOYSA-N 1 0 408.255 3.753 40 0 HHABRO Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329007558 568972396 /nfs/dbraw/zinc/97/23/96/568972396.db2.gz LKMNANLIPAYTTH-KRWDZBQOSA-N 1 0 410.440 3.675 40 0 HHABRO COc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000329018369 568972814 /nfs/dbraw/zinc/97/28/14/568972814.db2.gz NQYAIOAMJUAKHB-UHFFFAOYSA-N 1 0 411.937 3.757 40 0 HHABRO CC(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 ZINC000019235128 569345334 /nfs/dbraw/zinc/34/53/34/569345334.db2.gz OWRKYZZCMGGWSI-UQBPGWFLSA-N 1 0 407.558 3.538 40 0 HHABRO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000019739137 569348698 /nfs/dbraw/zinc/34/86/98/569348698.db2.gz MUXLQQOMFKUYFN-QHCPKHFHSA-N 1 0 411.502 3.734 40 0 HHABRO Cc1cc(NC(=O)NCC[NH+]2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000034375693 571313599 /nfs/dbraw/zinc/31/35/99/571313599.db2.gz WYJCYXOCHXWTHG-UHFFFAOYSA-N 1 0 418.541 3.734 40 0 in-man HHABRO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000020503447 575369589 /nfs/dbraw/zinc/36/95/89/575369589.db2.gz RPIWSYKIWATWMS-FUHWJXTLSA-N 1 0 422.550 3.942 40 0 biogenic,in-vitro HHABRO C=CC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(OC)cc1N1CCC([NH+](C)C)CC1 ZINC000498050811 1001622003 /nfs/dbraw/zinc/62/20/03/1001622003.db2.gz FKHBXDRZYHNBLX-UHFFFAOYSA-N 1 0 418.538 3.697 40 0 HHABRO COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](C[NH2+]Cc4ccccc4)O3)no2)cc1 ZINC000077263312 291253749 /nfs/dbraw/zinc/25/37/49/291253749.db2.gz LEYIDIUEXDKCGN-WPFOTENUSA-N 1 0 408.498 3.591 40 0 biogenic,in-vitro HHABRO Cn1nc(-c2ccccc2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)NC1CCCCC1 ZINC000008635339 291257922 /nfs/dbraw/zinc/25/79/22/291257922.db2.gz LRQZDOXBMAHDBC-NNWRFLSQSA-N 1 0 421.589 3.897 40 0 biogenic,in-vitro HHABRO O=C1c2ccccc2C(=O)N1CCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000007498861 132324733 /nfs/dbraw/zinc/32/47/33/132324733.db2.gz QQIMPMKARDNOLW-UHFFFAOYSA-N 1 0 411.933 3.929 40 0 HHABRO COc1cc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc(OC)c1OC ZINC000044917677 522434687 /nfs/dbraw/zinc/43/46/87/522434687.db2.gz ZNABGLSCLYVOHV-KRWDZBQOSA-N 1 0 412.530 3.874 40 0 HHABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359682 526731814 /nfs/dbraw/zinc/73/18/14/526731814.db2.gz JKMULUKKLONUGN-KRWDZBQOSA-N 1 0 418.463 3.964 40 0 HHABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=O)Nc3ccccc3)cc2c1 ZINC000004231351 557530691 /nfs/dbraw/zinc/53/06/91/557530691.db2.gz BSIMIKVFPPTNEJ-UHFFFAOYSA-N 1 0 404.514 3.966 40 0 HHABRO C[C@@](Cc1ccc2c(c1)OCO2)([NH2+]Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000035467936 557576665 /nfs/dbraw/zinc/57/66/65/557576665.db2.gz PZMNBZVYCGDJGD-VWLOTQADSA-N 1 0 402.494 3.823 40 0 HHABRO CCOC(=O)C1=C(C)NC(=[NH2+])N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408731602 557795660 /nfs/dbraw/zinc/79/56/60/557795660.db2.gz NWNNFVFSXOFLCE-NRFANRHFSA-N 1 0 409.486 3.670 40 0 HHABRO COc1cccc(C[NH+]2CCC(c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)CC2)c1 ZINC000019739331 558260234 /nfs/dbraw/zinc/26/02/34/558260234.db2.gz OTTPZQUHIGMBRP-UHFFFAOYSA-N 1 0 420.557 3.862 40 0 HHABRO C[C@@H](NC(=O)CC1CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1)c1ccccc1 ZINC000019748612 558267965 /nfs/dbraw/zinc/26/79/65/558267965.db2.gz HSGGJJUQWBAQCL-LJQANCHMSA-N 1 0 407.562 3.556 40 0 HHABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766362 558278849 /nfs/dbraw/zinc/27/88/49/558278849.db2.gz OIKNLGPTBFFIFD-FQEVSTJZSA-N 1 0 419.504 3.629 40 0 HHABRO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020110199 558335244 /nfs/dbraw/zinc/33/52/44/558335244.db2.gz PWZACIZLWRQQNV-LJQANCHMSA-N 1 0 423.557 3.937 40 0 HHABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCC[C@H]3CCOC3)cc12 ZINC000012186390 558345470 /nfs/dbraw/zinc/34/54/70/558345470.db2.gz MSYRAGMWYVUDGC-KRWDZBQOSA-N 1 0 408.546 3.918 40 0 HHABRO Cn1cc(C(=O)NC2CC[NH+](C[C@@H](c3ccccc3)C3CCCCC3)CC2)ccc1=O ZINC000012188825 558347353 /nfs/dbraw/zinc/34/73/53/558347353.db2.gz RDXMBWAEVIIPDI-DEOSSOPVSA-N 1 0 421.585 3.944 40 0 HHABRO C[C@]12C[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 ZINC000012231802 558358039 /nfs/dbraw/zinc/35/80/39/558358039.db2.gz XOPQFGOGUZLCPI-OFVILXPXSA-N 1 0 419.525 3.581 40 0 HHABRO COc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(C)ccc1O2 ZINC000012293239 558366178 /nfs/dbraw/zinc/36/61/78/558366178.db2.gz XDGAUBKGOQPUIK-DHIUTWEWSA-N 1 0 422.525 3.869 40 0 HHABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293684 558367038 /nfs/dbraw/zinc/36/70/38/558367038.db2.gz UWPPSFUFJORMIT-NHCUHLMSSA-N 1 0 401.478 3.609 40 0 HHABRO COc1ccc2[nH]c(C)c([C@H](O)C[NH+]3CCC4(CC3)C[C@H](O)c3ccccc3O4)c2c1 ZINC000012329195 558383720 /nfs/dbraw/zinc/38/37/20/558383720.db2.gz UBGJGDAUHGIRSY-FCHUYYIVSA-N 1 0 422.525 3.869 40 0 HHABRO COc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)c1OC ZINC000012329996 558384924 /nfs/dbraw/zinc/38/49/24/558384924.db2.gz LCTLBNFMSOWHOF-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCC4)CC1)C[C@H]2O ZINC000012330159 558385121 /nfs/dbraw/zinc/38/51/21/558385121.db2.gz SIHJWSCPLWQSJJ-DHIUTWEWSA-N 1 0 409.526 3.568 40 0 HHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3ccccc3F)C1)O2 ZINC000012407696 558398419 /nfs/dbraw/zinc/39/84/19/558398419.db2.gz CVVADQOJEXTCJE-NTKDMRAZSA-N 1 0 412.505 3.856 40 0 HHABRO Cc1cccc(OCC[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 ZINC000012407930 558398939 /nfs/dbraw/zinc/39/89/39/558398939.db2.gz KWNKQFMPYLOJIT-ZWKOTPCHSA-N 1 0 409.456 3.665 40 0 HHABRO CCOc1cc(CNCC[NH2+]CCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075389 558462433 /nfs/dbraw/zinc/46/24/33/558462433.db2.gz YUEWAFGLLWQSHK-UHFFFAOYSA-N 1 0 413.345 3.643 40 0 HHABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1)Nc1ccccc1 ZINC000022607400 558500866 /nfs/dbraw/zinc/50/08/66/558500866.db2.gz XQMHCQHAXMXOMU-CQSZACIVSA-N 1 0 419.272 3.653 40 0 HHABRO C[NH+](C)CCN(Cc1cccnc1)Cc1ccccc1OCc1ccc2c(c1)OCO2 ZINC000022931645 558524445 /nfs/dbraw/zinc/52/44/45/558524445.db2.gz HXGQOVMHRUCHMF-UHFFFAOYSA-N 1 0 419.525 3.953 40 0 HHABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)CC1 ZINC000030939907 558745411 /nfs/dbraw/zinc/74/54/11/558745411.db2.gz OCPMBSFKHZRPCC-UHFFFAOYSA-N 1 0 421.541 3.643 40 0 HHABRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(OC)c1OC ZINC000038754388 558814149 /nfs/dbraw/zinc/81/41/49/558814149.db2.gz BREFQDAQRBFVOS-UHFFFAOYSA-N 1 0 412.530 3.874 40 0 HHABRO O=C(Nc1ccccc1C(=O)N1CCCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038854746 558819205 /nfs/dbraw/zinc/81/92/05/558819205.db2.gz LNCOVDGXWCPWSM-IBGZPJMESA-N 1 0 409.505 3.912 40 0 HHABRO O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038854743 558819291 /nfs/dbraw/zinc/81/92/91/558819291.db2.gz LNCOVDGXWCPWSM-LJQANCHMSA-N 1 0 409.505 3.912 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000019019593 558837582 /nfs/dbraw/zinc/83/75/82/558837582.db2.gz QUCPNANEXSEAES-NLFFAJNJSA-N 1 0 424.541 3.726 40 0 HHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3ccsc3)C1)O2 ZINC000019019600 558837625 /nfs/dbraw/zinc/83/76/25/558837625.db2.gz UDXSLKIBBDLZKJ-XMSQKQJNSA-N 1 0 400.544 3.778 40 0 HHABRO Cc1cccc(CC(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1 ZINC000019234855 558854011 /nfs/dbraw/zinc/85/40/11/558854011.db2.gz BEMCRKUTZXCELR-UHFFFAOYSA-N 1 0 420.532 3.858 40 0 HHABRO COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1OC ZINC000019285163 558859699 /nfs/dbraw/zinc/85/96/99/558859699.db2.gz JRWQONSBUASZPQ-FQEVSTJZSA-N 1 0 418.497 3.650 40 0 HHABRO CN(C(=O)c1cc(C2CC2)nn1C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019288808 558861577 /nfs/dbraw/zinc/86/15/77/558861577.db2.gz QNFWNYRFLOGYGQ-UHFFFAOYSA-N 1 0 408.546 3.575 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000019290185 558862699 /nfs/dbraw/zinc/86/26/99/558862699.db2.gz ZOFPZJCOXIQNKC-KRWDZBQOSA-N 1 0 408.575 3.918 40 0 HHABRO Fc1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019335925 558869972 /nfs/dbraw/zinc/86/99/72/558869972.db2.gz GRRPBXOXJTZVDN-JCGIZDLHSA-N 1 0 409.456 3.589 40 0 HHABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019370392 558878630 /nfs/dbraw/zinc/87/86/30/558878630.db2.gz IKGONPDUUWLZKG-RCZVLFRGSA-N 1 0 400.526 3.789 40 0 HHABRO O=C(N[C@@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)no1 ZINC000019376066 558882345 /nfs/dbraw/zinc/88/23/45/558882345.db2.gz ZUOMCPVSTIBDEL-LJQANCHMSA-N 1 0 420.513 3.511 40 0 HHABRO O=C(c1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000019401851 558883762 /nfs/dbraw/zinc/88/37/62/558883762.db2.gz MCJGZHUFOCMKRJ-HJOGWXRNSA-N 1 0 416.500 3.746 40 0 HHABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019462582 558894128 /nfs/dbraw/zinc/89/41/28/558894128.db2.gz BZHUICHNRVUVJW-IAGOWNOFSA-N 1 0 409.578 3.942 40 0 HHABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 ZINC000019500941 558898776 /nfs/dbraw/zinc/89/87/76/558898776.db2.gz QNIDJLJFXFDYKC-CEXWTWQISA-N 1 0 423.552 3.685 40 0 HHABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](c2csnn2)C1 ZINC000019500960 558898787 /nfs/dbraw/zinc/89/87/87/558898787.db2.gz UOHNIWRUFCGOHJ-YSIASYRMSA-N 1 0 414.575 3.521 40 0 HHABRO CCN1CC[N@H+](Cc2cccnc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527450 558908740 /nfs/dbraw/zinc/90/87/40/558908740.db2.gz NCAMEOAJQGRLBC-XMMPIXPASA-N 1 0 400.526 3.667 40 0 HHABRO CCN1CC[N@H+](Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527713 558908915 /nfs/dbraw/zinc/90/89/15/558908915.db2.gz UYSLGQQFNWYFON-QHCPKHFHSA-N 1 0 414.553 3.975 40 0 HHABRO COc1cc2c(cc1C[NH+]1CCC(O)(Cn3cnc4ccccc43)CC1)CCCC2 ZINC000019550546 558915231 /nfs/dbraw/zinc/91/52/31/558915231.db2.gz UQPHHRDZPVSPBK-UHFFFAOYSA-N 1 0 405.542 3.951 40 0 HHABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)C2CCCC2)cc1OC ZINC000019561445 558922207 /nfs/dbraw/zinc/92/22/07/558922207.db2.gz LSKDKCWEDUSRLF-YADHBBJMSA-N 1 0 408.542 3.978 40 0 HHABRO COc1ccc2[nH]c(C[N@@H+]3C[C@@H](c4ccccn4)[C@]4(C3)CCCCC(=O)N4)c(C)c2c1 ZINC000019565526 558925465 /nfs/dbraw/zinc/92/54/65/558925465.db2.gz WRCJIRCEFHMEGF-NBGIEHNGSA-N 1 0 418.541 3.908 40 0 HHABRO COCCC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2[nH]c3ccccc3c2C)CC1 ZINC000019565886 558925835 /nfs/dbraw/zinc/92/58/35/558925835.db2.gz FYVSBSVGTKZJLM-VWLOTQADSA-N 1 0 420.557 3.977 40 0 HHABRO COc1cccc2ccc(C[N@@H+]3CCC[C@@H](c4cc(C(=O)NC5CC5)on4)C3)nc21 ZINC000019568445 558927495 /nfs/dbraw/zinc/92/74/95/558927495.db2.gz UPWUWHQVPNJQQB-MRXNPFEDSA-N 1 0 406.486 3.503 40 0 HHABRO Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCCCCC2)c1 ZINC000019578588 558934199 /nfs/dbraw/zinc/93/41/99/558934199.db2.gz QVAVOBXVKHXOSP-UHFFFAOYSA-N 1 0 406.534 3.688 40 0 HHABRO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019579603 558935316 /nfs/dbraw/zinc/93/53/16/558935316.db2.gz AMZCLKFWZXAOLH-DEOSSOPVSA-N 1 0 404.514 3.650 40 0 HHABRO CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019580434 558936113 /nfs/dbraw/zinc/93/61/13/558936113.db2.gz RXYAHQQTPSHEMA-VWLOTQADSA-N 1 0 400.526 3.667 40 0 HHABRO Cc1cc2nc(C3CC[NH+](Cc4cc5ccccc5nc4N(C)C)CC3)cc(N)n2n1 ZINC000072337310 558937822 /nfs/dbraw/zinc/93/78/22/558937822.db2.gz NERYGQCONICIIQ-UHFFFAOYSA-N 1 0 415.545 3.614 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c(F)c1 ZINC000019584756 558938803 /nfs/dbraw/zinc/93/88/03/558938803.db2.gz WYRSXOKHSOQPPD-UHFFFAOYSA-N 1 0 422.508 3.527 40 0 HHABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+]2CCc2ccc(Cl)cc2)c1 ZINC000072354737 558952019 /nfs/dbraw/zinc/95/20/19/558952019.db2.gz JWIDEADLAICFLD-HXUWFJFHSA-N 1 0 421.932 3.858 40 0 HHABRO O=C(COc1ccc(F)cc1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355215 558952488 /nfs/dbraw/zinc/95/24/88/558952488.db2.gz JKDHCGQCRYSQIF-LJQANCHMSA-N 1 0 411.521 3.545 40 0 HHABRO CC(=O)n1cc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072361016 558955746 /nfs/dbraw/zinc/95/57/46/558955746.db2.gz VJAYFFIJKIDZRP-HNNXBMFYSA-N 1 0 418.522 4.000 40 0 HHABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4oc5ccc(C)cc5c4C)C[C@H]32)c(OC)n1 ZINC000072392639 558972395 /nfs/dbraw/zinc/97/23/95/558972395.db2.gz LOABCTMYMBZSNO-LSRZYVKLSA-N 1 0 423.513 3.586 40 0 HHABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1OC ZINC000072395323 558974065 /nfs/dbraw/zinc/97/40/65/558974065.db2.gz MKJRYAUJEOTHNY-HNNXBMFYSA-N 1 0 417.460 3.849 40 0 HHABRO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@@H+](C4CCOCC4)C3)on2)cc1 ZINC000072396048 558974926 /nfs/dbraw/zinc/97/49/26/558974926.db2.gz JXBAXCXZVUZFGM-XMMPIXPASA-N 1 0 411.546 3.542 40 0 HHABRO C[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)[C@H]1C ZINC000257261589 558995041 /nfs/dbraw/zinc/99/50/41/558995041.db2.gz LHZUQDZNUSSQCI-LVFSCSRESA-N 1 0 402.539 3.507 40 0 HHABRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100234 559023833 /nfs/dbraw/zinc/02/38/33/559023833.db2.gz IJNUYKXJMPSAMA-VWLOTQADSA-N 1 0 411.590 3.780 40 0 HHABRO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@H+](CCOC)C(C)C)C2)CC1 ZINC000585104538 559027043 /nfs/dbraw/zinc/02/70/43/559027043.db2.gz QACFOQDSAWMNKG-OAQYLSRUSA-N 1 0 402.579 3.617 40 0 HHABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]21)c1ccncc1 ZINC000585109616 559029381 /nfs/dbraw/zinc/02/93/81/559029381.db2.gz FILWFROEYOBJLZ-KMDXXIMOSA-N 1 0 417.484 3.800 40 0 HHABRO COc1cccc(NC(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)c1 ZINC000096145283 559097253 /nfs/dbraw/zinc/09/72/53/559097253.db2.gz IAYVAUFQXAGFIB-ZJSXRUAMSA-N 1 0 422.529 3.652 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 ZINC000096215639 559101803 /nfs/dbraw/zinc/10/18/03/559101803.db2.gz IAEUGHRBBNBHNL-DEOSSOPVSA-N 1 0 408.498 3.552 40 0 HHABRO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216228 559101814 /nfs/dbraw/zinc/10/18/14/559101814.db2.gz WTMKYXIVJDFEBR-HSZRJFAPSA-N 1 0 413.587 3.629 40 0 HHABRO Cc1ccc(N2CCN(CC3CC3)C3(CC[NH+](Cc4ccsc4)CC3)C2=O)cn1 ZINC000096230381 559102985 /nfs/dbraw/zinc/10/29/85/559102985.db2.gz NSCKNIZMATTYOZ-UHFFFAOYSA-N 1 0 410.587 3.545 40 0 HHABRO COc1cc(N2Cc3ccccc3C3(CC[NH+](Cc4c(C)noc4C)CC3)C2)ncn1 ZINC000096242603 559104137 /nfs/dbraw/zinc/10/41/37/559104137.db2.gz PAPOZBVIUZHIRU-UHFFFAOYSA-N 1 0 419.529 3.644 40 0 HHABRO COc1cccc(C[NH2+][C@@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)c1 ZINC000100744453 559139517 /nfs/dbraw/zinc/13/95/17/559139517.db2.gz UOIXGXSQJGFBAW-HSZRJFAPSA-N 1 0 403.486 3.992 40 0 HHABRO COc1cccc(C[N@@H+]2CCc3[nH]c4cc(-c5cc(C)oc5C)nn4c(=O)c3C2)c1 ZINC000100755789 559139767 /nfs/dbraw/zinc/13/97/67/559139767.db2.gz DVEVLJTVGFAWFL-UHFFFAOYSA-N 1 0 404.470 3.879 40 0 HHABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCCc2ccccc2)CC1 ZINC000257249391 559284440 /nfs/dbraw/zinc/28/44/40/559284440.db2.gz JICHUYNSUNDKQO-RUZDIDTESA-N 1 0 410.558 3.604 40 0 HHABRO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCCC[NH+](C)C)CCCO2)c1 ZINC000257290794 559285788 /nfs/dbraw/zinc/28/57/88/559285788.db2.gz QEIYGFVSFGOPRG-RUZDIDTESA-N 1 0 410.558 3.912 40 0 HHABRO c1ccc(CCC[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425285 560080292 /nfs/dbraw/zinc/08/02/92/560080292.db2.gz BBWFFELPWGZQIA-NRFANRHFSA-N 1 0 419.529 3.738 40 0 biogenic,in-vitro HHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000002409930 560584913 /nfs/dbraw/zinc/58/49/13/560584913.db2.gz ZVKBSENSURYYII-OEMFJLHTSA-N 1 0 400.563 3.812 40 0 HHABRO Cc1cc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000004133022 560600285 /nfs/dbraw/zinc/60/02/85/560600285.db2.gz QFLVYGGNAREJGP-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)cc12 ZINC000004133520 560600630 /nfs/dbraw/zinc/60/06/30/560600630.db2.gz CBWBVAQIOCDACW-UHFFFAOYSA-N 1 0 422.598 3.583 40 0 HHABRO Cc1cc(C)c2cc(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000004133551 560600632 /nfs/dbraw/zinc/60/06/32/560600632.db2.gz ZWRXSQNDSSFAIO-UHFFFAOYSA-N 1 0 422.598 3.583 40 0 HHABRO CC[C@@H](C)NC(=S)N(CC[NH+](CC)CC)Cc1cc2cccc(C)c2[nH]c1=O ZINC000004161949 560602077 /nfs/dbraw/zinc/60/20/77/560602077.db2.gz NCTJHZWOKXAODR-QGZVFWFLSA-N 1 0 402.608 3.653 40 0 HHABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccc(F)cc3)cc12 ZINC000004231249 560602990 /nfs/dbraw/zinc/60/29/90/560602990.db2.gz ZMWLCEXMYHZRLB-UHFFFAOYSA-N 1 0 410.493 3.880 40 0 HHABRO CC[NH+](CC)CCCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000005027103 560623713 /nfs/dbraw/zinc/62/37/13/560623713.db2.gz JRCKELRLYCLNDC-UHFFFAOYSA-N 1 0 416.469 3.696 40 0 HHABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409056677 560670357 /nfs/dbraw/zinc/67/03/57/560670357.db2.gz HSSSLAKFAWVAQU-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409059373 560670860 /nfs/dbraw/zinc/67/08/60/560670860.db2.gz MRARDBMAVPPAHB-LEMNDLQOSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409054570 560671362 /nfs/dbraw/zinc/67/13/62/560671362.db2.gz BYNVZQHSHCMKCB-LEMNDLQOSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 ZINC000409055153 560671424 /nfs/dbraw/zinc/67/14/24/560671424.db2.gz KDPCTNNYQDGMRC-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409060995 560672678 /nfs/dbraw/zinc/67/26/78/560672678.db2.gz BGURUKGTRUOSGN-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)ccc1Cl ZINC000101319413 560728513 /nfs/dbraw/zinc/72/85/13/560728513.db2.gz HKXVMSYONLHLLP-KRWDZBQOSA-N 1 0 402.281 3.939 40 0 HHABRO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101319363 560728518 /nfs/dbraw/zinc/72/85/18/560728518.db2.gz YWEPKAIIHAQMJQ-SFHVURJKSA-N 1 0 402.281 3.939 40 0 HHABRO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000004301614 560895432 /nfs/dbraw/zinc/89/54/32/560895432.db2.gz ANGKSUGPKQOCDU-PSLXWICFSA-N 1 0 413.518 3.802 40 0 HHABRO CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022928758 568500120 /nfs/dbraw/zinc/50/01/20/568500120.db2.gz WWXXBGUTZMNWRG-OAQYLSRUSA-N 1 0 414.573 3.997 40 0 HHABRO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cccc(OC(F)(F)F)c1 ZINC000025224603 568517459 /nfs/dbraw/zinc/51/74/59/568517459.db2.gz BSLYNWJLSPJIAB-GOSISDBHSA-N 1 0 417.387 3.531 40 0 HHABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccncc1 ZINC000223487435 568550243 /nfs/dbraw/zinc/55/02/43/568550243.db2.gz NAKSDBNTCUZNMP-VXKWHMMOSA-N 1 0 412.522 3.835 40 0 HHABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccccc2F)CCOCC1 ZINC000225571239 568652469 /nfs/dbraw/zinc/65/24/69/568652469.db2.gz IKHNOIIGZJVNFM-UHFFFAOYSA-N 1 0 412.505 3.987 40 0 HHABRO Cc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1N1CCCC1=O ZINC000225731199 568668702 /nfs/dbraw/zinc/66/87/02/568668702.db2.gz PPYSPQAHGNOGBU-IRXDYDNUSA-N 1 0 402.608 3.776 40 0 HHABRO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225743439 568670611 /nfs/dbraw/zinc/67/06/11/568670611.db2.gz ICAWPYLUBYYSKE-UHFFFAOYSA-N 1 0 417.962 3.861 40 0 HHABRO Cc1nc(C)c(C[NH+]2CCC3(CC[C@@H]4ON=C(C(=O)NC5CCCC5)[C@@H]43)CC2)s1 ZINC000247973437 568746321 /nfs/dbraw/zinc/74/63/21/568746321.db2.gz UAMJVBWHQVTPLZ-PKOBYXMFSA-N 1 0 416.591 3.566 40 0 HHABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccncc2)CC1 ZINC000257228054 568784390 /nfs/dbraw/zinc/78/43/90/568784390.db2.gz FSCHBQPJIWJNNM-UHFFFAOYSA-N 1 0 400.526 3.715 40 0 HHABRO COCCc1ncc(C[N@@H+]2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)cn1 ZINC000257245974 568789000 /nfs/dbraw/zinc/78/90/00/568789000.db2.gz IRYAAFGRTCZHEW-GOSISDBHSA-N 1 0 422.508 3.636 40 0 HHABRO CN1C(=O)C2(CC[NH+](Cc3ccc4ncccc4c3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257302262 568805070 /nfs/dbraw/zinc/80/50/70/568805070.db2.gz SCEQUTZOCMIPLN-RPWUZVMVSA-N 1 0 415.537 3.781 40 0 HHABRO c1cnc2c(c1)cccc2C[C@@H]1COCC[N@H+](Cc2ccnc(N3CCCCC3)n2)C1 ZINC000257313996 568808399 /nfs/dbraw/zinc/80/83/99/568808399.db2.gz UUYWLFGBPYAGMF-FQEVSTJZSA-N 1 0 417.557 3.706 40 0 HHABRO C[C@]1(O)C[N@H+](Cc2ccc(N3CCCC3=O)cc2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000257314265 568808635 /nfs/dbraw/zinc/80/86/35/568808635.db2.gz UWCOTLJZLWZLEG-GMAHTHKFSA-N 1 0 414.933 3.871 40 0 HHABRO CC(=O)N1CCN(C(=O)c2ccccc2C[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000257324637 568811873 /nfs/dbraw/zinc/81/18/73/568811873.db2.gz WPOOCXOIZKIJPP-DEOSSOPVSA-N 1 0 405.542 3.718 40 0 HHABRO Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)n1 ZINC000257332414 568813757 /nfs/dbraw/zinc/81/37/57/568813757.db2.gz XXGDQRBMYILOBM-LYVDORBWSA-N 1 0 406.574 3.633 40 0 HHABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)n1 ZINC000019760692 568871174 /nfs/dbraw/zinc/87/11/74/568871174.db2.gz ZYRRSTKLCSQQPL-QFIPXVFZSA-N 1 0 415.541 3.906 40 0 HHABRO Cc1cc(C)cc(C[N@H+]2C[C@@H](c3ccnn3C)[C@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000306125067 568887976 /nfs/dbraw/zinc/88/79/76/568887976.db2.gz CGBLOCVMVAJZQO-WIOPSUGQSA-N 1 0 406.574 3.655 40 0 HHABRO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306126522 568889302 /nfs/dbraw/zinc/88/93/02/568889302.db2.gz DYHOOFSIIXGVKI-OAQYLSRUSA-N 1 0 405.546 3.562 40 0 HHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306131375 568893665 /nfs/dbraw/zinc/89/36/65/568893665.db2.gz KCUFCLVHQPOPAK-RDPSFJRHSA-N 1 0 410.537 3.831 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(C)c4)C[C@H]32)cc1 ZINC000306135518 568897406 /nfs/dbraw/zinc/89/74/06/568897406.db2.gz OTWKLBWLBVLVFO-BJKOFHAPSA-N 1 0 401.510 3.887 40 0 HHABRO CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000306136969 568898833 /nfs/dbraw/zinc/89/88/33/568898833.db2.gz QHWVDXOBTWJOJL-UHFFFAOYSA-N 1 0 409.484 3.660 40 0 HHABRO Cc1cnc(C(=O)N[C@H]2CCCC[C@]23C[N@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139181 568900825 /nfs/dbraw/zinc/90/08/25/568900825.db2.gz SRMVJUOZJKXZBS-NHTRMHBPSA-N 1 0 412.578 3.521 40 0 HHABRO Clc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140399 568902279 /nfs/dbraw/zinc/90/22/79/568902279.db2.gz USGZPIWYKQYZGW-SFHVURJKSA-N 1 0 411.937 3.599 40 0 HHABRO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NCCCO)[nH+]1 ZINC000328992470 568971506 /nfs/dbraw/zinc/97/15/06/568971506.db2.gz IVHISLHDPLTVSE-UHFFFAOYSA-N 1 0 410.440 3.856 40 0 HHABRO CC[NH+](CC)CCCN(C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575423372 569026476 /nfs/dbraw/zinc/02/64/76/569026476.db2.gz ZZITVRNQCLOVMO-HSZRJFAPSA-N 1 0 414.615 3.997 40 0 HHABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(c3ccccc3F)CC1)C2 ZINC000035075032 569027796 /nfs/dbraw/zinc/02/77/96/569027796.db2.gz FCZWGBJWUCDVIA-PDXXHEQOSA-N 1 0 404.570 3.930 40 0 HHABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000006417024 569332114 /nfs/dbraw/zinc/33/21/14/569332114.db2.gz XUHTZZFVWDSUAR-UHFFFAOYSA-N 1 0 410.587 3.863 40 0 HHABRO CSc1nnc([C@@H]2CCCN2C(=O)[C@H](c2ccccc2)[N@@H+]2CCCC[C@@H]2C)n1C ZINC000019496310 569345594 /nfs/dbraw/zinc/34/55/94/569345594.db2.gz HBZOVRZEMGDEEB-WDSOQIARSA-N 1 0 413.591 3.816 40 0 HHABRO CC[C@H](C)C[N@@H+]1CCC[C@@H](C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)C1 ZINC000019499911 569345673 /nfs/dbraw/zinc/34/56/73/569345673.db2.gz ASAWMYHRLAUDGZ-PZJWPPBQSA-N 1 0 400.563 3.715 40 0 HHABRO COc1ccc(-c2nc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)[nH]c2C(N)=O)cc1 ZINC000019698968 569346964 /nfs/dbraw/zinc/34/69/64/569346964.db2.gz XQCIUDWNDZNJJQ-LJQANCHMSA-N 1 0 404.514 3.606 40 0 HHABRO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)C[N@@H+](Cc1cccc3ncccc13)C2 ZINC000019701571 569347319 /nfs/dbraw/zinc/34/73/19/569347319.db2.gz NMZLGZZMBRWVFN-IBGZPJMESA-N 1 0 415.472 3.846 40 0 HHABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857166 569352124 /nfs/dbraw/zinc/35/21/24/569352124.db2.gz ZGWDCUDXENNKEL-ROUUACIJSA-N 1 0 414.571 3.813 40 0 HHABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252514471 569387934 /nfs/dbraw/zinc/38/79/34/569387934.db2.gz COKOVRNILPZULJ-GUDVDZBRSA-N 1 0 414.354 3.915 40 0 HHABRO Cn1nc(-c2ccco2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 ZINC000008636256 1072486690 /nfs/dbraw/zinc/48/66/90/1072486690.db2.gz OTPHLWFMKFMCKD-UHOSZYNNSA-N 1 0 421.570 3.845 40 0 biogenic,in-vitro HHABRO CC1=C[C@@H](C[N@@H+]2CCC[C@H]2CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442655 291248708 /nfs/dbraw/zinc/24/87/08/291248708.db2.gz SXGRCAWNAYOVNS-CMOCDZPBSA-N 1 0 410.562 3.985 40 0 biogenic,in-vitro HHABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NC2CCCCC2)no1)c1ccccc1 ZINC000012482618 291250473 /nfs/dbraw/zinc/25/04/73/291250473.db2.gz OVTGYPATEDXVAX-PMACEKPBSA-N 1 0 424.589 3.918 40 0 biogenic,in-vitro HHABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000040373334 519838160 /nfs/dbraw/zinc/83/81/60/519838160.db2.gz ALGAETSKIXJWHU-HSZRJFAPSA-N 1 0 416.537 3.528 40 0 HHABRO COc1cc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc(OC)c1OC ZINC000044917672 522434019 /nfs/dbraw/zinc/43/40/19/522434019.db2.gz ZNABGLSCLYVOHV-QGZVFWFLSA-N 1 0 412.530 3.874 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329008117 524055401 /nfs/dbraw/zinc/05/54/01/524055401.db2.gz LPOIMMVSIQRJCP-UHFFFAOYSA-N 1 0 416.451 3.508 40 0 HHABRO C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43CC[NH3+])OCCO5)[C@@H]1CCC21OCCO1 ZINC000004215756 557529407 /nfs/dbraw/zinc/52/94/07/557529407.db2.gz HWXXPLRSBHPGSF-KNOXWWKRSA-N 1 0 403.563 3.764 40 0 in-man HHABRO C[NH2+]CCCNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008376942 557784482 /nfs/dbraw/zinc/78/44/82/557784482.db2.gz WCUNODWARQJKRV-UHFFFAOYSA-N 1 0 411.315 3.875 40 0 HHABRO CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)C[NH+]3CCCC3)cc(C(F)(F)F)c12 ZINC000019742360 558262737 /nfs/dbraw/zinc/26/27/37/558262737.db2.gz KLHCQUKOTBGNKF-HNNXBMFYSA-N 1 0 424.471 3.556 40 0 HHABRO COc1ccc2c(c1)N[C@]1(COC3(C1)CC[NH+](Cc1cccnc1)CC3)c1cccn1-2 ZINC000012086185 558321650 /nfs/dbraw/zinc/32/16/50/558321650.db2.gz NEICZSMYELBTSD-RUZDIDTESA-N 1 0 416.525 3.957 40 0 HHABRO COc1ccc2[nH]c(C[N@@H+]3CCc4nc(-c5ccccn5)[nH]c(=O)c4C3)c(C)c2c1 ZINC000012122455 558330761 /nfs/dbraw/zinc/33/07/61/558330761.db2.gz AZBXNGSSAVMZNP-UHFFFAOYSA-N 1 0 401.470 3.601 40 0 HHABRO COCCOc1cc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)ccc1OC ZINC000012122182 558330771 /nfs/dbraw/zinc/33/07/71/558330771.db2.gz XFRYMHYLDYHCFI-UHFFFAOYSA-N 1 0 413.514 3.664 40 0 HHABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccccc2F)C3)c(OCC)n1 ZINC000012181045 558342696 /nfs/dbraw/zinc/34/26/96/558342696.db2.gz OMENZMXUVDRPHF-NHJWOMDBSA-N 1 0 415.509 3.533 40 0 HHABRO C[NH+](C)CCCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccccc1F)C2 ZINC000012233214 558358292 /nfs/dbraw/zinc/35/82/92/558358292.db2.gz IMOIMPJUIKMYGV-UHFFFAOYSA-N 1 0 420.536 3.600 40 0 HHABRO Nc1nc(-c2cccs2)c(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000012238242 558359211 /nfs/dbraw/zinc/35/92/11/558359211.db2.gz BNHHYXUKWWYNND-HNNXBMFYSA-N 1 0 404.605 3.863 40 0 HHABRO COCCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC ZINC000012293197 558366239 /nfs/dbraw/zinc/36/62/39/558366239.db2.gz DBLRQEXYIDMYQY-QRQCMCJISA-N 1 0 415.505 3.874 40 0 HHABRO COc1nc(-c2ccccc2)nc(C)c1CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000012363349 558387506 /nfs/dbraw/zinc/38/75/06/558387506.db2.gz NNSQDZZBXDMRGS-UHFFFAOYSA-N 1 0 410.562 3.726 40 0 HHABRO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000012365814 558387903 /nfs/dbraw/zinc/38/79/03/558387903.db2.gz HGXGWBLBQOCZFZ-UZLBHIALSA-N 1 0 403.548 3.640 40 0 HHABRO Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(C(C)C)cc3)n2)s1 ZINC000013634046 558553007 /nfs/dbraw/zinc/55/30/07/558553007.db2.gz MCMMDSXXNRYIAP-UHFFFAOYSA-N 1 0 415.548 3.804 40 0 HHABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125159 558844367 /nfs/dbraw/zinc/84/43/67/558844367.db2.gz UFTZCYGIYZTSLM-SFTDATJTSA-N 1 0 403.469 3.966 40 0 HHABRO Cc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1C ZINC000019213998 558849463 /nfs/dbraw/zinc/84/94/63/558849463.db2.gz PAWRPWPAPUISDI-HSZRJFAPSA-N 1 0 408.521 3.580 40 0 HHABRO Cc1ccc([C@H](C)CC[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1 ZINC000019216301 558850317 /nfs/dbraw/zinc/85/03/17/558850317.db2.gz OIJCEHIRLKTVNK-JPYJTQIMSA-N 1 0 408.546 3.719 40 0 HHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000019235044 558854126 /nfs/dbraw/zinc/85/41/26/558854126.db2.gz CWCQCFWGISCEPV-SANMLTNESA-N 1 0 415.537 3.617 40 0 HHABRO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000019235046 558854152 /nfs/dbraw/zinc/85/41/52/558854152.db2.gz QCCTZVFHOQVKCB-SANMLTNESA-N 1 0 415.537 3.617 40 0 HHABRO CC(=O)Nc1ccc(C[NH2+][C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1 ZINC000019285341 558859734 /nfs/dbraw/zinc/85/97/34/558859734.db2.gz CMKRONCNXHENKS-OAQYLSRUSA-N 1 0 410.905 3.764 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000019400649 558883427 /nfs/dbraw/zinc/88/34/27/558883427.db2.gz DAAOFDQYLIZYNN-WMZHIEFXSA-N 1 0 404.489 3.999 40 0 HHABRO CC(C)c1nc2ccccc2n1C[C@H](C)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000019453875 558891246 /nfs/dbraw/zinc/89/12/46/558891246.db2.gz RFAHZRFTJRQJRH-IBGZPJMESA-N 1 0 419.573 3.972 40 0 HHABRO C[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)CCc2nc(-c3ccccc3Cl)no2)C1 ZINC000019496530 558895533 /nfs/dbraw/zinc/89/55/33/558895533.db2.gz IXPMSVUHBBRVMQ-OAHLLOKOSA-N 1 0 404.942 3.949 40 0 HHABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc4cc(OC)ccc4n3)C2)no1 ZINC000019503697 558900756 /nfs/dbraw/zinc/90/07/56/558900756.db2.gz NYORPSPDYAFIJV-KRWDZBQOSA-N 1 0 408.502 3.751 40 0 HHABRO CCN1CC[N@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527453 558908702 /nfs/dbraw/zinc/90/87/02/558908702.db2.gz GETWEKBQRAGOMT-DEOSSOPVSA-N 1 0 400.526 3.667 40 0 HHABRO COc1ccc2[nH]c(C[NH+]3CCC(O)(Cn4cnc5ccccc54)CC3)c(C)c2c1 ZINC000019565449 558925415 /nfs/dbraw/zinc/92/54/15/558925415.db2.gz KBDPRPMQWOHCID-UHFFFAOYSA-N 1 0 404.514 3.862 40 0 HHABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019568946 558928076 /nfs/dbraw/zinc/92/80/76/558928076.db2.gz KMKKTGZJLXUWPQ-AWEZNQCLSA-N 1 0 420.439 3.786 40 0 HHABRO COc1ccccc1C[NH2+][C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 ZINC000019570838 558929531 /nfs/dbraw/zinc/92/95/31/558929531.db2.gz WMIAJKFPHHEPMN-QFIPXVFZSA-N 1 0 412.493 3.914 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000072330602 558935081 /nfs/dbraw/zinc/93/50/81/558935081.db2.gz DWHQBTCVRJYDIW-WTNAPCKOSA-N 1 0 415.484 3.608 40 0 HHABRO CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccn2)C1 ZINC000019580455 558936022 /nfs/dbraw/zinc/93/60/22/558936022.db2.gz ZUZBIIKNSPISHP-VWLOTQADSA-N 1 0 400.526 3.667 40 0 HHABRO CN(C)c1ncccc1C[NH+]1CCC(c2n[nH]cc2C(=O)N(C)C2CCCCC2)CC1 ZINC000019584104 558938290 /nfs/dbraw/zinc/93/82/90/558938290.db2.gz QSAZPAGEPKMRBU-UHFFFAOYSA-N 1 0 424.593 3.655 40 0 HHABRO COc1ccc(OC)c(C(=O)N(C)C2CCC3(CC2)C[N@H+](C)Cc2ccccc2O3)c1 ZINC000019590860 558940874 /nfs/dbraw/zinc/94/08/74/558940874.db2.gz YSYJWQRVEMRDGC-UHFFFAOYSA-N 1 0 424.541 3.982 40 0 HHABRO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019591700 558942383 /nfs/dbraw/zinc/94/23/83/558942383.db2.gz XPLBDYSPNUOJMK-AREMUKBSSA-N 1 0 415.537 3.938 40 0 HHABRO COCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 ZINC000019593715 558944749 /nfs/dbraw/zinc/94/47/49/558944749.db2.gz CUSHBVMKFQNDLK-QFIPXVFZSA-N 1 0 420.513 3.584 40 0 HHABRO C[NH+](C)[C@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)c1cccc(Cl)c1 ZINC000019654997 558948408 /nfs/dbraw/zinc/94/84/08/558948408.db2.gz WUZPYOUNDZNMAG-HXUWFJFHSA-N 1 0 404.913 3.946 40 0 HHABRO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cccc(F)c1 ZINC000019662059 558953104 /nfs/dbraw/zinc/95/31/04/558953104.db2.gz OYMXYBYDECJXMZ-HXUWFJFHSA-N 1 0 404.913 3.946 40 0 HHABRO O=C(C[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCC1 ZINC000072359396 558954976 /nfs/dbraw/zinc/95/49/76/558954976.db2.gz DXCGORAUJXHYES-KRWDZBQOSA-N 1 0 418.463 3.964 40 0 HHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000019690430 558959806 /nfs/dbraw/zinc/95/98/06/558959806.db2.gz UUHLLZXUBNMONU-QFIPXVFZSA-N 1 0 415.541 3.688 40 0 HHABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2CC(=O)Nc2ccccc2F)[nH+]1 ZINC000072372501 558959958 /nfs/dbraw/zinc/95/99/58/558959958.db2.gz ZBMUONQNLFJGCR-HXUWFJFHSA-N 1 0 406.465 3.838 40 0 HHABRO Cc1c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019694083 558962369 /nfs/dbraw/zinc/96/23/69/558962369.db2.gz UHAMWWCZQGUENH-GOSISDBHSA-N 1 0 408.525 3.770 40 0 HHABRO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@H+](C)CCc2ccccn2)C1 ZINC000072389823 558970209 /nfs/dbraw/zinc/97/02/09/558970209.db2.gz MKJCXKUZHXLBPW-SFHVURJKSA-N 1 0 405.546 3.748 40 0 HHABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cccc(Cl)c4Cl)C[C@H]32)c(OC)n1 ZINC000072392599 558972418 /nfs/dbraw/zinc/97/24/18/558972418.db2.gz XETROFOTTAYKHQ-PGICJIBASA-N 1 0 424.328 3.530 40 0 HHABRO C[NH+]1CCC(N(Cc2cnc(N3CCOCC3)s2)Cc2ccccc2Cl)CC1 ZINC000019715698 558977131 /nfs/dbraw/zinc/97/71/31/558977131.db2.gz ORNTWHHTUYAGMR-UHFFFAOYSA-N 1 0 421.010 3.730 40 0 HHABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100228 559023775 /nfs/dbraw/zinc/02/37/75/559023775.db2.gz IJNUYKXJMPSAMA-RUZDIDTESA-N 1 0 411.590 3.780 40 0 HHABRO CN(C)c1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3C[C@@H]3CCCO3)C2)c2ccccc21 ZINC000585101948 559025151 /nfs/dbraw/zinc/02/51/51/559025151.db2.gz NBHQEGVWMSRCNP-UQBPGWFLSA-N 1 0 407.558 3.765 40 0 HHABRO CC(C)n1cc(C[N@@H+]2CCC[C@]3(C[C@@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102403 559026156 /nfs/dbraw/zinc/02/61/56/559026156.db2.gz HFWWMCABYRSAPF-GGAORHGYSA-N 1 0 412.534 3.514 40 0 HHABRO O=C(NC1CC2(C1)CC[NH+](Cc1ccc(OCC(F)F)cc1)CC2)OCCF ZINC000585102753 559026319 /nfs/dbraw/zinc/02/63/19/559026319.db2.gz DBRFVCLWHOVVEJ-UHFFFAOYSA-N 1 0 400.441 3.771 40 0 HHABRO O=C(c1cccc(F)c1)N1CCC2(C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000585113485 559031398 /nfs/dbraw/zinc/03/13/98/559031398.db2.gz PWLNZIVGQVVMQX-VWLOTQADSA-N 1 0 408.517 3.971 40 0 HHABRO CCOc1ccc(C(=O)N2CCc3ncc(-c4cccc5c4C[N@H+](C)C5)n3CC2)cc1 ZINC000585111269 559031850 /nfs/dbraw/zinc/03/18/50/559031850.db2.gz MDDSOHNVVHCSGW-UHFFFAOYSA-N 1 0 416.525 3.593 40 0 HHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053105 559092936 /nfs/dbraw/zinc/09/29/36/559092936.db2.gz PHBYMVYBLJPGBP-OAQYLSRUSA-N 1 0 405.542 3.899 40 0 HHABRO C[NH+](C)C1CCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn43)n2)CC1 ZINC000096155324 559099527 /nfs/dbraw/zinc/09/95/27/559099527.db2.gz DQRZALAKTWRSTK-UHFFFAOYSA-N 1 0 413.525 3.958 40 0 HHABRO CCc1cccc(NC(=O)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096239948 559103498 /nfs/dbraw/zinc/10/34/98/559103498.db2.gz KLMFCLOMWGALSP-UHFFFAOYSA-N 1 0 408.546 3.791 40 0 HHABRO CCc1ccc(NC(=O)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC000096239949 559103557 /nfs/dbraw/zinc/10/35/57/559103557.db2.gz NKNKVZBKAVZGPI-UHFFFAOYSA-N 1 0 408.546 3.791 40 0 HHABRO CCc1cccc(NC(=O)N2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC000096239899 559103568 /nfs/dbraw/zinc/10/35/68/559103568.db2.gz XJWJGIDHTASAED-UHFFFAOYSA-N 1 0 408.546 3.791 40 0 HHABRO Cc1cc(C(=O)N2Cc3ccccc3C3(CC[NH+](Cc4cccc(C)n4)CC3)C2)no1 ZINC000096242611 559104212 /nfs/dbraw/zinc/10/42/12/559104212.db2.gz YKOGUGCSTYBMRU-UHFFFAOYSA-N 1 0 416.525 3.876 40 0 HHABRO C[NH2+]CC(=O)N1CCC(c2cc(Nc3ncc(-c4ccccc4)s3)nc(C)n2)CC1 ZINC000585263159 559111877 /nfs/dbraw/zinc/11/18/77/559111877.db2.gz PGIBJKBIOYUUBV-UHFFFAOYSA-N 1 0 422.558 3.578 40 0 HHABRO CCCC[C@@H]([NH3+])C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263322 559111994 /nfs/dbraw/zinc/11/19/94/559111994.db2.gz BXFSCVHZGHJOHT-MRXNPFEDSA-N 1 0 402.568 3.517 40 0 HHABRO CO[C@H]1C[N@H+](Cc2ccc(OCCn3ccnc3C)cc2)C[C@@H]1Oc1cccc(C)c1 ZINC000585268751 559113672 /nfs/dbraw/zinc/11/36/72/559113672.db2.gz CCXNWVBFZWCLPH-DQEYMECFSA-N 1 0 421.541 3.857 40 0 HHABRO O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2ccc(OCCCn3cccn3)cc2)C1 ZINC000585273698 559118312 /nfs/dbraw/zinc/11/83/12/559118312.db2.gz QKGYBCGCLYKRQT-VWLOTQADSA-N 1 0 421.541 3.758 40 0 HHABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000585289014 559122381 /nfs/dbraw/zinc/12/23/81/559122381.db2.gz CWBHTWBHUGBQQP-YTFSRNRJSA-N 1 0 418.940 3.958 40 0 HHABRO Cc1cc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Br ZINC000111892595 559178195 /nfs/dbraw/zinc/17/81/95/559178195.db2.gz JIGNNHMOLXJMRC-UHFFFAOYSA-N 1 0 418.335 3.527 40 0 HHABRO COc1ccccc1-c1cccc(CC2(C(=O)N[C@@H]3CCC[N@H+](C)C3)CCOCC2)c1 ZINC000257235467 559284135 /nfs/dbraw/zinc/28/41/35/559284135.db2.gz GXZJPQSYUKUDAT-JOCHJYFZSA-N 1 0 422.569 3.912 40 0 HHABRO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257283052 559285334 /nfs/dbraw/zinc/28/53/34/559285334.db2.gz OWOVCPGJLULNDQ-VWLOTQADSA-N 1 0 419.500 3.819 40 0 HHABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3ccccc3)CC2)no1 ZINC000015673371 560230599 /nfs/dbraw/zinc/23/05/99/560230599.db2.gz KZKWCWIJZHZMTC-SFTDATJTSA-N 1 0 424.589 3.524 40 0 biogenic,in-vitro HHABRO CCNC(=S)N(CCC[NH+](CC)CC)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004162026 560602169 /nfs/dbraw/zinc/60/21/69/560602169.db2.gz XSTMBRYIDMDWAW-UHFFFAOYSA-N 1 0 402.608 3.573 40 0 HHABRO COc1ccc(NC(=O)COc2ccc(/C=C/c3cc[n+](C)cc3)cc2OC)cc1 ZINC000005002287 560620378 /nfs/dbraw/zinc/62/03/78/560620378.db2.gz XUGDNULORZUNMN-SNAWJCMRSA-O 1 0 405.474 3.716 40 0 HHABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409060997 560672634 /nfs/dbraw/zinc/67/26/34/560672634.db2.gz BGURUKGTRUOSGN-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000006629871 560744528 /nfs/dbraw/zinc/74/45/28/560744528.db2.gz SVNGOWMNUMDDJC-UHFFFAOYSA-N 1 0 401.532 3.672 40 0 HHABRO c1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929083 568501283 /nfs/dbraw/zinc/50/12/83/568501283.db2.gz LCMIHKBQIHOPMQ-DEOSSOPVSA-N 1 0 416.573 3.761 40 0 HHABRO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cccc(Cl)c1Cl ZINC000025224540 568517501 /nfs/dbraw/zinc/51/75/01/568517501.db2.gz QITJGRQBALNHMF-MRXNPFEDSA-N 1 0 402.281 3.939 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000223234937 568542002 /nfs/dbraw/zinc/54/20/02/568542002.db2.gz OEQGFLKPXZQNNH-VXKWHMMOSA-N 1 0 405.571 3.797 40 0 HHABRO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000224755930 568595560 /nfs/dbraw/zinc/59/55/60/568595560.db2.gz FEXBEIZMLDAHGL-PYCFMQQDSA-N 1 0 409.530 3.741 40 0 HHABRO COc1ccc(Cl)cc1NC(=S)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225211054 568623472 /nfs/dbraw/zinc/62/34/72/568623472.db2.gz XQZCOJZJCGKKLG-UHFFFAOYSA-N 1 0 401.963 3.830 40 0 HHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000225731379 568668713 /nfs/dbraw/zinc/66/87/13/568668713.db2.gz CWPFMKHOJGCRDU-KDURUIRLSA-N 1 0 416.635 3.967 40 0 HHABRO COc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000225772221 568673315 /nfs/dbraw/zinc/67/33/15/568673315.db2.gz IMPPSVPYMONNDQ-UHFFFAOYSA-N 1 0 415.559 3.663 40 0 HHABRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000260845562 568742053 /nfs/dbraw/zinc/74/20/53/568742053.db2.gz TYBAQKQSSABVHX-WMZOPIPTSA-N 1 0 400.494 3.932 40 0 HHABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)COc4cccnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257229912 568784851 /nfs/dbraw/zinc/78/48/51/568784851.db2.gz FZYWVPDUHZQVKT-TYUWDEHNSA-N 1 0 419.569 3.936 40 0 HHABRO Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)[nH+]1 ZINC000257237392 568786883 /nfs/dbraw/zinc/78/68/83/568786883.db2.gz HGGOQXXOUUFUFK-AWEZNQCLSA-N 1 0 408.531 3.822 40 0 HHABRO FC(F)(F)c1cccnc1Nc1nccc(C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000257247132 568789461 /nfs/dbraw/zinc/78/94/61/568789461.db2.gz IXQVKDURWNNPSI-UHFFFAOYSA-N 1 0 407.440 3.992 40 0 HHABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)cn1 ZINC000257251652 568790739 /nfs/dbraw/zinc/79/07/39/568790739.db2.gz JRPHEKOPDFRTIP-GOSISDBHSA-N 1 0 424.574 3.949 40 0 HHABRO CN(C)C(=O)[C@@]1(c2ccccn2)CCCN1Cc1cccc(OCc2ccccn2)c1 ZINC000257254444 568791456 /nfs/dbraw/zinc/79/14/56/568791456.db2.gz KDCGAAVWUGXBEL-VWLOTQADSA-N 1 0 416.525 3.635 40 0 HHABRO CCc1nccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257269543 568795503 /nfs/dbraw/zinc/79/55/03/568795503.db2.gz MQKQAKOXFDZKCK-FMLGWJCWSA-N 1 0 420.601 3.921 40 0 HHABRO Cc1cccn2cc(C(=O)N3[C@@H]4CCC[C@@H]5[NH2+][C@@H](C[C@@]54C)[C@@H]3Cc3ccccc3)nc12 ZINC000257271661 568795952 /nfs/dbraw/zinc/79/59/52/568795952.db2.gz MZGDKAJRUCYALN-UAGMDNNXSA-N 1 0 414.553 3.999 40 0 HHABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4cccc(OCCO)c4)[C@@H]3C[C@H]21 ZINC000257279533 568798364 /nfs/dbraw/zinc/79/83/64/568798364.db2.gz OHCGZUVXROFDOK-KOVSNXQUSA-N 1 0 409.526 3.949 40 0 HHABRO COc1ccccc1Cc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)ccn1 ZINC000257283311 568799643 /nfs/dbraw/zinc/79/96/43/568799643.db2.gz OXTGUOJDIHARLJ-ITAIVJFTSA-N 1 0 405.542 3.816 40 0 HHABRO C[C@@H](CCC(=O)N1CCC(c2cncc(Nc3ccccn3)n2)CC1)[NH+]1CCCC1 ZINC000257296057 568803439 /nfs/dbraw/zinc/80/34/39/568803439.db2.gz RBAZPEMROLQCSP-SFHVURJKSA-N 1 0 408.550 3.586 40 0 HHABRO C[NH+]1CCC(CNC(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)CC1 ZINC000257336181 568815083 /nfs/dbraw/zinc/81/50/83/568815083.db2.gz YNMGFFRPHKDWHO-UHFFFAOYSA-N 1 0 407.558 3.546 40 0 HHABRO Cc1nc(CN2CC[C@@]3(C[N@H+](C4CCC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306123803 568886720 /nfs/dbraw/zinc/88/67/20/568886720.db2.gz AXHTXKOQMZEGPT-KNQAVFIVSA-N 1 0 413.591 3.600 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(C)s4)C[C@@H]32)cc1 ZINC000306130896 568893370 /nfs/dbraw/zinc/89/33/70/568893370.db2.gz JSFIJIDXVJLRLT-VXKWHMMOSA-N 1 0 407.539 3.948 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)cc1 ZINC000306135298 568897128 /nfs/dbraw/zinc/89/71/28/568897128.db2.gz OMUQLEYOJJWADV-HSZRJFAPSA-N 1 0 405.523 3.956 40 0 HHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144081 568905479 /nfs/dbraw/zinc/90/54/79/568905479.db2.gz YVQJQAJXLGKXFQ-ZJSXRUAMSA-N 1 0 410.537 3.831 40 0 HHABRO C[NH+](C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329006342 568972136 /nfs/dbraw/zinc/97/21/36/568972136.db2.gz LDJMSJRIPIIXAC-UHFFFAOYSA-N 1 0 417.435 3.603 40 0 HHABRO CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329004808 568972236 /nfs/dbraw/zinc/97/22/36/568972236.db2.gz KTZCETLHEQFUOG-UHFFFAOYSA-N 1 0 418.383 3.899 40 0 HHABRO Cc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329005246 568972241 /nfs/dbraw/zinc/97/22/41/568972241.db2.gz KXGLRVDZSQGHII-QGZVFWFLSA-N 1 0 410.440 3.675 40 0 HHABRO OCCCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329022098 568973029 /nfs/dbraw/zinc/97/30/29/568973029.db2.gz OKAXAHMXHUUUSN-UHFFFAOYSA-N 1 0 408.424 3.610 40 0 HHABRO CCN(CCCNC(=O)c1cccc(I)c1)c1ccccc1 ZINC000224967977 569284618 /nfs/dbraw/zinc/28/46/18/569284618.db2.gz QTAMSXPWJHUECK-UHFFFAOYSA-N 1 0 408.283 3.938 40 0 HHABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000248156382 569316618 /nfs/dbraw/zinc/31/66/18/569316618.db2.gz VVOUDYGERREZBV-UYAOXDASSA-N 1 0 418.541 3.556 40 0 HHABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019701981 569347368 /nfs/dbraw/zinc/34/73/68/569347368.db2.gz UDINNFVWQNPDBC-INIZCTEOSA-N 1 0 413.518 3.801 40 0 HHABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000019695998 569428591 /nfs/dbraw/zinc/42/85/91/569428591.db2.gz NWTOHWSGRNQTCM-XMMPIXPASA-N 1 0 423.488 3.540 40 0 HHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccn2)n1 ZINC000328990362 571304737 /nfs/dbraw/zinc/30/47/37/571304737.db2.gz IOHOOMKAULBYLH-UHFFFAOYSA-N 1 0 402.424 4.275 40 0 HHABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4COC(=O)NC(C)C)nc(C)n2)cc1 ZINC000008635831 291254138 /nfs/dbraw/zinc/25/41/38/291254138.db2.gz ORVASVAZJDTUPL-ZVDOUQERSA-N 1 0 424.545 3.773 40 0 biogenic,in-vitro HHABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000040373336 519838155 /nfs/dbraw/zinc/83/81/55/519838155.db2.gz ALGAETSKIXJWHU-QHCPKHFHSA-N 1 0 416.537 3.528 40 0 HHABRO COc1cc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc(OC)c1OC ZINC000044917667 522434162 /nfs/dbraw/zinc/43/41/62/522434162.db2.gz JOEACAMNOXIPDW-UHFFFAOYSA-N 1 0 412.530 3.874 40 0 HHABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857015 522530795 /nfs/dbraw/zinc/53/07/95/522530795.db2.gz BTXLTPVAEQWEIK-QFIPXVFZSA-N 1 0 414.571 3.957 40 0 HHABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857165 525211711 /nfs/dbraw/zinc/21/17/11/525211711.db2.gz ZGWDCUDXENNKEL-MSOLQXFVSA-N 1 0 414.571 3.813 40 0 HHABRO CC[NH+](CC)C[C@H](O)CNc1ncnc(N)c1C(=C(C)C)c1ccc(Cl)cc1 ZINC000001555750 557272266 /nfs/dbraw/zinc/27/22/66/557272266.db2.gz OZCYQQPQEXYTSQ-QGZVFWFLSA-N 1 0 403.958 3.669 40 0 HHABRO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccc(F)cc1Cl ZINC000008471720 557792311 /nfs/dbraw/zinc/79/23/11/557792311.db2.gz CTFSCAHRXSIKQM-UHFFFAOYSA-N 1 0 422.928 3.879 40 0 HHABRO CCC[N@@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 ZINC000019741243 558261824 /nfs/dbraw/zinc/26/18/24/558261824.db2.gz JSJMTGSQJPGDHB-LJQANCHMSA-N 1 0 408.546 3.862 40 0 HHABRO CC(=O)N1CCC([NH+]2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000019744898 558265513 /nfs/dbraw/zinc/26/55/13/558265513.db2.gz HVEXTZDNFBCNIW-XMMPIXPASA-N 1 0 411.590 3.538 40 0 HHABRO Cc1nc([C@H]2CC[N@@H+](C3CCOCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753170 558272248 /nfs/dbraw/zinc/27/22/48/558272248.db2.gz ZLNNJQQCWMSVBA-HNNXBMFYSA-N 1 0 400.910 3.659 40 0 HHABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752950 558272265 /nfs/dbraw/zinc/27/22/65/558272265.db2.gz PMEXHYAPJQXGLY-OAQYLSRUSA-N 1 0 414.557 3.907 40 0 HHABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752968 558272316 /nfs/dbraw/zinc/27/23/16/558272316.db2.gz ZDMSGLDFWLLECL-FQEVSTJZSA-N 1 0 414.557 3.907 40 0 HHABRO Cc1ncc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)NCc3ccccc3)CC2)s1 ZINC000019756357 558274387 /nfs/dbraw/zinc/27/43/87/558274387.db2.gz LGUMSRXBACGEHP-UHFFFAOYSA-N 1 0 423.586 3.570 40 0 HHABRO C[NH+](C)CC1CCC2(CC1)CN(C(=O)CCCn1ccnc1)Cc1ccccc1O2 ZINC000012127651 558331542 /nfs/dbraw/zinc/33/15/42/558331542.db2.gz KAXXKOXQESFOSR-UHFFFAOYSA-N 1 0 410.562 3.575 40 0 HHABRO C[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)[C@@H]1C ZINC000012182850 558343587 /nfs/dbraw/zinc/34/35/87/558343587.db2.gz LHZUQDZNUSSQCI-VVWQDTPRSA-N 1 0 402.539 3.507 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c(OC)c1 ZINC000012234347 558358516 /nfs/dbraw/zinc/35/85/16/558358516.db2.gz YYEHPYUUTVFPOE-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO COc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1cc(C)ccc1O2 ZINC000012293241 558366234 /nfs/dbraw/zinc/36/62/34/558366234.db2.gz XDGAUBKGOQPUIK-GOTSBHOMSA-N 1 0 422.525 3.869 40 0 HHABRO Cn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)c2ccccc21 ZINC000012329142 558383654 /nfs/dbraw/zinc/38/36/54/558383654.db2.gz QOLZAFMGBZCIHW-YADHBBJMSA-N 1 0 410.489 3.702 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3c[nH]c4cc(C)ccc43)CC1)C[C@@H]2O ZINC000012329699 558384635 /nfs/dbraw/zinc/38/46/35/558384635.db2.gz NBQFGPXMSLARDR-XZOQPEGZSA-N 1 0 422.525 3.869 40 0 HHABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c1 ZINC000012330053 558384873 /nfs/dbraw/zinc/38/48/73/558384873.db2.gz DYLPIXXLTYEVHB-UXHICEINSA-N 1 0 403.906 3.733 40 0 HHABRO Clc1ccc(-c2nc3ccc(Br)cn3c2CN2CC[NH2+]CC2)cc1 ZINC000022464837 558491136 /nfs/dbraw/zinc/49/11/36/558491136.db2.gz AUGRANXZHMKCKB-UHFFFAOYSA-N 1 0 405.727 3.822 40 0 HHABRO COCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039756073 558687746 /nfs/dbraw/zinc/68/77/46/558687746.db2.gz LSMMPDANAKWCTR-UHFFFAOYSA-N 1 0 423.557 3.612 40 0 HHABRO O=C(CSc1nc2ccccc2nc1-c1ccccc1)NCC[NH+]1CCCCC1 ZINC000016492067 558794791 /nfs/dbraw/zinc/79/47/91/558794791.db2.gz BFIVETOZQPYKNP-UHFFFAOYSA-N 1 0 406.555 3.991 40 0 HHABRO CC(=O)Nc1ccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@]23CCCC(=O)N3)cc1 ZINC000019022627 558838043 /nfs/dbraw/zinc/83/80/43/558838043.db2.gz RFGLBYRUKWXMAR-WMZHIEFXSA-N 1 0 413.468 3.562 40 0 HHABRO Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)on1 ZINC000019122218 558843569 /nfs/dbraw/zinc/84/35/69/558843569.db2.gz XBJVCRVYOSMYPP-GOSISDBHSA-N 1 0 404.518 3.815 40 0 HHABRO Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)C[N@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000019123874 558844181 /nfs/dbraw/zinc/84/41/81/558844181.db2.gz SYYSUKNHAGFQOR-KRWDZBQOSA-N 1 0 419.529 3.906 40 0 HHABRO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C23CCCCC3)c(=O)n1C ZINC000019131553 558845539 /nfs/dbraw/zinc/84/55/39/558845539.db2.gz VMZYEXNXNJASOJ-GMAHTHKFSA-N 1 0 419.569 3.601 40 0 HHABRO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)o1 ZINC000019216294 558850279 /nfs/dbraw/zinc/85/02/79/558850279.db2.gz OIJCEHIRLKTVNK-FDDCHVKYSA-N 1 0 408.546 3.719 40 0 HHABRO COc1ccc(OC)c(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285532 558859842 /nfs/dbraw/zinc/85/98/42/558859842.db2.gz VQWFZRJZHYUFRY-VQTJNVASSA-N 1 0 423.488 3.618 40 0 HHABRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285501 558859884 /nfs/dbraw/zinc/85/98/84/558859884.db2.gz NZVIAALPZIALGV-RBUKOAKNSA-N 1 0 411.452 3.748 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000019290174 558862744 /nfs/dbraw/zinc/86/27/44/558862744.db2.gz WOWMNDKWOMSTID-IBGZPJMESA-N 1 0 420.536 3.996 40 0 HHABRO COc1ccc2c(c1)N[C@@]1(COC3(C1)CC[NH+](Cc1cccn1C)CC3)c1cccn1-2 ZINC000019291127 558863399 /nfs/dbraw/zinc/86/33/99/558863399.db2.gz XQDIGEGRBXJKTA-VWLOTQADSA-N 1 0 418.541 3.900 40 0 HHABRO COc1ccc2c(c1)N[C@]1(COC3(C1)CC[NH+](Cc1cccn1C)CC3)c1cccn1-2 ZINC000019291129 558863469 /nfs/dbraw/zinc/86/34/69/558863469.db2.gz XQDIGEGRBXJKTA-RUZDIDTESA-N 1 0 418.541 3.900 40 0 HHABRO Fc1ccccc1-n1cccc1C[N@H+](CCCN1CCOCC1)Cc1cccnc1 ZINC000019368468 558877515 /nfs/dbraw/zinc/87/75/15/558877515.db2.gz QJMTYJUJIVFGOK-UHFFFAOYSA-N 1 0 408.521 3.736 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000019400647 558883314 /nfs/dbraw/zinc/88/33/14/558883314.db2.gz DAAOFDQYLIZYNN-AUSIDOKSSA-N 1 0 404.489 3.999 40 0 HHABRO C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000019497340 558896182 /nfs/dbraw/zinc/89/61/82/558896182.db2.gz HMMNKOULHLHRHL-HZPDHXFCSA-N 1 0 416.953 3.692 40 0 HHABRO CCn1cc([C@@H](O)C[NH+]2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 ZINC000019524755 558906095 /nfs/dbraw/zinc/90/60/95/558906095.db2.gz LCQWZTHGHLLXDL-DEOSSOPVSA-N 1 0 418.541 3.571 40 0 HHABRO C=Cn1cc(C[NH+]2CCC(c3cc4nc(N(CC)CC)ncc4c(=O)[nH]3)CC2)c(C)n1 ZINC000019526559 558907891 /nfs/dbraw/zinc/90/78/91/558907891.db2.gz QWSXDUNPBQXDJE-UHFFFAOYSA-N 1 0 421.549 3.562 40 0 HHABRO CCN1CC[N@H+](Cc2ccccn2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527400 558908519 /nfs/dbraw/zinc/90/85/19/558908519.db2.gz VRIVPEXPINBKHM-HSZRJFAPSA-N 1 0 400.526 3.667 40 0 HHABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532005 558912106 /nfs/dbraw/zinc/91/21/06/558912106.db2.gz CGZLSGUBCUINND-LJQANCHMSA-N 1 0 420.513 3.619 40 0 HHABRO Cc1c(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cnn1Cc1ccccc1 ZINC000019554544 558917526 /nfs/dbraw/zinc/91/75/26/558917526.db2.gz IWIRBVAMZGUVLE-GGAORHGYSA-N 1 0 410.468 3.628 40 0 HHABRO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4ccccc4)C3)no2)c1 ZINC000019565619 558925537 /nfs/dbraw/zinc/92/55/37/558925537.db2.gz BSAWCETZVIQJCR-FQEVSTJZSA-N 1 0 405.498 3.993 40 0 HHABRO COCCC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2[nH]c3ccccc3c2C)CC1 ZINC000019565889 558925866 /nfs/dbraw/zinc/92/58/66/558925866.db2.gz FYVSBSVGTKZJLM-RUZDIDTESA-N 1 0 420.557 3.977 40 0 HHABRO COc1cccc2ccc(C[N@@H+]3CCC[C@H](c4cc(C(=O)N5CCCC5)on4)C3)nc21 ZINC000019568441 558927518 /nfs/dbraw/zinc/92/75/18/558927518.db2.gz BXNYRZSDIXHIRZ-SFHVURJKSA-N 1 0 420.513 3.847 40 0 HHABRO COc1cccc2ccc(C[N@@H+]3CCC[C@@H](c4cc(C(=O)N5CCCC5)on4)C3)nc21 ZINC000019568438 558927587 /nfs/dbraw/zinc/92/75/87/558927587.db2.gz BXNYRZSDIXHIRZ-GOSISDBHSA-N 1 0 420.513 3.847 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000072330558 558934885 /nfs/dbraw/zinc/93/48/85/558934885.db2.gz RTJVJMQQJWTSBM-RDPSFJRHSA-N 1 0 423.557 3.968 40 0 HHABRO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019580493 558936051 /nfs/dbraw/zinc/93/60/51/558936051.db2.gz QBDPYBZOCHPPHP-RUZDIDTESA-N 1 0 400.526 3.667 40 0 HHABRO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019580529 558936250 /nfs/dbraw/zinc/93/62/50/558936250.db2.gz AECUMXJMHBKLBP-RUZDIDTESA-N 1 0 400.526 3.667 40 0 HHABRO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591327 558941695 /nfs/dbraw/zinc/94/16/95/558941695.db2.gz PSIMKAZXKCTVEU-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019591288 558941705 /nfs/dbraw/zinc/94/17/05/558941705.db2.gz AOGSVAIFCDTXKA-RUZDIDTESA-N 1 0 418.516 3.854 40 0 HHABRO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019591351 558941884 /nfs/dbraw/zinc/94/18/84/558941884.db2.gz GTOJRAKJQILRNP-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO Cc1nc([C@H]2CCCC[N@@H+]2C2CCOCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345452 558941906 /nfs/dbraw/zinc/94/19/06/558941906.db2.gz XNYZRYLYWVPHDA-OAQYLSRUSA-N 1 0 412.509 3.560 40 0 HHABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1 ZINC000072346226 558943076 /nfs/dbraw/zinc/94/30/76/558943076.db2.gz BJMGYICUKMKQMB-KRWDZBQOSA-N 1 0 404.518 3.551 40 0 HHABRO CNc1cc(C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(-c2ccncc2)n1 ZINC000019592294 558943238 /nfs/dbraw/zinc/94/32/38/558943238.db2.gz OTAYUNAZKPJAHN-UHFFFAOYSA-N 1 0 419.529 3.977 40 0 HHABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000072354657 558951814 /nfs/dbraw/zinc/95/18/14/558951814.db2.gz XWTZEPTVUVKBRM-LJQANCHMSA-N 1 0 407.905 3.815 40 0 HHABRO O=C(C[N@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)N1CCCCC1 ZINC000072369955 558956180 /nfs/dbraw/zinc/95/61/80/558956180.db2.gz ZVYZARDEUFAOLW-OAHLLOKOSA-N 1 0 408.424 3.557 40 0 HHABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)CC1 ZINC000019689889 558959382 /nfs/dbraw/zinc/95/93/82/558959382.db2.gz XWFBWIKBLVYRJF-QFIPXVFZSA-N 1 0 421.589 3.995 40 0 HHABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2CC(=O)N(C)C2CCCCC2)[nH+]1 ZINC000072372491 558959899 /nfs/dbraw/zinc/95/98/99/558959899.db2.gz VXRVAPHPEGSZFY-OAQYLSRUSA-N 1 0 408.550 3.852 40 0 HHABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+]3Cc3cnc(C)s3)c2)cn1 ZINC000019690814 558960241 /nfs/dbraw/zinc/96/02/41/558960241.db2.gz WUFBDKYFPUBBNB-OAQYLSRUSA-N 1 0 407.543 3.914 40 0 HHABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000072374854 558962933 /nfs/dbraw/zinc/96/29/33/558962933.db2.gz QKDMYOHWJRACFD-KRWDZBQOSA-N 1 0 420.492 3.881 40 0 HHABRO Cc1nn(C)cc1C[NH+]1CCC(c2nc(N(C)C)ncc2-c2ccccc2F)CC1 ZINC000019695152 558963708 /nfs/dbraw/zinc/96/37/08/558963708.db2.gz YKJXTBVHHQJQSJ-UHFFFAOYSA-N 1 0 408.525 3.770 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3ccc(N)nc3)CC2)cc1 ZINC000019695256 558963936 /nfs/dbraw/zinc/96/39/36/558963936.db2.gz WIQSFRDUUJWADJ-UHFFFAOYSA-N 1 0 418.545 3.575 40 0 HHABRO CCn1cc(C[NH+]2CCC([C@H]3CC=CCN(Cc4cccc(OC)c4)C3=O)CC2)cn1 ZINC000019698463 558965946 /nfs/dbraw/zinc/96/59/46/558965946.db2.gz SYWBVIWTYHPKLF-XMMPIXPASA-N 1 0 422.573 3.729 40 0 HHABRO Cc1nc(-c2ccc(CNC(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)cc2)ccc1C(N)=O ZINC000019700591 558966928 /nfs/dbraw/zinc/96/69/28/558966928.db2.gz LAJARWLFOZRUFQ-UHFFFAOYSA-N 1 0 420.557 3.639 40 0 HHABRO COc1cccc(CN2CC=CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2=O)c1 ZINC000019703729 558967705 /nfs/dbraw/zinc/96/77/05/558967705.db2.gz YYSPAECSZYLFTE-XMMPIXPASA-N 1 0 405.542 3.907 40 0 HHABRO COc1cccc(CN2CC=CC[C@@H](C3CC[NH+](Cc4ccccn4)CC3)C2=O)c1 ZINC000019703737 558967794 /nfs/dbraw/zinc/96/77/94/558967794.db2.gz ZDYYLFUOFLEXGP-DEOSSOPVSA-N 1 0 405.542 3.907 40 0 HHABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2 ZINC000019707421 558969747 /nfs/dbraw/zinc/96/97/47/558969747.db2.gz HNQCSZHWFPEVQP-OAQYLSRUSA-N 1 0 407.562 3.823 40 0 HHABRO COc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[C@@](O)(c5ccc(C)cn5)[C@@H]4C3)cn2)cc1 ZINC000072392568 558972110 /nfs/dbraw/zinc/97/21/10/558972110.db2.gz XOQVJCGJNVPMHI-HOKHCIIBSA-N 1 0 416.525 3.585 40 0 HHABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398632 558976190 /nfs/dbraw/zinc/97/61/90/558976190.db2.gz AUUQDGNDGZBZLJ-RDPSFJRHSA-N 1 0 416.525 3.869 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000072398630 558976344 /nfs/dbraw/zinc/97/63/44/558976344.db2.gz DAAOFDQYLIZYNN-XXBNENTESA-N 1 0 404.489 3.999 40 0 HHABRO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C23CCCCC3)c(=O)n1C ZINC000257318217 559011480 /nfs/dbraw/zinc/01/14/80/559011480.db2.gz VMZYEXNXNJASOJ-JTHBVZDNSA-N 1 0 419.569 3.601 40 0 HHABRO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099820 559024555 /nfs/dbraw/zinc/02/45/55/559024555.db2.gz CWGVABKPIOYAMF-OAQYLSRUSA-N 1 0 402.564 3.912 40 0 HHABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)cc1 ZINC000585104525 559027046 /nfs/dbraw/zinc/02/70/46/559027046.db2.gz PSKWJCJRVSLXHZ-UNMCSNQZSA-N 1 0 400.563 3.503 40 0 HHABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)cc1F ZINC000585104878 559027544 /nfs/dbraw/zinc/02/75/44/559027544.db2.gz VCWANOFBVQZJIV-OAQYLSRUSA-N 1 0 411.521 3.672 40 0 HHABRO COc1ccc(F)c(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4cc(C)on4)[C@H]3C2)c1 ZINC000585109778 559029415 /nfs/dbraw/zinc/02/94/15/559029415.db2.gz STAMOXFLSVUUMC-SXWKCWPCSA-N 1 0 421.472 3.831 40 0 HHABRO Cc1ccc2cc(C(=O)N3CCC[C@](O)(C[NH+]4CCC(F)(F)CC4)CC3)[nH]c2c1 ZINC000585183663 559070461 /nfs/dbraw/zinc/07/04/61/559070461.db2.gz MLABUESXMGJUKT-OAQYLSRUSA-N 1 0 405.489 3.565 40 0 HHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@H+]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000096080522 559094972 /nfs/dbraw/zinc/09/49/72/559094972.db2.gz PJEDUDSGQOSVRV-URXFXBBRSA-N 1 0 423.988 3.690 40 0 HHABRO CCCCN(C)C(=O)c1cnc(-c2noc3cc(N4CC[NH+](C)CC4)ccc32)s1 ZINC000096154606 559099026 /nfs/dbraw/zinc/09/90/26/559099026.db2.gz SMESUCVEAXMDNI-UHFFFAOYSA-N 1 0 413.547 3.575 40 0 HHABRO CCCc1cnc(Nc2cc(CC)nc(C3CCN(C(=O)C(C)(C)[NH3+])CC3)n2)s1 ZINC000585263340 559112020 /nfs/dbraw/zinc/11/20/20/559112020.db2.gz WDEPEBVNJNZDJA-UHFFFAOYSA-N 1 0 416.595 3.635 40 0 HHABRO Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCN(C(=O)[C@@H](C)[NH3+])CC2)n1 ZINC000585263289 559112046 /nfs/dbraw/zinc/11/20/46/559112046.db2.gz VAGLSZBPRRAPKF-CQSZACIVSA-N 1 0 422.558 3.705 40 0 HHABRO COC1(COc2cccc(Cl)c2)CC[NH+](CC(=O)NCCc2ccccc2)CC1 ZINC000585272461 559117993 /nfs/dbraw/zinc/11/79/93/559117993.db2.gz IWUFOAVAQCWLNC-UHFFFAOYSA-N 1 0 416.949 3.559 40 0 HHABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](CC(=O)NCc3ccccc3)CC2)c1 ZINC000585274083 559118833 /nfs/dbraw/zinc/11/88/33/559118833.db2.gz QWJCKEJDKGXCOY-HSZRJFAPSA-N 1 0 416.949 3.561 40 0 HHABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000585281885 559119563 /nfs/dbraw/zinc/11/95/63/559119563.db2.gz SANAWTDIUNTGSV-UHFFFAOYSA-N 1 0 415.361 3.864 40 0 HHABRO Cc1cc(OC[C@@]2(O)COCC[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287334 559121978 /nfs/dbraw/zinc/12/19/78/559121978.db2.gz MSFKBYQEZUCRIS-IEXUWNMDSA-N 1 0 423.569 3.544 40 0 HHABRO COC(=O)c1cccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000098063908 559126394 /nfs/dbraw/zinc/12/63/94/559126394.db2.gz NAMYNPZIGRLNHM-YVNJGZBMSA-N 1 0 409.530 3.900 40 0 HHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107798280 559166017 /nfs/dbraw/zinc/16/60/17/559166017.db2.gz PJEDUDSGQOSVRV-ZJSXRUAMSA-N 1 0 423.988 3.690 40 0 HHABRO COc1ccccc1[C@@H]1C[NH2+]CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257291656 559285798 /nfs/dbraw/zinc/28/57/98/559285798.db2.gz QIAMPRFUQGTJNF-QHCPKHFHSA-N 1 0 415.537 3.547 40 0 HHABRO COc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000880580 560539668 /nfs/dbraw/zinc/53/96/68/560539668.db2.gz JRBJTBLOYNOOAG-UHFFFAOYSA-N 1 0 424.570 3.606 40 0 HHABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004133786 560600731 /nfs/dbraw/zinc/60/07/31/560600731.db2.gz IOULFLFIXZISTD-UHFFFAOYSA-N 1 0 416.635 3.963 40 0 HHABRO COc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)Nc3ccccc3)cc2c1 ZINC000004162001 560602147 /nfs/dbraw/zinc/60/21/47/560602147.db2.gz ILJMXQQWYUHAON-UHFFFAOYSA-N 1 0 424.570 3.687 40 0 HHABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000409055738 560671589 /nfs/dbraw/zinc/67/15/89/560671589.db2.gz ATQOFSOQRAXPLR-YCAYNYMGSA-O 1 0 412.513 3.826 40 0 HHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000005979285 560739187 /nfs/dbraw/zinc/73/91/87/560739187.db2.gz XTSLTXPXEXTLDW-UHFFFAOYSA-N 1 0 401.532 3.672 40 0 HHABRO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222600707 568520129 /nfs/dbraw/zinc/52/01/29/568520129.db2.gz VZXTWXCBYREUJJ-IBGZPJMESA-N 1 0 408.477 3.746 40 0 HHABRO Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000222765873 568525844 /nfs/dbraw/zinc/52/58/44/568525844.db2.gz XNBQEKOUVLWBST-PYCFMQQDSA-N 1 0 409.530 3.741 40 0 HHABRO CC(C)(C)OC(=O)N1CCN(c2cccc(NCc3cccc(F)c3)c2C[NH3+])CC1 ZINC000095096596 568595666 /nfs/dbraw/zinc/59/56/66/568595666.db2.gz WYAVLADTXWCUJF-UHFFFAOYSA-N 1 0 414.525 3.954 40 0 HHABRO COc1cc2c(cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1)CCCC2 ZINC000224803768 568597598 /nfs/dbraw/zinc/59/75/98/568597598.db2.gz OCOAKVHGYZZCSQ-UHFFFAOYSA-N 1 0 414.571 3.648 40 0 HHABRO COc1cc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc(OC)c1OC ZINC000225230145 568624755 /nfs/dbraw/zinc/62/47/55/568624755.db2.gz QDCIJYRWJVOEPC-UHFFFAOYSA-N 1 0 421.588 3.725 40 0 HHABRO O=C1CCCN1c1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225744133 568670408 /nfs/dbraw/zinc/67/04/08/568670408.db2.gz WMJDEYNDDRYTIW-UHFFFAOYSA-N 1 0 408.571 3.548 40 0 HHABRO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000225881672 568683115 /nfs/dbraw/zinc/68/31/15/568683115.db2.gz VVTLSIYCDAHCAY-MRXNPFEDSA-N 1 0 400.494 3.932 40 0 HHABRO c1cn2cc(C[C@@H]3COCC[N@H+](Cc4ccccc4OC4CCCC4)C3)ncc2n1 ZINC000257207956 568778305 /nfs/dbraw/zinc/77/83/05/568778305.db2.gz BKBOKDKDTGILFO-IBGZPJMESA-N 1 0 406.530 3.742 40 0 HHABRO COc1ccc([C@H]2C[N@H+](Cc3c(OC)cccc3OC)[C@@H]3CCOC[C@@H]32)c(OC)c1 ZINC000257232973 568785484 /nfs/dbraw/zinc/78/54/84/568785484.db2.gz GNDXBXVVCJZLBT-HMXCVIKNSA-N 1 0 413.514 3.726 40 0 HHABRO Cc1noc(C)c1CC(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)C1 ZINC000257235329 568786389 /nfs/dbraw/zinc/78/63/89/568786389.db2.gz GXISRDRMOBWZMO-MRXNPFEDSA-N 1 0 409.465 3.831 40 0 HHABRO COc1cccc(Cc2cncc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)[NH2+]4)c2)c1 ZINC000257243001 568788229 /nfs/dbraw/zinc/78/82/29/568788229.db2.gz IFDOKLCQGRWEID-ITAIVJFTSA-N 1 0 405.542 3.816 40 0 HHABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257244506 568788698 /nfs/dbraw/zinc/78/86/98/568788698.db2.gz ILQBPWPXGMPFBW-SFHVURJKSA-N 1 0 400.954 3.803 40 0 HHABRO C[NH+]1CCC(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)CC1 ZINC000257253138 568791235 /nfs/dbraw/zinc/79/12/35/568791235.db2.gz JXSGLQFTGYHVCL-RBBKRZOGSA-N 1 0 412.574 3.886 40 0 HHABRO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257303601 568805379 /nfs/dbraw/zinc/80/53/79/568805379.db2.gz SHWZFZWBKZYVEX-RUZDIDTESA-N 1 0 406.574 3.694 40 0 HHABRO COc1cccc(C[N@@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306123320 568886548 /nfs/dbraw/zinc/88/65/48/568886548.db2.gz AKBITFNHJSSZKG-DEOSSOPVSA-N 1 0 413.525 3.894 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306126385 568889042 /nfs/dbraw/zinc/88/90/42/568889042.db2.gz DUISSIXGEJATBU-NRFANRHFSA-N 1 0 415.545 3.937 40 0 HHABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccccc4F)CC2)CN(C)C3)cc1 ZINC000306126931 568889828 /nfs/dbraw/zinc/88/98/28/568889828.db2.gz FJJJDTBWWJEXFY-UHFFFAOYSA-N 1 0 421.520 3.530 40 0 HHABRO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306128337 568891125 /nfs/dbraw/zinc/89/11/25/568891125.db2.gz GXOXYEBFXGKTGK-XMMPIXPASA-N 1 0 403.482 3.762 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(C)s4)C[C@H]32)cc1 ZINC000306130894 568893444 /nfs/dbraw/zinc/89/34/44/568893444.db2.gz JSFIJIDXVJLRLT-FCHUYYIVSA-N 1 0 407.539 3.948 40 0 HHABRO CCc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131551 568893878 /nfs/dbraw/zinc/89/38/78/568893878.db2.gz KIKDHYZLOYQPGL-NRFANRHFSA-N 1 0 405.546 3.508 40 0 HHABRO Cc1cccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)c1 ZINC000306142043 568903464 /nfs/dbraw/zinc/90/34/64/568903464.db2.gz WNOMDWRYYXJHSZ-UHFFFAOYSA-N 1 0 405.521 3.829 40 0 HHABRO COc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144038 568905449 /nfs/dbraw/zinc/90/54/49/568905449.db2.gz YTZGROZNZXNVHI-YADHBBJMSA-N 1 0 405.473 3.717 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(C(F)(F)F)n1 ZINC000328971692 568970679 /nfs/dbraw/zinc/97/06/79/568970679.db2.gz DSRJWXXFEWWRSM-UHFFFAOYSA-N 1 0 408.255 3.753 40 0 HHABRO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000328991049 568971491 /nfs/dbraw/zinc/97/14/91/568971491.db2.gz IRVFWNAGRNCHCL-CYBMUJFWSA-N 1 0 410.440 3.854 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccn2)n1 ZINC000329024313 568973315 /nfs/dbraw/zinc/97/33/15/568973315.db2.gz OYXBAWLDMKWNQM-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000329040157 568974051 /nfs/dbraw/zinc/97/40/51/568974051.db2.gz SAMTWSJSJJLJHH-UHFFFAOYSA-N 1 0 410.953 3.760 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329069929 568975738 /nfs/dbraw/zinc/97/57/38/568975738.db2.gz ZBHSMKNRWSKMHU-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019701979 569347323 /nfs/dbraw/zinc/34/73/23/569347323.db2.gz UDINNFVWQNPDBC-MRXNPFEDSA-N 1 0 413.518 3.801 40 0 HHABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2N(C)C)cc1 ZINC000019713843 569348458 /nfs/dbraw/zinc/34/84/58/569348458.db2.gz BCEXDEIJHVGICX-PKTZIBPZSA-N 1 0 422.573 3.702 40 0 HHABRO C[NH+](C)CCNc1nc(-c2ccccn2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328958540 571304611 /nfs/dbraw/zinc/30/46/11/571304611.db2.gz APWWWICBFSCPGC-UHFFFAOYSA-N 1 0 418.332 4.258 40 0 HHABRO CC(C)CNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000012602061 291248017 /nfs/dbraw/zinc/24/80/17/291248017.db2.gz IEJLSJAQGJVSNJ-ZCNNSNEGSA-N 1 0 417.667 3.766 40 0 biogenic,in-vitro HHABRO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000035424990 291251500 /nfs/dbraw/zinc/25/15/00/291251500.db2.gz SVMGDQPYMVDZQV-FQEVSTJZSA-N 1 0 419.485 3.975 40 0 biogenic,in-vitro HHABRO Cn1cc(CN2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)c2ccccc21 ZINC000096111820 291257731 /nfs/dbraw/zinc/25/77/31/291257731.db2.gz YAVYURNQPKLRDV-CVDCTZTESA-N 1 0 401.510 3.957 40 0 biogenic,in-vitro HHABRO O=C(Nc1ccc(Cl)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675904 291258909 /nfs/dbraw/zinc/25/89/09/291258909.db2.gz JKHCRMRHUSIMBJ-KRWDZBQOSA-N 1 0 421.848 3.840 40 0 biogenic,in-vitro HHABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CCCc2ccccc2)C1)c1ccco1 ZINC000004236233 291259215 /nfs/dbraw/zinc/25/92/15/291259215.db2.gz YJSDCIYKDAAAGR-VQTJNVASSA-N 1 0 417.509 3.746 40 0 biogenic,in-vitro HHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000044884694 520753024 /nfs/dbraw/zinc/75/30/24/520753024.db2.gz HERSHTCSVPLIQU-UHFFFAOYSA-N 1 0 409.939 3.806 40 0 HHABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857016 522784114 /nfs/dbraw/zinc/78/41/14/522784114.db2.gz BTXLTPVAEQWEIK-JOCHJYFZSA-N 1 0 414.571 3.957 40 0 HHABRO COc1ccc2c(c1)c(C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)c(C)n2C ZINC000072392566 525601981 /nfs/dbraw/zinc/60/19/81/525601981.db2.gz SUOXPFUWCPNJHB-FKRCVWNDSA-N 1 0 405.542 3.928 40 0 HHABRO Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N(C)C3CC[NH+](C)CC3)c12 ZINC000036616718 526296435 /nfs/dbraw/zinc/29/64/35/526296435.db2.gz AKVDESXQTCBBSE-UHFFFAOYSA-N 1 0 417.557 3.832 40 0 HHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(I)cc1 ZINC000032461964 526711912 /nfs/dbraw/zinc/71/19/12/526711912.db2.gz RFPLCMCTNVBBSX-UHFFFAOYSA-N 1 0 420.294 3.817 40 0 HHABRO O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010691453 558259792 /nfs/dbraw/zinc/25/97/92/558259792.db2.gz BYNVQVYLZJZPJX-OAQYLSRUSA-N 1 0 421.541 3.834 40 0 HHABRO CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C[NH+]3CCCC3)cc(C(F)(F)F)c12 ZINC000019742362 558262663 /nfs/dbraw/zinc/26/26/63/558262663.db2.gz KLHCQUKOTBGNKF-OAHLLOKOSA-N 1 0 424.471 3.556 40 0 HHABRO O=C(NCCCn1cccn1)c1ccc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc1 ZINC000019752771 558272057 /nfs/dbraw/zinc/27/20/57/558272057.db2.gz JGCUXDUDUCJWKQ-NRFANRHFSA-N 1 0 421.520 3.617 40 0 HHABRO Cn1cc(C(N)=O)c(CC2CC[NH+](Cc3ccc(-c4cccc(F)c4)cc3)CC2)n1 ZINC000019756715 558274509 /nfs/dbraw/zinc/27/45/09/558274509.db2.gz CXNCQFFNFMRDEK-UHFFFAOYSA-N 1 0 406.505 3.780 40 0 HHABRO CCOc1ccc(C[NH+]2CCC(Cc3cc(N4CCCC4)nc(C)n3)CC2)cc1CO ZINC000019758810 558275286 /nfs/dbraw/zinc/27/52/86/558275286.db2.gz BDBXUGUZSMUPJF-UHFFFAOYSA-N 1 0 424.589 3.731 40 0 HHABRO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012144603 558335867 /nfs/dbraw/zinc/33/58/67/558335867.db2.gz UFDXCBXYJVODFX-UHFFFAOYSA-N 1 0 417.557 3.550 40 0 HHABRO CCOc1cc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@@H]32)ccc1OC ZINC000012188417 558347373 /nfs/dbraw/zinc/34/73/73/558347373.db2.gz LMAGBDFFOQCPTR-IRLDBZIGSA-N 1 0 424.541 3.839 40 0 HHABRO Cc1[nH]c2ccc(F)cc2c1[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000012329201 558384032 /nfs/dbraw/zinc/38/40/32/558384032.db2.gz SFQVDQSCFWJEJT-NHCUHLMSSA-N 1 0 410.489 4.000 40 0 HHABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012329537 558384361 /nfs/dbraw/zinc/38/43/61/558384361.db2.gz ITQPRZQOEJCCPQ-GOTSBHOMSA-N 1 0 405.494 3.930 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)C[C@@H]2O ZINC000012329750 558384507 /nfs/dbraw/zinc/38/45/07/558384507.db2.gz YQEYMLMMDKTXRW-PMACEKPBSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)C[C@H]2O ZINC000012329755 558384531 /nfs/dbraw/zinc/38/45/31/558384531.db2.gz YQEYMLMMDKTXRW-UXHICEINSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012329916 558384846 /nfs/dbraw/zinc/38/48/46/558384846.db2.gz TYEDVSCINYRXPT-WOJBJXKFSA-N 1 0 403.906 3.733 40 0 HHABRO O=c1[nH]c2c(cc1C[NH2+]C[C@@H]1CCCO1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000026440837 558660962 /nfs/dbraw/zinc/66/09/62/558660962.db2.gz ICTSORLSKSUDPJ-FQEVSTJZSA-N 1 0 418.472 3.789 40 0 HHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c(OC)c1OC ZINC000039765591 558685767 /nfs/dbraw/zinc/68/57/67/558685767.db2.gz ZRFKMXQCSUTPCF-UHFFFAOYSA-N 1 0 412.530 3.549 40 0 HHABRO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)CC1 ZINC000039772621 558686386 /nfs/dbraw/zinc/68/63/86/558686386.db2.gz ZEWREAXJTCBQHL-UHFFFAOYSA-N 1 0 407.558 3.564 40 0 HHABRO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039755662 558687590 /nfs/dbraw/zinc/68/75/90/558687590.db2.gz JVRMCDDZIHBFMK-QGZVFWFLSA-N 1 0 400.494 3.630 40 0 HHABRO CC(C)(CN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1)CN1CCOCC1 ZINC000036740508 558801861 /nfs/dbraw/zinc/80/18/61/558801861.db2.gz AJKWZTBHXXMQPD-UHFFFAOYSA-N 1 0 402.627 3.551 40 0 HHABRO CC(C)NC(=O)Cn1cc(CN2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)c2ccccc21 ZINC000036741490 558802311 /nfs/dbraw/zinc/80/23/11/558802311.db2.gz JXWNHFLGELANPH-HXUWFJFHSA-N 1 0 410.606 3.862 40 0 HHABRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cn(CC(=O)NCCOC)c2ccccc12 ZINC000036741528 558802318 /nfs/dbraw/zinc/80/23/18/558802318.db2.gz LTOWTZPNJVKTBO-HXUWFJFHSA-N 1 0 411.571 3.975 40 0 HHABRO Cc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036752902 558802971 /nfs/dbraw/zinc/80/29/71/558802971.db2.gz FBQPBSHKLNGLOW-QGZVFWFLSA-N 1 0 411.575 3.619 40 0 HHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc(CN4CCOCC4)c3)cc2)C1 ZINC000038831725 558816813 /nfs/dbraw/zinc/81/68/13/558816813.db2.gz RQLJPQRWOQMCAY-OAQYLSRUSA-N 1 0 421.585 3.681 40 0 HHABRO O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038831670 558816854 /nfs/dbraw/zinc/81/68/54/558816854.db2.gz OMOMVDBMUPPFNJ-UHFFFAOYSA-N 1 0 421.585 3.825 40 0 HHABRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850734 558818801 /nfs/dbraw/zinc/81/88/01/558818801.db2.gz BYOHFUHOVJXHFQ-QFIPXVFZSA-N 1 0 411.977 3.896 40 0 HHABRO O=C(CC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014901 558837039 /nfs/dbraw/zinc/83/70/39/558837039.db2.gz WGAMTHSNSZZPBX-GOSISDBHSA-N 1 0 412.578 3.769 40 0 HHABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000019133409 558845784 /nfs/dbraw/zinc/84/57/84/558845784.db2.gz FZRPREJZOLOCOH-QILLFSRXSA-N 1 0 409.456 3.795 40 0 HHABRO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219464 558851295 /nfs/dbraw/zinc/85/12/95/558851295.db2.gz PTTRLEAFMGIMJA-RUZDIDTESA-N 1 0 424.516 3.983 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000019290165 558862726 /nfs/dbraw/zinc/86/27/26/558862726.db2.gz NHTJKHYOUJLBSL-NRFANRHFSA-N 1 0 416.573 3.899 40 0 HHABRO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CCN3CCOCC3)n2)cc1 ZINC000019336967 558870435 /nfs/dbraw/zinc/87/04/35/558870435.db2.gz HVUSYOZBKLKNTM-SFHVURJKSA-N 1 0 424.467 3.832 40 0 HHABRO O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019370213 558878340 /nfs/dbraw/zinc/87/83/40/558878340.db2.gz KMBYROMYCPWRFP-QFIPXVFZSA-N 1 0 420.557 3.779 40 0 HHABRO FC(F)(F)[C@H]1C[C@@H]([C@@H]2CCC[N@H+](CCCOc3ccccc3)C2)Nc2ncnn21 ZINC000019373505 558880522 /nfs/dbraw/zinc/88/05/22/558880522.db2.gz FPNAPBUBOKZYRK-BPQIPLTHSA-N 1 0 409.456 3.747 40 0 HHABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019453210 558890808 /nfs/dbraw/zinc/89/08/08/558890808.db2.gz IHKVNTKNFMHYSH-HXUWFJFHSA-N 1 0 411.546 3.775 40 0 HHABRO CCc1cc(C(F)(F)F)n2nc(C3CC[NH+](Cc4cnc(C)nc4)CC3)cc2n1 ZINC000019522463 558903831 /nfs/dbraw/zinc/90/38/31/558903831.db2.gz OTTPWPJNTBGXNM-UHFFFAOYSA-N 1 0 404.440 3.789 40 0 HHABRO CCCn1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c2cc(OC)ccc21 ZINC000019526073 558907523 /nfs/dbraw/zinc/90/75/23/558907523.db2.gz WJBIHLGYLFWOHT-WPUZRXDDSA-N 1 0 422.573 3.913 40 0 HHABRO CCN1CC[N@H+](Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527759 558909037 /nfs/dbraw/zinc/90/90/37/558909037.db2.gz VTDZKDIGXHNOBD-QHCPKHFHSA-N 1 0 414.553 3.975 40 0 HHABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530043 558911232 /nfs/dbraw/zinc/91/12/32/558911232.db2.gz ORMQXLNTCVDJJK-CYFREDJKSA-N 1 0 412.530 3.874 40 0 HHABRO CCOCc1cc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OC ZINC000019531137 558911773 /nfs/dbraw/zinc/91/17/73/558911773.db2.gz KIEOIMZMHGENPL-GOSISDBHSA-N 1 0 409.534 3.545 40 0 HHABRO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)ccc1OC ZINC000019531958 558912044 /nfs/dbraw/zinc/91/20/44/558912044.db2.gz RJCCUZDTZHGAEX-IXDOHACOSA-N 1 0 421.492 3.588 40 0 HHABRO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1OC ZINC000019560560 558921485 /nfs/dbraw/zinc/92/14/85/558921485.db2.gz TVMMBYGHFFFYAG-FCHUYYIVSA-N 1 0 408.542 3.759 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc1OC ZINC000019560894 558921929 /nfs/dbraw/zinc/92/19/29/558921929.db2.gz ZHAUMJNZUYBONP-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO Cc1c2ccccc2oc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C(C)C)C2 ZINC000019566139 558925958 /nfs/dbraw/zinc/92/59/58/558925958.db2.gz JWLJACTWYDNKSJ-IBGZPJMESA-N 1 0 420.513 3.981 40 0 HHABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019570256 558929098 /nfs/dbraw/zinc/92/90/98/558929098.db2.gz PTBDGPUDWKZEIR-LJQANCHMSA-N 1 0 418.545 3.855 40 0 HHABRO CCn1cncc1C[NH+]1CCC([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019578592 558934270 /nfs/dbraw/zinc/93/42/70/558934270.db2.gz SGDNKYLFDYVBDJ-HSZRJFAPSA-N 1 0 421.520 3.820 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000072330576 558935194 /nfs/dbraw/zinc/93/51/94/558935194.db2.gz FCJWSRJSGDQLJE-AGHHOFFYSA-N 1 0 415.484 3.608 40 0 HHABRO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019580532 558936257 /nfs/dbraw/zinc/93/62/57/558936257.db2.gz AECUMXJMHBKLBP-VWLOTQADSA-N 1 0 400.526 3.667 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000072337773 558937963 /nfs/dbraw/zinc/93/79/63/558937963.db2.gz NYOKLTCMXIMYEY-APWZRJJASA-N 1 0 415.559 3.640 40 0 HHABRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(C2CCOCC2)c2cnccc2n1 ZINC000019583604 558938026 /nfs/dbraw/zinc/93/80/26/558938026.db2.gz QRBXJIGFHKJPCJ-UHFFFAOYSA-N 1 0 404.514 3.515 40 0 HHABRO Cc1oc2ccccc2c1C[NH+]1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000072338937 558938418 /nfs/dbraw/zinc/93/84/18/558938418.db2.gz BEQRARMBQOPTNR-QFIPXVFZSA-N 1 0 411.527 3.683 40 0 HHABRO COc1cccc(-c2cccc(C[C@H]3C[N@H+](Cc4ccncc4)CCN(C)C3=O)c2)c1 ZINC000019589530 558940375 /nfs/dbraw/zinc/94/03/75/558940375.db2.gz VRZJUFUYLDPRTC-DEOSSOPVSA-N 1 0 415.537 3.890 40 0 HHABRO Cc1nc2cc(NC(=O)C[N@@H+]3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C ZINC000019658015 558950009 /nfs/dbraw/zinc/95/00/09/558950009.db2.gz KGGILXOIUZSRCA-KRWDZBQOSA-N 1 0 416.529 3.651 40 0 HHABRO NC(=O)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCOCc3ccccc3)C2)c1 ZINC000072356459 558953331 /nfs/dbraw/zinc/95/33/31/558953331.db2.gz FSUKTRNXLUASOG-OAQYLSRUSA-N 1 0 404.514 3.572 40 0 HHABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359681 558955362 /nfs/dbraw/zinc/95/53/62/558955362.db2.gz JKMULUKKLONUGN-QGZVFWFLSA-N 1 0 418.463 3.964 40 0 HHABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cc(-c3cn[nH]c3)cc(C)n1)OCCO2 ZINC000019690832 558960374 /nfs/dbraw/zinc/96/03/74/558960374.db2.gz UZJZQXICWINEBK-HXUWFJFHSA-N 1 0 406.486 3.897 40 0 HHABRO O=C(CC[NH+]1CCCC1)N1CCC[C@@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 ZINC000072374534 558962276 /nfs/dbraw/zinc/96/22/76/558962276.db2.gz SJVOHQWHISTWGS-OAQYLSRUSA-N 1 0 418.545 3.719 40 0 HHABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)Cc2coc3c2ccc(C)c3C)n1 ZINC000019710015 558971933 /nfs/dbraw/zinc/97/19/33/558971933.db2.gz JPYMFOCIZUBICV-QGZVFWFLSA-N 1 0 421.545 3.549 40 0 HHABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2cncn2CC)C1 ZINC000072394095 558973563 /nfs/dbraw/zinc/97/35/63/558973563.db2.gz BDPPFMLIPZQFBZ-XMMPIXPASA-N 1 0 422.529 3.946 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000072398558 558975932 /nfs/dbraw/zinc/97/59/32/558975932.db2.gz QUDIYISPMHIWQV-AVRDEDQJSA-N 1 0 409.530 3.578 40 0 HHABRO COc1ccccc1C[NH+]1CCC([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1 ZINC000072398545 558976046 /nfs/dbraw/zinc/97/60/46/558976046.db2.gz FALWFUXFEZDXQG-XMMPIXPASA-N 1 0 416.525 3.869 40 0 HHABRO CC(C)n1cc(C[N@@H+]2CCC[C@]3(C[C@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102404 559026117 /nfs/dbraw/zinc/02/61/17/559026117.db2.gz HFWWMCABYRSAPF-GMAHTHKFSA-N 1 0 412.534 3.514 40 0 HHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053103 559092924 /nfs/dbraw/zinc/09/29/24/559092924.db2.gz GRJCHWHTOJDEMI-HXUWFJFHSA-N 1 0 405.542 3.899 40 0 HHABRO COCCNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)Oc2ccccc21 ZINC000096053372 559093342 /nfs/dbraw/zinc/09/33/42/559093342.db2.gz FEGNXMJLOBZKGX-LJQANCHMSA-N 1 0 412.530 3.642 40 0 HHABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096056079 559093816 /nfs/dbraw/zinc/09/38/16/559093816.db2.gz LVEZXCKLGMKDIA-RDPSFJRHSA-N 1 0 411.546 3.569 40 0 HHABRO C[N@@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3ccc(Cl)cc3)CC[C@@H]12 ZINC000096145273 559097256 /nfs/dbraw/zinc/09/72/56/559097256.db2.gz QRPYNSPLWMFGLP-NFBKMPQASA-N 1 0 411.933 3.905 40 0 HHABRO O=S1(=O)c2ccccc2O[C@H]2CC[N@@H+](CC3CC3)CC[C@@H]2N1Cc1ccccc1 ZINC000096145860 559097685 /nfs/dbraw/zinc/09/76/85/559097685.db2.gz XEYHBYWDCIWWAH-SFTDATJTSA-N 1 0 412.555 3.513 40 0 HHABRO COC1(COc2ccc(C)cc2C)CC[NH+](CC(=O)NCCc2ccccc2)CC1 ZINC000585273456 559117395 /nfs/dbraw/zinc/11/73/95/559117395.db2.gz OLVUMLFIQFOYBH-UHFFFAOYSA-N 1 0 410.558 3.522 40 0 HHABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)[nH+]1 ZINC000585291850 559124246 /nfs/dbraw/zinc/12/42/46/559124246.db2.gz UJJZARLIDQMKBO-NDDJGDGRSA-N 1 0 416.529 3.990 40 0 HHABRO [NH3+][C@@H](C(=O)NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000072380003 559186527 /nfs/dbraw/zinc/18/65/27/559186527.db2.gz ANMSEIJIPACNNM-RWWKDMOOSA-N 1 0 416.529 3.705 40 0 HHABRO Cc1cc2cc(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1C ZINC000004133562 560600611 /nfs/dbraw/zinc/60/06/11/560600611.db2.gz BAYUMLFYYICTFE-UHFFFAOYSA-N 1 0 422.598 3.583 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409059369 560670882 /nfs/dbraw/zinc/67/08/82/560670882.db2.gz MRARDBMAVPPAHB-GZUHYISBSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 ZINC000409054823 560671428 /nfs/dbraw/zinc/67/14/28/560671428.db2.gz OBKFGRAEEXJZCK-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO CCOc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1cccs1 ZINC000007540485 560751628 /nfs/dbraw/zinc/75/16/28/560751628.db2.gz MDIRPPCDTKMMEH-UHFFFAOYSA-N 1 0 419.576 3.521 40 0 HHABRO COc1cccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)n2)c1 ZINC000219235730 568488206 /nfs/dbraw/zinc/48/82/06/568488206.db2.gz NZYDHPWLSIZJIG-UHFFFAOYSA-N 1 0 420.513 3.907 40 0 HHABRO COc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)n2)c1 ZINC000219406935 568491425 /nfs/dbraw/zinc/49/14/25/568491425.db2.gz KXYFUCVZIPNMQK-UHFFFAOYSA-N 1 0 420.513 3.582 40 0 HHABRO CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000057671241 568495166 /nfs/dbraw/zinc/49/51/66/568495166.db2.gz DHBLPTGCNONYOA-HXUWFJFHSA-N 1 0 414.941 3.877 40 0 HHABRO CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022928754 568500171 /nfs/dbraw/zinc/50/01/71/568500171.db2.gz WWXXBGUTZMNWRG-NRFANRHFSA-N 1 0 414.573 3.997 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000223236682 568542106 /nfs/dbraw/zinc/54/21/06/568542106.db2.gz NWCWRFPLUCDIAV-VXKWHMMOSA-N 1 0 423.561 3.936 40 0 HHABRO Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223260219 568542945 /nfs/dbraw/zinc/54/29/45/568542945.db2.gz VZDXQFVJEKVPQP-FGZHOGPDSA-N 1 0 405.571 3.715 40 0 HHABRO Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223260374 568543059 /nfs/dbraw/zinc/54/30/59/568543059.db2.gz VZDXQFVJEKVPQP-VXKWHMMOSA-N 1 0 405.571 3.715 40 0 HHABRO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000224706611 568593229 /nfs/dbraw/zinc/59/32/29/568593229.db2.gz WLTVFXBPVGSXDY-FXBPSFAMSA-N 1 0 411.571 3.820 40 0 HHABRO CCNC(=O)c1cc(N)ccc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225487871 568642322 /nfs/dbraw/zinc/64/23/22/568642322.db2.gz MILUGQRBQZSNFV-UHFFFAOYSA-N 1 0 414.553 3.930 40 0 HHABRO O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225695906 568665326 /nfs/dbraw/zinc/66/53/26/568665326.db2.gz ZTJABCVKLRSNRQ-OAQYLSRUSA-N 1 0 410.533 3.902 40 0 HHABRO COc1cccc(OC)c1CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903815 568684834 /nfs/dbraw/zinc/68/48/34/568684834.db2.gz PWJNIKHYOYMALU-KRWDZBQOSA-N 1 0 402.922 3.886 40 0 HHABRO O=C(c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1)N1CCCCC1 ZINC000257204128 568777376 /nfs/dbraw/zinc/77/73/76/568777376.db2.gz ATDHUBCHSHJSIP-LJQANCHMSA-N 1 0 403.530 3.964 40 0 HHABRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257227652 568784328 /nfs/dbraw/zinc/78/43/28/568784328.db2.gz FQHDJBAURLRWLV-FQEVSTJZSA-N 1 0 424.589 3.775 40 0 HHABRO Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@@H]3Cc2ccccc2)c1 ZINC000257239463 568787283 /nfs/dbraw/zinc/78/72/83/568787283.db2.gz HPIUHWBZZWDICA-ACUMWEPGSA-N 1 0 406.574 3.667 40 0 HHABRO CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257261900 568793314 /nfs/dbraw/zinc/79/33/14/568793314.db2.gz LJFVKUHDSAJNAO-SFHVURJKSA-N 1 0 402.564 3.818 40 0 HHABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@](C(N)=O)(c2ccccn2)C1 ZINC000257297743 568803804 /nfs/dbraw/zinc/80/38/04/568803804.db2.gz RIQPGTGNLIDQGF-RUZDIDTESA-N 1 0 401.510 3.776 40 0 HHABRO Cc1nc(N)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257301724 568804841 /nfs/dbraw/zinc/80/48/41/568804841.db2.gz RZQHUAUQQWGLPZ-BANDYGIESA-N 1 0 410.587 3.780 40 0 HHABRO Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000257304176 568805603 /nfs/dbraw/zinc/80/56/03/568805603.db2.gz SKJJNMWQJIESGS-UHFFFAOYSA-N 1 0 420.492 3.881 40 0 HHABRO Cc1cccc(Nc2cncc(C3CCN(C(=O)CC[N@H+]4CCCC[C@@H]4C)CC3)n2)n1 ZINC000257313978 568808381 /nfs/dbraw/zinc/80/83/81/568808381.db2.gz UUXQBDQXNGLSJI-IBGZPJMESA-N 1 0 422.577 3.894 40 0 HHABRO CC(C)Cc1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)n(C)n1 ZINC000257316838 568809383 /nfs/dbraw/zinc/80/93/83/568809383.db2.gz VHFUUYULWGTJEB-YDYQCYGMSA-N 1 0 420.601 3.975 40 0 HHABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257318458 568809788 /nfs/dbraw/zinc/80/97/88/568809788.db2.gz VOAQNJKSPWEANG-HSZRJFAPSA-N 1 0 407.558 3.688 40 0 HHABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257318459 568809866 /nfs/dbraw/zinc/80/98/66/568809866.db2.gz VOAQNJKSPWEANG-QHCPKHFHSA-N 1 0 407.558 3.688 40 0 HHABRO O=C(NCC[NH+]1CCCCC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257319428 568810196 /nfs/dbraw/zinc/81/01/96/568810196.db2.gz VSMAVIGWSYAPAJ-UHFFFAOYSA-N 1 0 407.558 3.690 40 0 HHABRO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@H+](CC3CC3)C2)ccc1Cl ZINC000257329321 568812862 /nfs/dbraw/zinc/81/28/62/568812862.db2.gz XJKCSAMEMAFZLB-HSZRJFAPSA-N 1 0 420.981 3.768 40 0 HHABRO CC(C)n1ccc(-c2nc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c3ccccn32)c1 ZINC000306125056 568887912 /nfs/dbraw/zinc/88/79/12/568887912.db2.gz CFXAYJMMYCQGDZ-UHFFFAOYSA-N 1 0 414.513 3.741 40 0 HHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306126134 568888905 /nfs/dbraw/zinc/88/89/05/568888905.db2.gz DOANAYSLPFOABI-QPPBQGQZSA-N 1 0 410.537 3.831 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4sccc4C)C[C@H]32)cc1 ZINC000306126311 568889136 /nfs/dbraw/zinc/88/91/36/568889136.db2.gz DSHYZWBZAJXILH-LEWJYISDSA-N 1 0 407.539 3.948 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4sccc4C)C[C@@H]32)cc1 ZINC000306126314 568889179 /nfs/dbraw/zinc/88/91/79/568889179.db2.gz DSHYZWBZAJXILH-SFTDATJTSA-N 1 0 407.539 3.948 40 0 HHABRO COCCN1CC[C@]2(C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130470 568892853 /nfs/dbraw/zinc/89/28/53/568892853.db2.gz JHJDGWCBPRRDAH-WIOPSUGQSA-N 1 0 424.589 3.545 40 0 HHABRO Cc1nc2c(n1C(C)C)CN(C(=O)c1cccn1C)CC21CC[NH+](CC(C)C)CC1 ZINC000306134352 568896322 /nfs/dbraw/zinc/89/63/22/568896322.db2.gz NKMIVQBFNDCZAJ-UHFFFAOYSA-N 1 0 411.594 3.757 40 0 HHABRO Cc1ccc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)s1 ZINC000306134771 568896760 /nfs/dbraw/zinc/89/67/60/568896760.db2.gz NXTRKLYOYOUWNP-OAQYLSRUSA-N 1 0 404.543 3.650 40 0 HHABRO C[NH+](C)CCn1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c3ccccn32)c1 ZINC000306143130 568904661 /nfs/dbraw/zinc/90/46/61/568904661.db2.gz XTVZAIQVBHRBRW-UHFFFAOYSA-N 1 0 421.932 3.948 40 0 HHABRO COc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144036 568905368 /nfs/dbraw/zinc/90/53/68/568905368.db2.gz YTZGROZNZXNVHI-FGZHOGPDSA-N 1 0 405.473 3.717 40 0 HHABRO CCOC[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242701896 568970063 /nfs/dbraw/zinc/97/00/63/568970063.db2.gz WQIRXLPCLCLVOB-IPMKNSEASA-N 1 0 414.354 3.915 40 0 HHABRO C[NH+](C)CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)n1 ZINC000328965630 568970050 /nfs/dbraw/zinc/97/00/50/568970050.db2.gz CEPMECVWPHFYFI-UHFFFAOYSA-N 1 0 421.467 3.789 40 0 HHABRO C[NH+](C)CCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328989011 568971651 /nfs/dbraw/zinc/97/16/51/568971651.db2.gz IHSHKLLHMIAHBJ-UHFFFAOYSA-N 1 0 401.436 3.723 40 0 HHABRO CCC(=O)N(CCC[NH+](C)C)c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1 ZINC000004187202 569051740 /nfs/dbraw/zinc/05/17/40/569051740.db2.gz MKHLKUJXDGNBCL-UHFFFAOYSA-N 1 0 408.955 3.672 40 0 HHABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000248104925 569316207 /nfs/dbraw/zinc/31/62/07/569316207.db2.gz FSGUBIJXAQJZLO-UYAOXDASSA-N 1 0 418.541 3.556 40 0 HHABRO COc1ncc([C@]2(O)CCC[C@@H]3C[N@H+](Cc4ccc(C(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000253608431 569318406 /nfs/dbraw/zinc/31/84/06/569318406.db2.gz NDYQBMVSSLLTOF-ZILOHOTNSA-N 1 0 411.546 3.737 40 0 HHABRO COCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063172 569342384 /nfs/dbraw/zinc/34/23/84/569342384.db2.gz UEPZHPKIQHGEJB-UHFFFAOYSA-N 1 0 423.557 3.612 40 0 HHABRO CC[C@@H](C)C[N@@H+]1CCC[C@@H](C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)C1 ZINC000019499910 569345707 /nfs/dbraw/zinc/34/57/07/569345707.db2.gz ASAWMYHRLAUDGZ-TZIWHRDSSA-N 1 0 400.563 3.715 40 0 HHABRO O=C(c1sc2ncccc2c1[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000019702035 569347354 /nfs/dbraw/zinc/34/73/54/569347354.db2.gz KHFFRJUUVAWDFB-LJQANCHMSA-N 1 0 421.566 3.801 40 0 HHABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](c3c4cccnc4sc3C(N)=O)C1)CO2 ZINC000019702232 569347416 /nfs/dbraw/zinc/34/74/16/569347416.db2.gz BNUWAXJKFRHULB-OAHLLOKOSA-N 1 0 421.522 3.669 40 0 HHABRO CC(=O)N1CCC[C@@H]1c1nc(C[N@H+](C)C/C(C)=C/c2ccccc2)cc(N(C)C)n1 ZINC000019709820 569348198 /nfs/dbraw/zinc/34/81/98/569348198.db2.gz PPYVVCCNIUSNBB-OVWUPXBPSA-N 1 0 407.562 3.761 40 0 HHABRO O=C(NCC[NH+]1CCCCC1)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211521421 569356032 /nfs/dbraw/zinc/35/60/32/569356032.db2.gz OMUGZPQTSMRGJQ-HAVVHWLPSA-N 1 0 416.525 3.541 40 0 HHABRO CN(C)c1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4C[NH2+]Cc3ccco3)n(C)n2)cc1 ZINC000039560667 291250447 /nfs/dbraw/zinc/25/04/47/291250447.db2.gz PDDVHUXFXUSXHA-WPYKKVEZSA-N 1 0 419.573 3.714 40 0 biogenic,in-vitro HHABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3c[nH]c4ccccc34)n2)cn1 ZINC000035425417 291251490 /nfs/dbraw/zinc/25/14/90/291251490.db2.gz YJVCBHCNSAVVIJ-FQEVSTJZSA-N 1 0 419.485 3.975 40 0 biogenic,in-vitro HHABRO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1)c1ccco1 ZINC000067870791 291258936 /nfs/dbraw/zinc/25/89/36/291258936.db2.gz KBWSMJCOXGKZOY-KMDXXIMOSA-N 1 0 421.585 3.675 40 0 biogenic,in-vitro HHABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(OCc4ccccc4)CC3)ccc21 ZINC000012326554 132358786 /nfs/dbraw/zinc/35/87/86/132358786.db2.gz DXKIBLRJRKEHCN-RUZDIDTESA-N 1 0 408.542 3.700 40 0 HHABRO CC[NH+](CC)CCOC(=O)[C@H](C)Oc1c2ccoc2c(OC)c2oc(C)cc(=O)c12 ZINC000006382265 557700765 /nfs/dbraw/zinc/70/07/65/557700765.db2.gz MUZUSXFFAUEEQN-AWEZNQCLSA-N 1 0 417.458 3.509 40 0 HHABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3Cl)cc2)CC1 ZINC000006517672 557706072 /nfs/dbraw/zinc/70/60/72/557706072.db2.gz VRKQQBHMNOWSDC-UHFFFAOYSA-N 1 0 416.978 3.917 40 0 HHABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000006517669 557706130 /nfs/dbraw/zinc/70/61/30/557706130.db2.gz VFVDWXRKSXDXKZ-UHFFFAOYSA-N 1 0 402.951 3.609 40 0 HHABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000006517663 557706245 /nfs/dbraw/zinc/70/62/45/557706245.db2.gz OMRDXUVHVXAHDO-UHFFFAOYSA-N 1 0 416.978 3.538 40 0 HHABRO Cc1nc(C2CC[NH+](CCc3ccccc3)CC2)nc2c1CCC(=O)N2CC1CC1 ZINC000019739325 558260271 /nfs/dbraw/zinc/26/02/71/558260271.db2.gz OFSJOUUNIFVDMP-UHFFFAOYSA-N 1 0 404.558 3.896 40 0 HHABRO CC(=O)N1CCC([NH+]2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000019744896 558265497 /nfs/dbraw/zinc/26/54/97/558265497.db2.gz HVEXTZDNFBCNIW-DEOSSOPVSA-N 1 0 411.590 3.538 40 0 HHABRO CC1(C)C=C(CC(=O)N2CC[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)CC(C)(C)[NH2+]1 ZINC000019761897 558276915 /nfs/dbraw/zinc/27/69/15/558276915.db2.gz ADGPKMGMNYRDDN-QGZVFWFLSA-N 1 0 420.557 3.517 40 0 HHABRO Cc1cc(-c2cnc(N3CCCC3)nc2C2CC[NH+](Cc3ccccn3)CC2)on1 ZINC000012232374 558358252 /nfs/dbraw/zinc/35/82/52/558358252.db2.gz NXFBVTZLIQKBKV-UHFFFAOYSA-N 1 0 404.518 3.815 40 0 HHABRO CC(C)NC(=O)Cn1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012240482 558360195 /nfs/dbraw/zinc/36/01/95/558360195.db2.gz KUCPNKMZBXRQAJ-UHFFFAOYSA-N 1 0 423.532 3.789 40 0 HHABRO CCOCc1cc(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)ccc1OC ZINC000012292829 558365872 /nfs/dbraw/zinc/36/58/72/558365872.db2.gz OIBOJVIFMKDEND-UHFFFAOYSA-N 1 0 414.521 3.998 40 0 HHABRO COc1ccc2c(C[NH+]3CCC(NC(C)=O)(c4ccccc4F)CC3)cn(C)c2c1 ZINC000012293051 558366025 /nfs/dbraw/zinc/36/60/25/558366025.db2.gz RLRHHVJGEYPQBM-UHFFFAOYSA-N 1 0 409.505 3.953 40 0 HHABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293774 558367431 /nfs/dbraw/zinc/36/74/31/558367431.db2.gz QYBWBLLAOIVVBN-YADHBBJMSA-N 1 0 424.541 3.728 40 0 HHABRO COc1ccccc1N1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000020494077 558379431 /nfs/dbraw/zinc/37/94/31/558379431.db2.gz ZQZBESPFWFKIIH-HXUWFJFHSA-N 1 0 407.558 3.890 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc1OC ZINC000012329209 558383984 /nfs/dbraw/zinc/38/39/84/558383984.db2.gz KRMPJCRUUXQLBI-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329762 558384614 /nfs/dbraw/zinc/38/46/14/558384614.db2.gz GFKMZNTXUDFXMH-UXHICEINSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330266 558385170 /nfs/dbraw/zinc/38/51/70/558385170.db2.gz FBDGYPQGWAGPQE-ZEQRLZLVSA-N 1 0 423.553 3.958 40 0 HHABRO CC[NH+](CC)CCNC(=S)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020608606 558389022 /nfs/dbraw/zinc/38/90/22/558389022.db2.gz QJAFUXMOKRMBRA-UHFFFAOYSA-N 1 0 415.403 3.922 40 0 HHABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000030325997 558728869 /nfs/dbraw/zinc/72/88/69/558728869.db2.gz ZTRJCVNKEDDASM-UHFFFAOYSA-N 1 0 408.951 3.813 40 0 HHABRO Cc1ccc([C@@H](CNC(=O)Cn2c(=O)oc3ccc(Cl)cc32)[NH+]2CCCC2)cc1 ZINC000035317046 558789947 /nfs/dbraw/zinc/78/99/47/558789947.db2.gz GAECZJSMNIOTLY-LJQANCHMSA-N 1 0 413.905 3.510 40 0 HHABRO O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014803 558836784 /nfs/dbraw/zinc/83/67/84/558836784.db2.gz WAHJMYBYWFGFNG-OAQYLSRUSA-N 1 0 412.578 3.562 40 0 HHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3ccsc3)C1)O2 ZINC000019019606 558837614 /nfs/dbraw/zinc/83/76/14/558837614.db2.gz UDXSLKIBBDLZKJ-PGRDOPGGSA-N 1 0 400.544 3.778 40 0 HHABRO Cc1cc(C)n(-c2cccc(C[N@@H+]3C[C@@H](c4cccnc4)[C@]4(C3)CCCC(=O)N4)c2)n1 ZINC000019116431 558841854 /nfs/dbraw/zinc/84/18/54/558841854.db2.gz OCKUEFSBZRTFMM-UKILVPOCSA-N 1 0 415.541 3.522 40 0 HHABRO Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccn3)C2)C1 ZINC000019237334 558856409 /nfs/dbraw/zinc/85/64/09/558856409.db2.gz KVWQKKCKLKMUGY-XZOQPEGZSA-N 1 0 421.585 3.962 40 0 HHABRO COc1cccc(C(=O)N2CCCC[C@H]3C[N@H+](Cc4ccncc4C)C[C@H]32)c1OC ZINC000019239535 558858166 /nfs/dbraw/zinc/85/81/66/558858166.db2.gz PCRMLWXPUPSIKB-PZJWPPBQSA-N 1 0 409.530 3.534 40 0 HHABRO Cn1ccnc1[C@H](NC(=O)C[NH+]1CCC(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000019291200 558863588 /nfs/dbraw/zinc/86/35/88/558863588.db2.gz AYLOOQHDEWXXKV-HSZRJFAPSA-N 1 0 406.505 3.644 40 0 HHABRO NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019348346 558874117 /nfs/dbraw/zinc/87/41/17/558874117.db2.gz XGVUPVARFJGLOY-DEOSSOPVSA-N 1 0 404.489 3.593 40 0 HHABRO O=C(N[C@@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccccc3Cl)CC2)no1 ZINC000019348893 558874595 /nfs/dbraw/zinc/87/45/95/558874595.db2.gz HNIHYVFVFOZMIR-QGZVFWFLSA-N 1 0 403.910 3.616 40 0 HHABRO Fc1ccccc1OCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019368115 558877031 /nfs/dbraw/zinc/87/70/31/558877031.db2.gz FCGYDNVOBCSPHS-BHYGNILZSA-N 1 0 409.456 3.589 40 0 HHABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019370387 558878534 /nfs/dbraw/zinc/87/85/34/558878534.db2.gz VWTYPWDKTDFTLR-WIOPSUGQSA-N 1 0 400.526 3.789 40 0 HHABRO O=C(N[C@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)no1 ZINC000019376067 558882319 /nfs/dbraw/zinc/88/23/19/558882319.db2.gz ZUOMCPVSTIBDEL-IBGZPJMESA-N 1 0 420.513 3.511 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000019400694 558883299 /nfs/dbraw/zinc/88/32/99/558883299.db2.gz FCJWSRJSGDQLJE-RBDMOPTHSA-N 1 0 415.484 3.608 40 0 HHABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000057225268 558887791 /nfs/dbraw/zinc/88/77/91/558887791.db2.gz KKLIGYMGIBIXLI-UHFFFAOYSA-N 1 0 402.922 3.967 40 0 HHABRO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000019499247 558897527 /nfs/dbraw/zinc/89/75/27/558897527.db2.gz KHKJKRFPQFOTBI-YWZLYKJASA-N 1 0 403.548 3.640 40 0 HHABRO CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019499868 558898013 /nfs/dbraw/zinc/89/80/13/558898013.db2.gz IISGUXOPNHOGQP-VPWFFCTISA-N 1 0 400.567 3.829 40 0 HHABRO CCc1ncc(C[N@@H+]2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523311 558904380 /nfs/dbraw/zinc/90/43/80/558904380.db2.gz ZUZMBIBPYHHQTR-RUZDIDTESA-N 1 0 400.526 3.626 40 0 HHABRO CCn1c(C[N@@H+]2C[C@@H](c3cccc(OC)c3)[C@]3(C2)CCCC(=O)N3)nc2ccccc21 ZINC000019524316 558905447 /nfs/dbraw/zinc/90/54/47/558905447.db2.gz VSWSTBMFAAJFSI-NBGIEHNGSA-N 1 0 418.541 3.703 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cc4nc(C)cc(C(F)(F)F)c4c(=O)[nH]3)C2)cn1 ZINC000019524915 558906246 /nfs/dbraw/zinc/90/62/46/558906246.db2.gz VBICXSKGHXSTSK-HNNXBMFYSA-N 1 0 419.451 3.846 40 0 HHABRO CCOCc1cc(C[NH+]2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)ccc1OC ZINC000019531127 558911660 /nfs/dbraw/zinc/91/16/60/558911660.db2.gz BPSJZGPTBVDJOA-UHFFFAOYSA-N 1 0 424.501 3.762 40 0 HHABRO COc1cc2c(cc1C[N@@H+]1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)CCC2 ZINC000019550616 558915128 /nfs/dbraw/zinc/91/51/28/558915128.db2.gz MJOUHCWUPGMEKJ-SQJMNOBHSA-N 1 0 405.542 3.607 40 0 HHABRO CNc1ncc(C[N@@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019568949 558928028 /nfs/dbraw/zinc/92/80/28/558928028.db2.gz DUSPFKBOFVSVOR-CYBMUJFWSA-N 1 0 406.412 3.761 40 0 HHABRO CNc1ncc(C[N@@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019568952 558928129 /nfs/dbraw/zinc/92/81/29/558928129.db2.gz DUSPFKBOFVSVOR-ZDUSSCGKSA-N 1 0 406.412 3.761 40 0 HHABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019591289 558941657 /nfs/dbraw/zinc/94/16/57/558941657.db2.gz AOGSVAIFCDTXKA-VWLOTQADSA-N 1 0 418.516 3.854 40 0 HHABRO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)n1 ZINC000072350211 558947114 /nfs/dbraw/zinc/94/71/14/558947114.db2.gz QZZWCVBOSPBGRM-NRFANRHFSA-N 1 0 407.558 3.871 40 0 HHABRO Cc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)sc2C[NH+](C)C)cc1 ZINC000019659736 558951138 /nfs/dbraw/zinc/95/11/38/558951138.db2.gz CMTBVKMLLOCIMT-MRXNPFEDSA-N 1 0 414.575 3.766 40 0 HHABRO O=C(Nc1nnc(-c2ccccc2F)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000019661191 558952388 /nfs/dbraw/zinc/95/23/88/558952388.db2.gz ADJNYDRPGUBBCY-UHFFFAOYSA-N 1 0 411.506 3.632 40 0 HHABRO O=C(c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccccn2)C1)N1CCOCC1 ZINC000072356025 558952748 /nfs/dbraw/zinc/95/27/48/558952748.db2.gz QYDYLWVZIIXXLQ-QGZVFWFLSA-N 1 0 407.539 3.758 40 0 HHABRO COCCN1CC=CC[C@H](C2CC[NH+](Cc3ccccc3OCC(C)C)CC2)C1=O ZINC000072371086 558957712 /nfs/dbraw/zinc/95/77/12/558957712.db2.gz FDSJPFWEEDPCKP-HSZRJFAPSA-N 1 0 414.590 3.985 40 0 HHABRO Cn1cc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371568 558958665 /nfs/dbraw/zinc/95/86/65/558958665.db2.gz AUJRKLGIPWTYEA-MRXNPFEDSA-N 1 0 419.451 3.773 40 0 HHABRO Cc1cccc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)c1 ZINC000019689673 558959172 /nfs/dbraw/zinc/95/91/72/558959172.db2.gz YHOAWKREGYUTJJ-JOCHJYFZSA-N 1 0 415.541 3.954 40 0 HHABRO Cc1n[nH]c(C)c1NC(=O)C1(Cc2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372221 558959427 /nfs/dbraw/zinc/95/94/27/558959427.db2.gz DPEORFFOLFOGAN-OAQYLSRUSA-N 1 0 410.562 3.814 40 0 HHABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2CC(=O)Nc2ccccc2F)[nH+]1 ZINC000072372500 558959925 /nfs/dbraw/zinc/95/99/25/558959925.db2.gz ZBMUONQNLFJGCR-FQEVSTJZSA-N 1 0 406.465 3.838 40 0 HHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000072374838 558962905 /nfs/dbraw/zinc/96/29/05/558962905.db2.gz RHTYYLUQKBQPHZ-LJQANCHMSA-N 1 0 410.566 3.588 40 0 HHABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)[nH+]1 ZINC000072374871 558963057 /nfs/dbraw/zinc/96/30/57/558963057.db2.gz ZWQMHRTWYRHJDX-QGZVFWFLSA-N 1 0 420.492 3.881 40 0 HHABRO Cc1noc(CCC(=O)N2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)n1 ZINC000072375061 558963357 /nfs/dbraw/zinc/96/33/57/558963357.db2.gz ROHLOYNCMXQTGJ-GOSISDBHSA-N 1 0 420.517 3.867 40 0 HHABRO C[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(Cl)c2)CC1 ZINC000072377286 558966690 /nfs/dbraw/zinc/96/66/90/558966690.db2.gz KVONCHYDPIBOAE-IBGZPJMESA-N 1 0 413.953 3.775 40 0 HHABRO C[C@H](CC[N@@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1)c1ccccc1 ZINC000019701040 558967274 /nfs/dbraw/zinc/96/72/74/558967274.db2.gz KDKZWCLRXSWIHZ-GOSISDBHSA-N 1 0 415.541 3.541 40 0 HHABRO CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCC[NH+](C)C)CC1 ZINC000257259462 558995486 /nfs/dbraw/zinc/99/54/86/558995486.db2.gz KYNDQRJSCOYUJO-QAQDUYKDSA-N 1 0 401.576 3.603 40 0 HHABRO COc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000096037075 559090961 /nfs/dbraw/zinc/09/09/61/559090961.db2.gz CDOOCVROQGGHQQ-UHFFFAOYSA-N 1 0 406.530 3.897 40 0 HHABRO C[NH+](C)CCCNC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096037755 559091594 /nfs/dbraw/zinc/09/15/94/559091594.db2.gz HPECKPIHTPJXGN-UHFFFAOYSA-N 1 0 403.530 3.704 40 0 HHABRO COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCC[NH+](C)C)cc43)cs2)cc1 ZINC000096037889 559091650 /nfs/dbraw/zinc/09/16/50/559091650.db2.gz JBGZQRYHAZKQJX-UHFFFAOYSA-N 1 0 422.510 3.918 40 0 HHABRO Cc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH+](Cc2cccc(F)c2)CC3)cc1 ZINC000096046633 559092135 /nfs/dbraw/zinc/09/21/35/559092135.db2.gz DOXCNWAQFAGDMY-UHFFFAOYSA-N 1 0 402.535 3.811 40 0 HHABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053467 559093421 /nfs/dbraw/zinc/09/34/21/559093421.db2.gz IPNQTFUDYADXTG-FQEVSTJZSA-N 1 0 410.562 3.580 40 0 HHABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096061354 559094070 /nfs/dbraw/zinc/09/40/70/559094070.db2.gz SUNSOFCKUXHCLR-QHCPKHFHSA-N 1 0 408.542 3.692 40 0 HHABRO COc1ccc(-c2nc(C3CC[NH+](Cc4cnn(C)c4)CC3)cc3c2ncn3C)cc1 ZINC000096099979 559095293 /nfs/dbraw/zinc/09/52/93/559095293.db2.gz XEBOPTXSBLFRJS-UHFFFAOYSA-N 1 0 416.529 3.757 40 0 HHABRO COc1cccc(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)c1 ZINC000096215651 559101910 /nfs/dbraw/zinc/10/19/10/559101910.db2.gz SUSOXKBMULWELJ-RUZDIDTESA-N 1 0 408.542 3.761 40 0 HHABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C(=O)c2cnc(C)cn2)Cc2ccccc23)o1 ZINC000096242593 559104153 /nfs/dbraw/zinc/10/41/53/559104153.db2.gz AZOOFDXZLPWGFH-UHFFFAOYSA-N 1 0 416.525 3.876 40 0 HHABRO COc1cc(N2Cc3ccccc3C3(CC[NH+](Cc4cccc(C)n4)CC3)C2)ncn1 ZINC000096242609 559104243 /nfs/dbraw/zinc/10/42/43/559104243.db2.gz PGKXUJSZGBTOGP-UHFFFAOYSA-N 1 0 415.541 3.743 40 0 HHABRO O=C(CCc1cccnc1)N1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096245510 559105043 /nfs/dbraw/zinc/10/50/43/559105043.db2.gz PDXXZHKPHCAMDN-OALUTQOASA-N 1 0 403.448 3.623 40 0 HHABRO CC(C)CC[NH+]1CCC2(CC1)O[C@H](C(=O)Nc1ccc(Cl)cc1)Cn1ccnc12 ZINC000096262979 559106926 /nfs/dbraw/zinc/10/69/26/559106926.db2.gz MLTIRXVQUQVHGU-IBGZPJMESA-N 1 0 416.953 3.911 40 0 HHABRO COc1ccc(NC(=O)c2ccc3ccc(N4CC[NH+](CC5CC5)CC4)n3c2)cc1 ZINC000096267360 559108045 /nfs/dbraw/zinc/10/80/45/559108045.db2.gz UDXRWTKFGWLEBC-UHFFFAOYSA-N 1 0 404.514 3.732 40 0 HHABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2ccccc2)C1 ZINC000585287302 559121046 /nfs/dbraw/zinc/12/10/46/559121046.db2.gz MIFZVESWBCLIAE-HFMPRLQTSA-N 1 0 402.579 3.566 40 0 HHABRO O[C@H]1CC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585284962 559121498 /nfs/dbraw/zinc/12/14/98/559121498.db2.gz BDTHNKGNDGMJSQ-WJNSRDFLSA-N 1 0 417.496 3.868 40 0 HHABRO CC(=O)Nc1cccc([C@@H]2C[N@H+](CCc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)c1 ZINC000257313143 559282874 /nfs/dbraw/zinc/28/28/74/559282874.db2.gz URENXUOOLYKTEP-UKILVPOCSA-N 1 0 423.532 3.855 40 0 HHABRO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000000889932 560542109 /nfs/dbraw/zinc/54/21/09/560542109.db2.gz PGJJVSVRGJKEEE-MRXNPFEDSA-N 1 0 404.328 3.621 40 0 HHABRO Cc1cc(C)c2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000004132532 560599989 /nfs/dbraw/zinc/59/99/89/560599989.db2.gz UIEGRESGWMJGAH-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO CCCCNC(=S)N(CCC[NH+](C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004162016 560602175 /nfs/dbraw/zinc/60/21/75/560602175.db2.gz RDISVKKTYDLGQZ-UHFFFAOYSA-N 1 0 402.608 3.573 40 0 HHABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3F)cc12 ZINC000004231252 560602970 /nfs/dbraw/zinc/60/29/70/560602970.db2.gz PDQKRQURTGTOGX-UHFFFAOYSA-N 1 0 410.493 3.880 40 0 HHABRO O=C(Nc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408858863 560648252 /nfs/dbraw/zinc/64/82/52/560648252.db2.gz QLDLPVYSXOFSDI-UHFFFAOYSA-N 1 0 415.493 3.990 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409057571 560670599 /nfs/dbraw/zinc/67/05/99/560670599.db2.gz HMDSIOSNZSDZIU-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 ZINC000409054813 560671372 /nfs/dbraw/zinc/67/13/72/560671372.db2.gz OBKFGRAEEXJZCK-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC000006613402 560744413 /nfs/dbraw/zinc/74/44/13/560744413.db2.gz IITCXBYQYVSEQM-UHFFFAOYSA-N 1 0 402.951 3.527 40 0 HHABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000008253737 560753405 /nfs/dbraw/zinc/75/34/05/560753405.db2.gz DAACTBRMBBEPPZ-CYBMUJFWSA-N 1 0 407.308 3.563 40 0 HHABRO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000020140104 560881300 /nfs/dbraw/zinc/88/13/00/560881300.db2.gz LIXOOWRARNKVII-OAQYLSRUSA-N 1 0 414.573 3.997 40 0 HHABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000022075736 568473929 /nfs/dbraw/zinc/47/39/29/568473929.db2.gz HCZQIGPHYIBHDQ-CQSZACIVSA-N 1 0 413.345 3.641 40 0 HHABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022075674 568473943 /nfs/dbraw/zinc/47/39/43/568473943.db2.gz BLECLZNDXLFNGZ-OAHLLOKOSA-N 1 0 410.917 3.517 40 0 HHABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000057316226 568492218 /nfs/dbraw/zinc/49/22/18/568492218.db2.gz IRVNAYLKVAPMND-UHFFFAOYSA-N 1 0 409.530 3.775 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000223278189 568543746 /nfs/dbraw/zinc/54/37/46/568543746.db2.gz NYOPEYKDNMTXLF-NHCUHLMSSA-N 1 0 409.534 3.546 40 0 HHABRO C[NH+]1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)CC1 ZINC000223974153 568564991 /nfs/dbraw/zinc/56/49/91/568564991.db2.gz QNMYRIHXJGEJNG-UHFFFAOYSA-N 1 0 409.603 3.632 40 0 HHABRO Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000224526141 568583605 /nfs/dbraw/zinc/58/36/05/568583605.db2.gz LCWCFCLVIRKEMH-XLNRJJMWSA-N 1 0 409.530 3.597 40 0 HHABRO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532875 568583855 /nfs/dbraw/zinc/58/38/55/568583855.db2.gz MGLRZDKLYXYVOC-UHFFFAOYSA-N 1 0 402.922 3.756 40 0 HHABRO O=S(=O)(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Br)cc1 ZINC000224608915 568587799 /nfs/dbraw/zinc/58/77/99/568587799.db2.gz AEROKCFCVOTWCV-UHFFFAOYSA-N 1 0 409.349 3.523 40 0 HHABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(C)c1C ZINC000224701682 568592754 /nfs/dbraw/zinc/59/27/54/568592754.db2.gz WUNPPGBXAQLOIG-UHFFFAOYSA-N 1 0 402.560 3.776 40 0 HHABRO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000224834315 568599123 /nfs/dbraw/zinc/59/91/23/568599123.db2.gz ZSWYEDWCRMJVKA-MRXNPFEDSA-N 1 0 400.494 3.932 40 0 HHABRO COc1cc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000224852889 568600482 /nfs/dbraw/zinc/60/04/82/568600482.db2.gz XFQXKIBPQCSLEA-UHFFFAOYSA-N 1 0 402.560 3.776 40 0 HHABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000225574329 568653056 /nfs/dbraw/zinc/65/30/56/568653056.db2.gz NHRKPIYRTKSKPS-UHFFFAOYSA-N 1 0 400.494 3.843 40 0 HHABRO COc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCOCC2)cc1 ZINC000225584397 568654501 /nfs/dbraw/zinc/65/45/01/568654501.db2.gz OMUKGWFQTIIPDY-UHFFFAOYSA-N 1 0 412.530 3.713 40 0 HHABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000225737887 568669740 /nfs/dbraw/zinc/66/97/40/568669740.db2.gz RXGKDIPSRIUYRP-GOSISDBHSA-N 1 0 402.608 3.721 40 0 HHABRO CN(C)C(=O)c1sc2nc([C@]3(C)CCC[N@H+](Cc4cccnc4)C3)ccc2c1N ZINC000257234695 568786093 /nfs/dbraw/zinc/78/60/93/568786093.db2.gz GUSPZEZXXLHDFK-JOCHJYFZSA-N 1 0 409.559 3.529 40 0 HHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ncccc1O)[C@H]2Cc1ccccc1 ZINC000257251977 568790888 /nfs/dbraw/zinc/79/08/88/568790888.db2.gz JTCOIACRNOTZTN-ATMZJQGESA-N 1 0 405.542 3.876 40 0 HHABRO CCc1ccc([C@H]2CN(C(=O)c3cccc(Cn4ccnc4)c3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257290448 568801591 /nfs/dbraw/zinc/80/15/91/568801591.db2.gz QCZNVGRTGZJEMW-UBFVSLLYSA-N 1 0 414.553 3.712 40 0 HHABRO O=C1CO[C@@]2(CN1Cc1ccccc1)CCC[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000257293145 568802483 /nfs/dbraw/zinc/80/24/83/568802483.db2.gz QOIAYKAOJCSLQI-QHCPKHFHSA-N 1 0 400.469 3.749 40 0 HHABRO CN(CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1)Cc1ccccn1 ZINC000257299470 568804245 /nfs/dbraw/zinc/80/42/45/568804245.db2.gz RQELRKQYQIBAJI-IBGZPJMESA-N 1 0 422.504 3.638 40 0 HHABRO Cc1nc(CN2CC[C@]3(C[N@H+](C4CCC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306123804 568886793 /nfs/dbraw/zinc/88/67/93/568886793.db2.gz AXHTXKOQMZEGPT-SIKLNZKXSA-N 1 0 413.591 3.600 40 0 HHABRO O=C(CC1CC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306125903 568888656 /nfs/dbraw/zinc/88/86/56/568888656.db2.gz DFHFTGYOLHEUPS-UHFFFAOYSA-N 1 0 420.557 3.656 40 0 HHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306126136 568888825 /nfs/dbraw/zinc/88/88/25/568888825.db2.gz DOANAYSLPFOABI-XUZZJYLKSA-N 1 0 410.537 3.831 40 0 HHABRO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306129221 568891842 /nfs/dbraw/zinc/89/18/42/568891842.db2.gz HXUPPDKZTIXUNO-HSZRJFAPSA-N 1 0 407.445 3.593 40 0 HHABRO Cc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306130878 568893478 /nfs/dbraw/zinc/89/34/78/568893478.db2.gz JRTDMISHIWPRKC-XMMPIXPASA-N 1 0 403.482 3.762 40 0 HHABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306131326 568893590 /nfs/dbraw/zinc/89/35/90/568893590.db2.gz KCAHHJJLPOIXNZ-LADGPHEKSA-N 1 0 419.550 3.540 40 0 HHABRO Cn1cc(C(=O)N2CCC3(C[C@H](C[NH+]4CCC(F)(F)CC4)O3)CC2)c2ccccc21 ZINC000306133777 568895935 /nfs/dbraw/zinc/89/59/35/568895935.db2.gz MVVFOQMHYMPXKI-QGZVFWFLSA-N 1 0 417.500 3.673 40 0 HHABRO CN1CC2(CC[NH+](Cc3cccs3)CC2)c2nc(-c3ccccc3)ncc2C1=O ZINC000306134677 568896769 /nfs/dbraw/zinc/89/67/69/568896769.db2.gz NVEVDTRVZLNONI-UHFFFAOYSA-N 1 0 404.539 3.825 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(OC)cc4)C[C@@H]32)cc1 ZINC000306135215 568897209 /nfs/dbraw/zinc/89/72/09/568897209.db2.gz OLCAVNMLPFVOLQ-ZEQRLZLVSA-N 1 0 417.509 3.587 40 0 HHABRO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)cc1 ZINC000306137665 568899657 /nfs/dbraw/zinc/89/96/57/568899657.db2.gz RCTCCDNDTHMQGQ-FCHUYYIVSA-N 1 0 406.555 3.897 40 0 HHABRO Cc1nc(CN2c3ccccc3NC3(CC[NH+](Cc4ccncc4)CC3)C2=O)cs1 ZINC000306143033 568904769 /nfs/dbraw/zinc/90/47/69/568904769.db2.gz XRJIHLSYCBCBEJ-UHFFFAOYSA-N 1 0 419.554 3.840 40 0 HHABRO COC[C@@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218589452 568938423 /nfs/dbraw/zinc/93/84/23/568938423.db2.gz QZBLKSMVNIQJEB-BZSNNMDCSA-N 1 0 400.327 3.525 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccncc2)n1 ZINC000328966683 568970238 /nfs/dbraw/zinc/97/02/38/568970238.db2.gz CNYCTDUSFWMQGS-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO C[NH+](C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)n1 ZINC000329068001 568975542 /nfs/dbraw/zinc/97/55/42/568975542.db2.gz YLVGUMZVECGCQP-UHFFFAOYSA-N 1 0 417.435 3.603 40 0 HHABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329066364 568975562 /nfs/dbraw/zinc/97/55/62/568975562.db2.gz YAMHMUFPGKRNBX-QGZVFWFLSA-N 1 0 405.340 3.539 40 0 HHABRO 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 569058977 /nfs/dbraw/zinc/05/89/77/569058977.db2.gz LPPMVEHGZWXTBA-MJQMVNBJSA-N 1 0 424.570 3.741 40 0 HHABRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010332469 569343874 /nfs/dbraw/zinc/34/38/74/569343874.db2.gz YIUPKGLHCDFUOK-UHFFFAOYSA-N 1 0 412.486 3.729 40 0 HHABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@H+](CC(C)(C)C)C3)nc2C)c1 ZINC000019763428 569348870 /nfs/dbraw/zinc/34/88/70/569348870.db2.gz LVJMJOWVIONDIU-IBGZPJMESA-N 1 0 410.562 3.949 40 0 HHABRO C[NH+](C)CCNc1nc(-c2ccncc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329069053 571304619 /nfs/dbraw/zinc/30/46/19/571304619.db2.gz YULHHVLBYANPNW-UHFFFAOYSA-N 1 0 418.332 4.258 40 0 HHABRO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3c[nH]c4ccccc34)n2)ccn1 ZINC000035424786 291251569 /nfs/dbraw/zinc/25/15/69/291251569.db2.gz DYZSRFGOEFOUNS-FQEVSTJZSA-N 1 0 419.485 3.975 40 0 biogenic,in-vitro HHABRO COc1ccc2c(C[N@@H+]3CC[C@@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072352523 525501165 /nfs/dbraw/zinc/50/11/65/525501165.db2.gz OKROAHJTYJEVHL-CQSZACIVSA-N 1 0 420.538 3.885 40 0 HHABRO CC[NH+](CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccc(OC)cc3)oc12 ZINC000001582681 557274144 /nfs/dbraw/zinc/27/41/44/557274144.db2.gz LZAONEACRHDLOA-UHFFFAOYSA-N 1 0 409.482 3.896 40 0 HHABRO O=C(CCC[NH+]1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O)c1ccc(F)cc1 ZINC000001664529 557279266 /nfs/dbraw/zinc/27/92/66/557279266.db2.gz JDSYEHKPXVPYNY-UHFFFAOYSA-N 1 0 410.445 3.807 40 0 HHABRO CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2Cl)CC1 ZINC000006241949 557695746 /nfs/dbraw/zinc/69/57/46/557695746.db2.gz MVFQYUBHHZPTEN-UHFFFAOYSA-N 1 0 420.941 3.748 40 0 HHABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000006517675 557706169 /nfs/dbraw/zinc/70/61/69/557706169.db2.gz MHEVFJFLQPZMCL-UHFFFAOYSA-N 1 0 402.951 3.609 40 0 HHABRO COc1cc(C[NH2+]CCO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008470187 557791695 /nfs/dbraw/zinc/79/16/95/557791695.db2.gz GFULBSSDAKYDQN-UHFFFAOYSA-N 1 0 400.700 3.772 40 0 HHABRO Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000019754952 558274009 /nfs/dbraw/zinc/27/40/09/558274009.db2.gz LPKLMDCNENILBJ-UHFFFAOYSA-N 1 0 413.522 3.723 40 0 HHABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000012147605 558338337 /nfs/dbraw/zinc/33/83/37/558338337.db2.gz AJEBYTSZBBUEIL-UHFFFAOYSA-N 1 0 406.505 3.698 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3cc(C)sc3C)CC1)C[C@@H]2O ZINC000012241587 558360291 /nfs/dbraw/zinc/36/02/91/558360291.db2.gz PFTZKXRLFBVXKN-VQTJNVASSA-N 1 0 403.544 3.758 40 0 HHABRO COc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(C)ccc1O2 ZINC000012293236 558366184 /nfs/dbraw/zinc/36/61/84/558366184.db2.gz XDGAUBKGOQPUIK-PKTZIBPZSA-N 1 0 422.525 3.869 40 0 HHABRO CCn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c2ccccc21 ZINC000012293280 558366476 /nfs/dbraw/zinc/36/64/76/558366476.db2.gz JFUABABIVMGFJS-PKTZIBPZSA-N 1 0 422.525 3.751 40 0 HHABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293783 558367318 /nfs/dbraw/zinc/36/73/18/558367318.db2.gz QYBWBLLAOIVVBN-FCHUYYIVSA-N 1 0 424.541 3.728 40 0 HHABRO Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3cccc4ccccc43)n2)s1 ZINC000020477895 558374437 /nfs/dbraw/zinc/37/44/37/558374437.db2.gz TZYBOLIWFAHOCG-UHFFFAOYSA-N 1 0 423.527 3.834 40 0 HHABRO CC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329386 558384053 /nfs/dbraw/zinc/38/40/53/558384053.db2.gz BTORJSRZHAVUOV-DHIUTWEWSA-N 1 0 424.541 3.646 40 0 HHABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012329541 558384234 /nfs/dbraw/zinc/38/42/34/558384234.db2.gz ITQPRZQOEJCCPQ-XZOQPEGZSA-N 1 0 405.494 3.930 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)C[C@@H]2O ZINC000012330245 558385220 /nfs/dbraw/zinc/38/52/20/558385220.db2.gz OVCVEWHEMTXRCE-BJKOFHAPSA-N 1 0 423.553 3.958 40 0 HHABRO Cc1ccc(OCC[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000012407928 558398933 /nfs/dbraw/zinc/39/89/33/558398933.db2.gz ICWLDPAIFHMMCG-ZWKOTPCHSA-N 1 0 409.456 3.665 40 0 HHABRO Cc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929566 558523385 /nfs/dbraw/zinc/52/33/85/558523385.db2.gz ZISRTCUIUXHOOU-QHCPKHFHSA-N 1 0 420.561 3.663 40 0 HHABRO O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014788 558836847 /nfs/dbraw/zinc/83/68/47/558836847.db2.gz SDZPFXKSEVZQKX-OAQYLSRUSA-N 1 0 412.578 3.562 40 0 HHABRO Cc1cc(C)n(-c2nc(C(=O)N3CCCC[C@H]3C[NH+]3CCCCCC3)cs2)n1 ZINC000019116447 558841933 /nfs/dbraw/zinc/84/19/33/558841933.db2.gz CWRVYJRSNALFFD-SFHVURJKSA-N 1 0 401.580 3.816 40 0 HHABRO Cc1ccc([C@H](C)CC[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)o1 ZINC000019216297 558850313 /nfs/dbraw/zinc/85/03/13/558850313.db2.gz OIJCEHIRLKTVNK-WZONZLPQSA-N 1 0 408.546 3.719 40 0 HHABRO Cc1nccn1CC1(O)CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000019287977 558861234 /nfs/dbraw/zinc/86/12/34/558861234.db2.gz ADPQIKWDHRLIQY-UHFFFAOYSA-N 1 0 409.505 3.937 40 0 HHABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)Cc2ccccc2F)CC1 ZINC000019288912 558861716 /nfs/dbraw/zinc/86/17/16/558861716.db2.gz DGMGZQAWKAEMBT-UHFFFAOYSA-N 1 0 424.495 3.689 40 0 HHABRO O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2cnccn2)[nH]1 ZINC000019292896 558864729 /nfs/dbraw/zinc/86/47/29/558864729.db2.gz IJHLTRMINBBYHH-AWEZNQCLSA-N 1 0 416.312 3.913 40 0 HHABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019370389 558878562 /nfs/dbraw/zinc/87/85/62/558878562.db2.gz IKGONPDUUWLZKG-RDGATRHJSA-N 1 0 400.526 3.789 40 0 HHABRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019453212 558890728 /nfs/dbraw/zinc/89/07/28/558890728.db2.gz IHKVNTKNFMHYSH-FQEVSTJZSA-N 1 0 411.546 3.775 40 0 HHABRO COc1ccc(OC(C)(C)C(=O)Nc2nnc(CC[NH+]3CCC(C)CC3)s2)cc1 ZINC000019496917 558895687 /nfs/dbraw/zinc/89/56/87/558895687.db2.gz QHHFEKDSPJEIRF-UHFFFAOYSA-N 1 0 418.563 3.617 40 0 HHABRO C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000019497332 558896130 /nfs/dbraw/zinc/89/61/30/558896130.db2.gz CVWXBAAMDBGOQY-IYBDPMFKSA-N 1 0 416.953 3.692 40 0 HHABRO CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)c2N1 ZINC000019520888 558902222 /nfs/dbraw/zinc/90/22/22/558902222.db2.gz UAHZEJQIMRAUAJ-JQHSSLGASA-N 1 0 423.483 3.922 40 0 HHABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccnc2)C1 ZINC000019529173 558910773 /nfs/dbraw/zinc/91/07/73/558910773.db2.gz PRKNGJUCDIYREH-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO CCOCc1cc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OC ZINC000019531139 558911651 /nfs/dbraw/zinc/91/16/51/558911651.db2.gz KIEOIMZMHGENPL-SFHVURJKSA-N 1 0 409.534 3.545 40 0 HHABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532007 558912058 /nfs/dbraw/zinc/91/20/58/558912058.db2.gz CGZLSGUBCUINND-IBGZPJMESA-N 1 0 420.513 3.619 40 0 HHABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532003 558912269 /nfs/dbraw/zinc/91/22/69/558912269.db2.gz JWOGARHTJPRIHV-SFHVURJKSA-N 1 0 420.513 3.619 40 0 HHABRO COc1cccc2ccc(C[N@@H+]3CCC[C@H](c4cc(C(=O)NC5CC5)on4)C3)nc21 ZINC000019568448 558927550 /nfs/dbraw/zinc/92/75/50/558927550.db2.gz UPWUWHQVPNJQQB-INIZCTEOSA-N 1 0 406.486 3.503 40 0 HHABRO CCn1cncc1C[NH+]1CCC([C@@H](NC(=O)c2ccccc2C)c2ccccn2)CC1 ZINC000019578597 558934338 /nfs/dbraw/zinc/93/43/38/558934338.db2.gz IZLYTZYXAAEDCJ-XMMPIXPASA-N 1 0 417.557 3.990 40 0 HHABRO CCc1ncc(C[NH+]2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)cn1 ZINC000072340798 558939305 /nfs/dbraw/zinc/93/93/05/558939305.db2.gz PLXCTSQSLZIISB-UHFFFAOYSA-N 1 0 404.440 3.789 40 0 HHABRO C[C@@H](C[NH+]1CCN(c2c(F)cccc2[C@@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000072340569 558939339 /nfs/dbraw/zinc/93/93/39/558939339.db2.gz LYYGHRWBSCRPAV-FDDCHVKYSA-N 1 0 408.521 3.567 40 0 HHABRO COc1ccccc1C[N@@H+]1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019589649 558940429 /nfs/dbraw/zinc/94/04/29/558940429.db2.gz PQKIAKZUKXDMHE-QHCPKHFHSA-N 1 0 415.537 3.890 40 0 HHABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cccc(OC)c3OC)C2)nc(-c2ccncc2)n1 ZINC000019592278 558943258 /nfs/dbraw/zinc/94/32/58/558943258.db2.gz BYLBGHDOOKRQDY-GOSISDBHSA-N 1 0 419.529 3.977 40 0 HHABRO COCCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000019593870 558945151 /nfs/dbraw/zinc/94/51/51/558945151.db2.gz MAMHKNAQFLUGQG-PLWWPAAYSA-N 1 0 411.546 3.745 40 0 HHABRO COc1ccccc1Cc1cccc(C2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000072348715 558945513 /nfs/dbraw/zinc/94/55/13/558945513.db2.gz QOSHJBHNLVYLFK-UHFFFAOYSA-N 1 0 407.558 3.873 40 0 HHABRO Cc1cc(NCCNC(=O)C2(c3cccc(F)c3)CCOCC2)c2ccccc2[nH+]1 ZINC000019655037 558948430 /nfs/dbraw/zinc/94/84/30/558948430.db2.gz DEHQNQVEWQCJDM-UHFFFAOYSA-N 1 0 407.489 3.959 40 0 HHABRO COc1ccc2c(C[N@@H+]3CC[C@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072352522 558949023 /nfs/dbraw/zinc/94/90/23/558949023.db2.gz OKROAHJTYJEVHL-AWEZNQCLSA-N 1 0 420.538 3.885 40 0 HHABRO Cc1cc(N)n(-c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)cc2)n1 ZINC000019660704 558951796 /nfs/dbraw/zinc/95/17/96/558951796.db2.gz CKSSGHPVPYDIRQ-JOCHJYFZSA-N 1 0 403.530 3.720 40 0 HHABRO COc1ccc(CN(Cc2cnc(N3CCC(C)CC3)nc2)C2CC[NH+](C)CC2)cc1 ZINC000019664413 558954780 /nfs/dbraw/zinc/95/47/80/558954780.db2.gz VYXOIXDTMONJEP-UHFFFAOYSA-N 1 0 423.605 3.818 40 0 HHABRO C[N@@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCCc4ccccn4)CCOCC3)c2)C1 ZINC000072372258 558959414 /nfs/dbraw/zinc/95/94/14/558959414.db2.gz XSZATOIGAKBQCZ-HSZRJFAPSA-N 1 0 421.585 3.589 40 0 HHABRO CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693967 558961925 /nfs/dbraw/zinc/96/19/25/558961925.db2.gz UITGYNCVZCZTBH-GOSISDBHSA-N 1 0 410.953 3.976 40 0 HHABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)c1 ZINC000019694081 558962252 /nfs/dbraw/zinc/96/22/52/558962252.db2.gz QGVBRYHMUQSHGU-LJQANCHMSA-N 1 0 420.561 3.640 40 0 HHABRO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCC[N@@H+]2Cc2cnn(C)c2C)cc1 ZINC000019694320 558962767 /nfs/dbraw/zinc/96/27/67/558962767.db2.gz YCUIMFJHONWQLZ-JOCHJYFZSA-N 1 0 420.561 3.987 40 0 HHABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3cccc(F)c3)CC2)nc1-c1ccc(OC)cc1 ZINC000019697008 558964749 /nfs/dbraw/zinc/96/47/49/558964749.db2.gz YCXRZEXGORTNIE-UHFFFAOYSA-N 1 0 422.504 3.964 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398635 558976328 /nfs/dbraw/zinc/97/63/28/558976328.db2.gz CCFVDMDIPDHLOZ-YKSBVNFPSA-N 1 0 416.525 3.869 40 0 HHABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(N[C@@H]2CCOc3ccccc32)[nH]1 ZINC000019717481 558980096 /nfs/dbraw/zinc/98/00/96/558980096.db2.gz IDYLNCGZPINDLT-HXUWFJFHSA-N 1 0 417.513 3.893 40 0 HHABRO Cc1c(C(=O)N[C@H](CC[NH+]2CCCCC2)c2ccccc2)sc2[nH]c(C)nc(=O)c12 ZINC000019719000 558982551 /nfs/dbraw/zinc/98/25/51/558982551.db2.gz CRXYTGBWXBPKQT-GOSISDBHSA-N 1 0 424.570 3.949 40 0 HHABRO CN(C)c1ncc(C(=O)N2CCC[C@@]3(CCC[N@@H+]3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100294 559023850 /nfs/dbraw/zinc/02/38/50/559023850.db2.gz ARFRHWPOBCMXEX-JOCHJYFZSA-N 1 0 418.488 3.680 40 0 HHABRO O=C(COc1cccc(Cl)c1)N1CCC[C@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100719 559024295 /nfs/dbraw/zinc/02/42/95/559024295.db2.gz URFGISSVDRWIDQ-IRLDBZIGSA-N 1 0 406.954 3.745 40 0 HHABRO COCC[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2)C(C)C ZINC000585104810 559027356 /nfs/dbraw/zinc/02/73/56/559027356.db2.gz SZGCQKVYPWQGAI-FQEVSTJZSA-N 1 0 406.542 3.502 40 0 HHABRO Cc1ccc2cc(C(=O)N3CCC[C@@](O)(C[NH+]4CCC(F)(F)CC4)CC3)[nH]c2c1 ZINC000585183662 559070441 /nfs/dbraw/zinc/07/04/41/559070441.db2.gz MLABUESXMGJUKT-NRFANRHFSA-N 1 0 405.489 3.565 40 0 HHABRO C[NH+](C)CCCNC(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 ZINC000096037827 559091581 /nfs/dbraw/zinc/09/15/81/559091581.db2.gz WDZQTQBMDRZTEW-UHFFFAOYSA-N 1 0 408.433 3.970 40 0 HHABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000585261807 559109516 /nfs/dbraw/zinc/10/95/16/559109516.db2.gz NCGPEEREHPHNLZ-XMMPIXPASA-N 1 0 410.533 3.733 40 0 HHABRO CCCc1cnc(Nc2nc(C3CCN(C(=O)C(C)(C)[NH3+])CC3)nc(C)c2F)s1 ZINC000585263397 559111746 /nfs/dbraw/zinc/11/17/46/559111746.db2.gz YIBSYUXDMQBGPU-UHFFFAOYSA-N 1 0 420.558 3.520 40 0 HHABRO Cc1noc(C)c1COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1 ZINC000585268692 559112992 /nfs/dbraw/zinc/11/29/92/559112992.db2.gz UJPJOPZGFPEFSS-ZEQRLZLVSA-N 1 0 408.498 3.803 40 0 HHABRO COC1(COc2cccc(Cl)c2)CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000585272987 559117194 /nfs/dbraw/zinc/11/71/94/559117194.db2.gz MADBMDPXFUYNQY-UHFFFAOYSA-N 1 0 402.922 3.516 40 0 HHABRO Cc1cnn(CCOc2cccc(C[N@@H+]3CCC[C@@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271812 559117775 /nfs/dbraw/zinc/11/77/75/559117775.db2.gz OSONZDJBBRLLOY-VWLOTQADSA-N 1 0 421.541 3.676 40 0 HHABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2ccccc2)C1 ZINC000585282362 559120081 /nfs/dbraw/zinc/12/00/81/559120081.db2.gz IIMQOIWBJQLPKL-DGWZTRNLSA-N 1 0 422.569 3.687 40 0 HHABRO O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCCn3ccnc3)c2)C1 ZINC000257330241 559283352 /nfs/dbraw/zinc/28/33/52/559283352.db2.gz XNNNVGPQJMPUQA-VWLOTQADSA-N 1 0 421.541 3.758 40 0 HHABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@H](O)COC3CCCCC3)cc2)n1 ZINC000257238860 559284075 /nfs/dbraw/zinc/28/40/75/559284075.db2.gz HMVPBRYZDWGTCD-QFIPXVFZSA-N 1 0 415.578 3.721 40 0 HHABRO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000000880631 560539674 /nfs/dbraw/zinc/53/96/74/560539674.db2.gz DDHMGHGIDITATE-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO Cc1cccc(NC(=S)N(CC[NH+](C)C)Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000000884946 560540319 /nfs/dbraw/zinc/54/03/19/560540319.db2.gz LNLGWNZJBGNLKY-UHFFFAOYSA-N 1 0 408.571 3.906 40 0 HHABRO CC[C@@H](C)NC(=S)N(CCC[NH+](C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004161961 560602081 /nfs/dbraw/zinc/60/20/81/560602081.db2.gz RYPWDSYTIAUEAL-QGZVFWFLSA-N 1 0 402.608 3.572 40 0 HHABRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000004231207 560602930 /nfs/dbraw/zinc/60/29/30/560602930.db2.gz HNOWSJMQGALHBU-UHFFFAOYSA-N 1 0 422.529 3.749 40 0 HHABRO COc1ccccc1NC(=O)COc1ccc(/C=C/c2cc[n+](C)cc2)cc1OC ZINC000005002288 560620373 /nfs/dbraw/zinc/62/03/73/560620373.db2.gz HIRPECXPLVCKOS-CMDGGOBGSA-O 1 0 405.474 3.716 40 0 HHABRO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+]2CCCC2)c2cccc3ccccc32)cc1 ZINC000005023365 560623707 /nfs/dbraw/zinc/62/37/07/560623707.db2.gz NHRFXQSQARCIKK-NRFANRHFSA-N 1 0 424.566 3.800 40 0 HHABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409056675 560670406 /nfs/dbraw/zinc/67/04/06/560670406.db2.gz HSSSLAKFAWVAQU-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409057572 560670600 /nfs/dbraw/zinc/67/06/00/560670600.db2.gz HMDSIOSNZSDZIU-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000409058309 560670654 /nfs/dbraw/zinc/67/06/54/560670654.db2.gz NOYBFPHEJULXHE-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000409058306 560670683 /nfs/dbraw/zinc/67/06/83/560670683.db2.gz NOYBFPHEJULXHE-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2)CC1 ZINC000006026478 560739380 /nfs/dbraw/zinc/73/93/80/560739380.db2.gz HARRLNMWULWJRS-UHFFFAOYSA-N 1 0 411.399 3.646 40 0 HHABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000012709695 560786312 /nfs/dbraw/zinc/78/63/12/560786312.db2.gz IBIRAFXIHBLKRW-UHFFFAOYSA-N 1 0 414.619 3.661 40 0 HHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC1)O2 ZINC000019219276 560872046 /nfs/dbraw/zinc/87/20/46/560872046.db2.gz MQIIQCGDWOTLOZ-MTNREXPMSA-N 1 0 409.526 3.703 40 0 HHABRO Cc1nc(-c2ccco2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)n1 ZINC000015672584 565104583 /nfs/dbraw/zinc/10/45/83/565104583.db2.gz UHQFSNMBHJNKRF-ZCNNSNEGSA-N 1 0 402.498 3.653 40 0 biogenic,in-vitro HHABRO CNC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000203155914 568420954 /nfs/dbraw/zinc/42/09/54/568420954.db2.gz DKJAVRLCSOOWEZ-UHFFFAOYSA-N 1 0 400.526 3.540 40 0 HHABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCc1c(Cl)cccc1Cl ZINC000022074830 568473959 /nfs/dbraw/zinc/47/39/59/568473959.db2.gz BJWHIXLBKIPVBD-CQSZACIVSA-N 1 0 413.345 3.641 40 0 HHABRO CC[NH+](CC)CCNCc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000022107418 568475391 /nfs/dbraw/zinc/47/53/91/568475391.db2.gz JAWJYGNFORXTCJ-UHFFFAOYSA-N 1 0 422.367 3.863 40 0 HHABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2c3cccnc3[nH]c2-c2ccco2)cc1 ZINC000057773477 568497687 /nfs/dbraw/zinc/49/76/87/568497687.db2.gz FLFPZOUWPMQDJP-MRXNPFEDSA-N 1 0 407.470 3.703 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000223236346 568542109 /nfs/dbraw/zinc/54/21/09/568542109.db2.gz UGLSOYXORLSVSJ-FGZHOGPDSA-N 1 0 423.561 3.936 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000223278686 568543756 /nfs/dbraw/zinc/54/37/56/568543756.db2.gz FGMUWQWXXPBINH-NHCUHLMSSA-N 1 0 409.534 3.546 40 0 HHABRO CCc1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1OC ZINC000224536012 568583988 /nfs/dbraw/zinc/58/39/88/568583988.db2.gz KPKXFIVUFDBRBW-UHFFFAOYSA-N 1 0 402.560 3.722 40 0 HHABRO COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224538916 568584164 /nfs/dbraw/zinc/58/41/64/568584164.db2.gz XCCDMQSIRCNQFS-UHFFFAOYSA-N 1 0 408.951 3.813 40 0 HHABRO COc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224702011 568592980 /nfs/dbraw/zinc/59/29/80/568592980.db2.gz QINFTMOZJRPYQL-UHFFFAOYSA-N 1 0 408.951 3.813 40 0 HHABRO Cc1cc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1N1CCCC1=O ZINC000225731041 568668849 /nfs/dbraw/zinc/66/88/49/568668849.db2.gz RATWQJVUNKMZPF-CALCHBBNSA-N 1 0 402.608 3.776 40 0 HHABRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000260845559 568742067 /nfs/dbraw/zinc/74/20/67/568742067.db2.gz TYBAQKQSSABVHX-AEFFLSMTSA-N 1 0 400.494 3.932 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c(C)c1C ZINC000257264310 568794101 /nfs/dbraw/zinc/79/41/01/568794101.db2.gz LTVNMNRMLSCTGJ-NRFANRHFSA-N 1 0 424.589 3.775 40 0 HHABRO Cc1cccnc1Nc1cccc(C2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)n1 ZINC000257273665 568796830 /nfs/dbraw/zinc/79/68/30/568796830.db2.gz NHQGAXADZNDZAK-UHFFFAOYSA-N 1 0 407.562 3.967 40 0 HHABRO Cc1ncsc1C[N@H+]1CCC[C@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 ZINC000257281399 568798878 /nfs/dbraw/zinc/79/88/78/568798878.db2.gz OOZGAOPUARDUKY-AWEZNQCLSA-N 1 0 401.561 3.682 40 0 HHABRO 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 568801176 /nfs/dbraw/zinc/80/11/76/568801176.db2.gz PZDACLGOBNDAJN-GPMSIDNRSA-N 1 0 424.932 3.649 40 0 HHABRO Cc1cccc(Nc2cncc(C3CCN(C(=O)CC[N@H+]4CCCC[C@H]4C)CC3)n2)n1 ZINC000257313979 568808438 /nfs/dbraw/zinc/80/84/38/568808438.db2.gz UUXQBDQXNGLSJI-LJQANCHMSA-N 1 0 422.577 3.894 40 0 HHABRO Cc1nn(C)cc1C(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)CC1 ZINC000257316363 568809269 /nfs/dbraw/zinc/80/92/69/568809269.db2.gz VFFVHYLIHHTOTG-UHFFFAOYSA-N 1 0 408.481 3.729 40 0 HHABRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257317511 568809590 /nfs/dbraw/zinc/80/95/90/568809590.db2.gz VKAFAOXOFHXYFT-JZYSJVQDSA-N 1 0 418.603 3.541 40 0 HHABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4ncccc4O)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257321597 568810781 /nfs/dbraw/zinc/81/07/81/568810781.db2.gz WCIFUUNCCVOYIV-IOLIHYBQSA-N 1 0 405.542 3.876 40 0 HHABRO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@H+](CC3CC3)C2)ccc1Cl ZINC000257329322 568812870 /nfs/dbraw/zinc/81/28/70/568812870.db2.gz XJKCSAMEMAFZLB-QHCPKHFHSA-N 1 0 420.981 3.768 40 0 HHABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)Nc1ccccc1N(Cc1cccnc1)C2=O ZINC000306125537 568888319 /nfs/dbraw/zinc/88/83/19/568888319.db2.gz CTJRPQXPHROOSD-UHFFFAOYSA-N 1 0 417.513 3.680 40 0 HHABRO CC(C)c1nc2c(s1)CN(C(=O)N(C)C)CC21CC[NH+](Cc2cccnc2)CC1 ZINC000306127656 568890512 /nfs/dbraw/zinc/89/05/12/568890512.db2.gz GEFFUPPSGPXCRC-UHFFFAOYSA-N 1 0 413.591 3.693 40 0 HHABRO O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000306128065 568891064 /nfs/dbraw/zinc/89/10/64/568891064.db2.gz GPCSSGNBNNXFOC-UHFFFAOYSA-N 1 0 419.550 3.923 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccc(OC)c4)cnc2CO3)cc1 ZINC000306141594 568903047 /nfs/dbraw/zinc/90/30/47/568903047.db2.gz WBLPOIICBYKMMA-DEOSSOPVSA-N 1 0 405.498 3.742 40 0 HHABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5cnn(C)c5)C4)nn3c2)c1 ZINC000306142228 568903788 /nfs/dbraw/zinc/90/37/88/568903788.db2.gz WUDCRDMDSMIILJ-FQEVSTJZSA-N 1 0 402.502 3.518 40 0 HHABRO O=C(NCc1ccccc1)c1ncn2c1nccc2[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000306142867 568904437 /nfs/dbraw/zinc/90/44/37/568904437.db2.gz XMVPIYACAVLHCP-HXUWFJFHSA-N 1 0 403.530 3.639 40 0 HHABRO Cc1cc(C)cc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306143836 568905238 /nfs/dbraw/zinc/90/52/38/568905238.db2.gz YNTUYJORKKYCFO-XMMPIXPASA-N 1 0 412.541 3.897 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)n1 ZINC000328977658 568970763 /nfs/dbraw/zinc/97/07/63/568970763.db2.gz FUMPZCNKJUBKGW-UHFFFAOYSA-N 1 0 413.875 3.977 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328982486 568971111 /nfs/dbraw/zinc/97/11/11/568971111.db2.gz HAQDULRGFDCIDR-UHFFFAOYSA-N 1 0 416.451 3.508 40 0 HHABRO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(NCCCO)[nH+]1 ZINC000329030782 568973792 /nfs/dbraw/zinc/97/37/92/568973792.db2.gz QGNNXVXFGWLPEL-UHFFFAOYSA-N 1 0 405.340 3.720 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccncc2)n1 ZINC000329043063 568974279 /nfs/dbraw/zinc/97/42/79/568974279.db2.gz SQPGITKYTVVJIP-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CCO[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 ZINC000028295543 569026505 /nfs/dbraw/zinc/02/65/05/569026505.db2.gz JRQXNTBMVRMIHL-VRKOAZSQSA-N 1 0 416.606 3.800 40 0 HHABRO O=C(CCc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199322 569059072 /nfs/dbraw/zinc/05/90/72/569059072.db2.gz ZRBXXIDEDYNXKB-JTKRFKOTSA-N 1 0 406.570 3.976 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000019371257 569345433 /nfs/dbraw/zinc/34/54/33/569345433.db2.gz LUHUQWDWAAADJF-XUZZJYLKSA-N 1 0 400.526 3.902 40 0 HHABRO CC(=O)N1CCC[C@H]1c1nc(C[N@H+](C)C/C(C)=C/c2ccccc2)cc(N(C)C)n1 ZINC000019709819 569348146 /nfs/dbraw/zinc/34/81/46/569348146.db2.gz PPYVVCCNIUSNBB-RRXSNJIPSA-N 1 0 407.562 3.761 40 0 HHABRO COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908579 569352119 /nfs/dbraw/zinc/35/21/19/569352119.db2.gz VOONAAFNEOAFQK-HKUYNNGSSA-N 1 0 400.494 3.630 40 0 HHABRO C[NH+](C)Cc1cccc(NC(=C2c3ccc(C(N)=O)cc3NC2=O)c2ccccc2)c1 ZINC000073096225 569385398 /nfs/dbraw/zinc/38/53/98/569385398.db2.gz FSZPIAXLCCQFCM-GHVJWSGMSA-N 1 0 412.493 3.780 40 0 in-vitro HHABRO COc1ccc(CC2=C[N@H+](C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 ZINC000020459283 571314603 /nfs/dbraw/zinc/31/46/03/571314603.db2.gz VQUIKZIRRSKCMH-HSZRJFAPSA-N 1 0 415.493 3.838 40 0 HHABRO CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(CN(C)c4ccccc4)on3)C2(C)C)CC1 ZINC000067890350 291247030 /nfs/dbraw/zinc/24/70/30/291247030.db2.gz OPWJFJFXJCBPIQ-DVECYGJZSA-N 1 0 424.589 3.869 40 0 biogenic,in-vitro HHABRO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCN(C(C)=O)CC3)C=C2C)o1 ZINC000035442697 291249638 /nfs/dbraw/zinc/24/96/38/291249638.db2.gz BVTRSKBXNZPNKK-ACRUOGEOSA-N 1 0 402.583 3.583 40 0 biogenic,in-vitro HHABRO Cn1c(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 ZINC000096269019 291257706 /nfs/dbraw/zinc/25/77/06/291257706.db2.gz FOFULUQCIYTQII-QGZVFWFLSA-N 1 0 405.420 3.872 40 0 biogenic,in-vitro HHABRO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000328963466 524862184 /nfs/dbraw/zinc/86/21/84/524862184.db2.gz BOJBMGAZEAEMHE-UHFFFAOYSA-N 1 0 410.953 3.760 40 0 HHABRO CN1CN(c2ccccc2)C2(CC[NH+](CCC[C@H]3Cc4ccccc4O3)CC2)C1=O ZINC000001664554 557279169 /nfs/dbraw/zinc/27/91/69/557279169.db2.gz MFIMWTJHRRPOPK-QFIPXVFZSA-N 1 0 405.542 3.541 40 0 HHABRO CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3)cc2Cl)CC1 ZINC000006241937 557695674 /nfs/dbraw/zinc/69/56/74/557695674.db2.gz UMYMULPGOFYQBF-UHFFFAOYSA-N 1 0 416.978 3.917 40 0 HHABRO Cc1cc(C)nc(N2CCC(CC(=O)Nc3ccccc3C[NH+]3CCCC3)CC2)n1 ZINC000019748193 558267463 /nfs/dbraw/zinc/26/74/63/558267463.db2.gz PMKTXOTYVGIPQD-UHFFFAOYSA-N 1 0 407.562 3.934 40 0 HHABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000019758973 558275438 /nfs/dbraw/zinc/27/54/38/558275438.db2.gz KOGDYUPJTUVYEP-UHFFFAOYSA-N 1 0 419.529 3.531 40 0 HHABRO Cc1cc(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)c(C)n1-c1cccnc1 ZINC000012146026 558337524 /nfs/dbraw/zinc/33/75/24/558337524.db2.gz XFWPLARCOPZWBD-UHFFFAOYSA-N 1 0 402.498 3.604 40 0 HHABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)c2c(OC)cccc12 ZINC000012185816 558345155 /nfs/dbraw/zinc/34/51/55/558345155.db2.gz ZKRPPZPWUUASJH-MRXNPFEDSA-N 1 0 409.482 3.969 40 0 HHABRO Cc1cc(-c2cnc(N3CCOCC3)nc2C2CC[NH+](Cc3ccc(C)o3)CC2)on1 ZINC000012232386 558358316 /nfs/dbraw/zinc/35/83/16/558358316.db2.gz BJJTXBKBPFYDEO-UHFFFAOYSA-N 1 0 423.517 3.558 40 0 HHABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020451512 558365716 /nfs/dbraw/zinc/36/57/16/558365716.db2.gz QZYSBXJYAWYHHH-MRXNPFEDSA-N 1 0 424.497 3.744 40 0 HHABRO CCOc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)OCO2 ZINC000012292810 558365949 /nfs/dbraw/zinc/36/59/49/558365949.db2.gz PPTSLODYQPYWSZ-UHFFFAOYSA-N 1 0 414.477 3.581 40 0 HHABRO COc1ccc(OC)c(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)c1 ZINC000012328089 558383542 /nfs/dbraw/zinc/38/35/42/558383542.db2.gz DCCCEXDVLMYERN-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO Cn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)c2ccccc21 ZINC000012329154 558383820 /nfs/dbraw/zinc/38/38/20/558383820.db2.gz QOLZAFMGBZCIHW-FCHUYYIVSA-N 1 0 410.489 3.702 40 0 HHABRO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000012365817 558388174 /nfs/dbraw/zinc/38/81/74/558388174.db2.gz HGXGWBLBQOCZFZ-OXJNMPFZSA-N 1 0 403.548 3.640 40 0 HHABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1)Nc1ccccc1 ZINC000022607418 558500947 /nfs/dbraw/zinc/50/09/47/558500947.db2.gz GUNQDXFJSBTISB-AWEZNQCLSA-N 1 0 419.272 3.653 40 0 HHABRO C[NH+](C)CCCNC(=O)CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2 ZINC000016163123 558775170 /nfs/dbraw/zinc/77/51/70/558775170.db2.gz HOSBMRBSFGXJGX-UHFFFAOYSA-N 1 0 418.994 3.836 40 0 HHABRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCCN2CCOCC2)c(OC)c1 ZINC000036741533 558802258 /nfs/dbraw/zinc/80/22/58/558802258.db2.gz QJUNHDBMSPINDY-FQEVSTJZSA-N 1 0 416.587 3.977 40 0 HHABRO O=C(CC1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019014723 558836771 /nfs/dbraw/zinc/83/67/71/558836771.db2.gz LDUOVGMYCPYIAO-GOSISDBHSA-N 1 0 412.578 3.769 40 0 HHABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)c(C)c1 ZINC000019132764 558845574 /nfs/dbraw/zinc/84/55/74/558845574.db2.gz ISQKABFSZHBAND-AVRDEDQJSA-N 1 0 409.530 3.903 40 0 HHABRO Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)CC2)cc1 ZINC000019136830 558846383 /nfs/dbraw/zinc/84/63/83/558846383.db2.gz LBRZGJNJSYYWOG-NRFANRHFSA-N 1 0 420.557 3.652 40 0 HHABRO COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CC[N@H+](Cc3cccc(C)n3)C2)cc1 ZINC000019236134 558855128 /nfs/dbraw/zinc/85/51/28/558855128.db2.gz GASCHUMLCRDZSZ-SANMLTNESA-N 1 0 415.537 3.986 40 0 HHABRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(Cn2cncn2)cc1 ZINC000019293338 558865101 /nfs/dbraw/zinc/86/51/01/558865101.db2.gz YOTXLWBRWAJHOJ-UHFFFAOYSA-N 1 0 403.530 3.632 40 0 HHABRO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC000019331014 558868221 /nfs/dbraw/zinc/86/82/21/558868221.db2.gz AFPLQWQRSWYFEB-SVGJNIJCSA-N 1 0 402.498 3.784 40 0 HHABRO O=C([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019332315 558868733 /nfs/dbraw/zinc/86/87/33/558868733.db2.gz QZEFSQAETYTBBX-YADHBBJMSA-N 1 0 419.997 3.580 40 0 HHABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019348983 558874902 /nfs/dbraw/zinc/87/49/02/558874902.db2.gz JMAYYGNIOFBQGT-SFHVURJKSA-N 1 0 406.509 3.986 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000019371250 558879253 /nfs/dbraw/zinc/87/92/53/558879253.db2.gz LUHUQWDWAAADJF-QPPBQGQZSA-N 1 0 400.526 3.902 40 0 HHABRO O=C(c1cc(C2CC[NH+](Cc3cccc4ccccc43)CC2)no1)N1CCC[C@H](O)C1 ZINC000019376367 558882340 /nfs/dbraw/zinc/88/23/40/558882340.db2.gz JHDBNEISDOQAQH-NRFANRHFSA-N 1 0 419.525 3.804 40 0 HHABRO CC(C)Oc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc1 ZINC000019450616 558889070 /nfs/dbraw/zinc/88/90/70/558889070.db2.gz GZWSPHSCEVDEAO-UHFFFAOYSA-N 1 0 404.514 3.999 40 0 HHABRO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000057992191 558893045 /nfs/dbraw/zinc/89/30/45/558893045.db2.gz XELZJZRNKWSHBN-YGHRGLEHSA-N 1 0 411.889 3.619 40 0 HHABRO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)nn1 ZINC000019500437 558898503 /nfs/dbraw/zinc/89/85/03/558898503.db2.gz LHMDXSKXVRWCRH-UNMCSNQZSA-N 1 0 413.541 3.897 40 0 HHABRO CCCN1CC[N@H+](CC2=CCCOC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503047 558900327 /nfs/dbraw/zinc/90/03/27/558900327.db2.gz GZBYXHCZHLNRRA-RUZDIDTESA-N 1 0 419.569 3.808 40 0 HHABRO CCc1c(C)nc2cc(-c3cc(C)oc3C)nn2c1N1CCC([NH+]2CCOCC2)CC1 ZINC000019521627 558902858 /nfs/dbraw/zinc/90/28/58/558902858.db2.gz YPDVODMHRHUTRU-UHFFFAOYSA-N 1 0 423.561 3.778 40 0 HHABRO CCN1CC[N@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527446 558908554 /nfs/dbraw/zinc/90/85/54/558908554.db2.gz YGYXVRBLTZORCY-XMMPIXPASA-N 1 0 414.553 3.975 40 0 HHABRO CCN1CC[N@H+](Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527447 558908589 /nfs/dbraw/zinc/90/85/89/558908589.db2.gz YGYXVRBLTZORCY-DEOSSOPVSA-N 1 0 414.553 3.975 40 0 HHABRO CC[NH+]1CCN(CCCNc2ncc(-c3ccncc3)c(-c3ccoc3C)n2)CC1 ZINC000019528196 558909271 /nfs/dbraw/zinc/90/92/71/558909271.db2.gz ICOMWIWLXVKOOH-UHFFFAOYSA-N 1 0 406.534 3.547 40 0 HHABRO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019528749 558910173 /nfs/dbraw/zinc/91/01/73/558910173.db2.gz CIEDHDASILZBFN-DEOSSOPVSA-N 1 0 404.514 3.698 40 0 HHABRO COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000019553967 558917016 /nfs/dbraw/zinc/91/70/16/558917016.db2.gz JAKOLGSQPJGUKP-ZEQRLZLVSA-N 1 0 416.525 3.730 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1OC ZINC000019560882 558921636 /nfs/dbraw/zinc/92/16/36/558921636.db2.gz NUZLGXKVIIZUQV-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1CN1CC[NH+](C)CC1 ZINC000019561057 558921959 /nfs/dbraw/zinc/92/19/59/558921959.db2.gz ADORMTFOFIIIAI-UHFFFAOYSA-N 1 0 407.543 3.513 40 0 HHABRO COc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000019563122 558923493 /nfs/dbraw/zinc/92/34/93/558923493.db2.gz NRPMOWKOMQUZTR-FCHUYYIVSA-N 1 0 408.498 3.561 40 0 HHABRO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)no2)c1 ZINC000019565616 558925531 /nfs/dbraw/zinc/92/55/31/558925531.db2.gz BSAWCETZVIQJCR-HXUWFJFHSA-N 1 0 405.498 3.993 40 0 HHABRO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019579612 558935366 /nfs/dbraw/zinc/93/53/66/558935366.db2.gz ISVYJMHVJDOTIN-XMMPIXPASA-N 1 0 404.514 3.650 40 0 HHABRO CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019580431 558936027 /nfs/dbraw/zinc/93/60/27/558936027.db2.gz RXYAHQQTPSHEMA-RUZDIDTESA-N 1 0 400.526 3.667 40 0 HHABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000019591301 558941686 /nfs/dbraw/zinc/94/16/86/558941686.db2.gz ZKIKRHFZYBAKBI-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000019591300 558941749 /nfs/dbraw/zinc/94/17/49/558941749.db2.gz ZKIKRHFZYBAKBI-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000072345943 558942425 /nfs/dbraw/zinc/94/24/25/558942425.db2.gz MQZSXQHLXKXXQN-GOSISDBHSA-N 1 0 421.932 3.858 40 0 HHABRO CNc1cc(C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)nc(-c2cccnc2)n1 ZINC000019592231 558943142 /nfs/dbraw/zinc/94/31/42/558943142.db2.gz IRHQZMGXNMCXRR-UHFFFAOYSA-N 1 0 419.529 3.977 40 0 HHABRO COCCC[N@H+](Cc1c(-c2ccc(F)cc2)nc2ncccn12)Cc1ccccn1 ZINC000019593271 558944305 /nfs/dbraw/zinc/94/43/05/558944305.db2.gz WOYZBWMHHYEDJY-UHFFFAOYSA-N 1 0 405.477 3.969 40 0 HHABRO O=C(c1cc([C@H]2C[N@H+](CC3CCCCC3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352689 558949339 /nfs/dbraw/zinc/94/93/39/558949339.db2.gz YMKVSWPKJBKKAS-XMMPIXPASA-N 1 0 423.557 3.661 40 0 HHABRO COc1ccc(CC(=O)N2CC[N@@H+](C3CCCC3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072355163 558952570 /nfs/dbraw/zinc/95/25/70/558952570.db2.gz GMXFEVCUPCEVRX-NRFANRHFSA-N 1 0 407.558 3.578 40 0 HHABRO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693997 558962110 /nfs/dbraw/zinc/96/21/10/558962110.db2.gz ODOICZYKAFXCKB-GOSISDBHSA-N 1 0 410.953 3.976 40 0 HHABRO Cc1c(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019694084 558962310 /nfs/dbraw/zinc/96/23/10/558962310.db2.gz UHAMWWCZQGUENH-SFHVURJKSA-N 1 0 408.525 3.770 40 0 HHABRO O=C(Nc1ccc([C@@H]2CCc3nncn3C2)cc1)c1ccccc1C[NH+]1CCCC1 ZINC000019699153 558966583 /nfs/dbraw/zinc/96/65/83/558966583.db2.gz AZVFNWQYCNVXOM-LJQANCHMSA-N 1 0 401.514 3.856 40 0 HHABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2cc(F)ccc21 ZINC000019708783 558971235 /nfs/dbraw/zinc/97/12/35/558971235.db2.gz KJAYKZXWHGEDEH-QHCPKHFHSA-N 1 0 422.504 3.522 40 0 HHABRO CCOc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)O[C@H](C)C2 ZINC000072392544 558972236 /nfs/dbraw/zinc/97/22/36/558972236.db2.gz RTGNYWGUDRVXII-GQKWOBABSA-N 1 0 408.542 3.842 40 0 HHABRO Cc1nn(C)c2nc(C)cc(C(=O)N[C@H](CC[NH+]3CCCCC3)c3ccccc3)c12 ZINC000019716110 558977767 /nfs/dbraw/zinc/97/77/67/558977767.db2.gz GPLAOVDHPHZMNL-OAQYLSRUSA-N 1 0 405.546 3.932 40 0 HHABRO Cc1cc(C)n(Cc2cc(C(=O)NCC3([NH+](C)C)CCCC3)c3ccccc3n2)n1 ZINC000019716421 558978317 /nfs/dbraw/zinc/97/83/17/558978317.db2.gz ICLWNBAFLVHBFX-UHFFFAOYSA-N 1 0 405.546 3.701 40 0 HHABRO CCn1nc([C@@H](C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c2ccccc2c1=O ZINC000019716948 558979255 /nfs/dbraw/zinc/97/92/55/558979255.db2.gz TVXRRODGQYNQHJ-LJQANCHMSA-N 1 0 424.589 3.825 40 0 HHABRO COCCNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053368 559093272 /nfs/dbraw/zinc/09/32/72/559093272.db2.gz OTHXISAPZWYYDT-IBGZPJMESA-N 1 0 414.571 3.802 40 0 HHABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1 ZINC000096154908 559099291 /nfs/dbraw/zinc/09/92/91/559099291.db2.gz KWGWLMYBZYBOHV-UHFFFAOYSA-N 1 0 413.525 3.629 40 0 HHABRO O=C(CCc1cccnc1)N1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000096245508 559105031 /nfs/dbraw/zinc/10/50/31/559105031.db2.gz PDXXZHKPHCAMDN-KDURUIRLSA-N 1 0 403.448 3.623 40 0 HHABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585287871 559123142 /nfs/dbraw/zinc/12/31/42/559123142.db2.gz UELUQDVYKZBEHR-HWBMXIPRSA-N 1 0 416.606 3.874 40 0 HHABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)C=Cc3c[nH]cn3)C2)[nH+]1 ZINC000585291041 559123502 /nfs/dbraw/zinc/12/35/02/559123502.db2.gz IFLGSKQTNLBICQ-LKGOPFMKSA-N 1 0 402.502 3.980 40 0 HHABRO O[C@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCCn3ccnc3)c2)C1 ZINC000257330240 559283374 /nfs/dbraw/zinc/28/33/74/559283374.db2.gz XNNNVGPQJMPUQA-RUZDIDTESA-N 1 0 421.541 3.758 40 0 HHABRO COc1cccc(-c2cccc(CC3(C(=O)N[C@H]4CCC[N@H+](C)C4)CCOCC3)c2)c1 ZINC000257252096 559284586 /nfs/dbraw/zinc/28/45/86/559284586.db2.gz JTOBWSBVOUIJRU-QHCPKHFHSA-N 1 0 422.569 3.912 40 0 HHABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000006045222 560739407 /nfs/dbraw/zinc/73/94/07/560739407.db2.gz VAFYYGBEHRKECT-UHFFFAOYSA-N 1 0 411.527 3.571 40 0 HHABRO C[C@@H](CC[NH+](C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118924591 560870129 /nfs/dbraw/zinc/87/01/29/560870129.db2.gz HBDQZJAFAVGPSS-LHFWOOBCSA-N 1 0 407.639 3.536 40 0 HHABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022074842 568474014 /nfs/dbraw/zinc/47/40/14/568474014.db2.gz SLQYENGNVVFFBW-CQSZACIVSA-N 1 0 413.345 3.641 40 0 HHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+][C@H](C)[C@@H](O)c3ccccc3)o2)c1 ZINC000022108581 568475420 /nfs/dbraw/zinc/47/54/20/568475420.db2.gz WVEWBMQVSGHADS-IVZQSRNASA-N 1 0 423.465 3.732 40 0 HHABRO COc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(C)cc4)CC3)n2)c1 ZINC000219408587 568491354 /nfs/dbraw/zinc/49/13/54/568491354.db2.gz ROTVKQXQZQEXPD-UHFFFAOYSA-N 1 0 420.513 3.582 40 0 HHABRO COc1ccc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)c2c(OC)cccc12 ZINC000022931479 568500860 /nfs/dbraw/zinc/50/08/60/568500860.db2.gz SLBBTVHEMQASAB-UHFFFAOYSA-N 1 0 421.541 3.586 40 0 HHABRO O=C(NCc1nc(-c2cccs2)no1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222596396 568519781 /nfs/dbraw/zinc/51/97/81/568519781.db2.gz JQMKVCSFPPIZPV-OAHLLOKOSA-N 1 0 416.934 3.980 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000223238115 568542227 /nfs/dbraw/zinc/54/22/27/568542227.db2.gz MOHFRMLVHMXSQK-FGZHOGPDSA-N 1 0 421.570 3.502 40 0 HHABRO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223277350 568543850 /nfs/dbraw/zinc/54/38/50/568543850.db2.gz XGZVYPFWXQSRDY-YADHBBJMSA-N 1 0 405.571 3.715 40 0 HHABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1cccnc1 ZINC000223451753 568549282 /nfs/dbraw/zinc/54/92/82/568549282.db2.gz NVPYJXZLAZMMIT-VXKWHMMOSA-N 1 0 412.522 3.835 40 0 HHABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccncc1 ZINC000223487496 568550254 /nfs/dbraw/zinc/55/02/54/568550254.db2.gz NAKSDBNTCUZNMP-YADHBBJMSA-N 1 0 412.522 3.835 40 0 HHABRO O=C(NCC1(c2ccccc2)CCOCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224359102 568579133 /nfs/dbraw/zinc/57/91/33/568579133.db2.gz FENNJDISGMKULZ-UHFFFAOYSA-N 1 0 410.533 3.902 40 0 HHABRO COc1cccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000224534904 568583968 /nfs/dbraw/zinc/58/39/68/568583968.db2.gz ADVNGNXKAIRHLF-UHFFFAOYSA-N 1 0 402.922 3.756 40 0 HHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1I ZINC000224592716 568586923 /nfs/dbraw/zinc/58/69/23/568586923.db2.gz ROOJXTHVZPNIFF-UHFFFAOYSA-N 1 0 420.294 3.817 40 0 HHABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)c1C ZINC000224852765 568600452 /nfs/dbraw/zinc/60/04/52/568600452.db2.gz RNDSDKDDRXJMSV-UHFFFAOYSA-N 1 0 402.560 3.776 40 0 HHABRO COc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224853073 568600495 /nfs/dbraw/zinc/60/04/95/568600495.db2.gz PIYHZISDBQTOQY-UHFFFAOYSA-N 1 0 408.951 3.813 40 0 HHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)cc1I ZINC000225025673 568609803 /nfs/dbraw/zinc/60/98/03/568609803.db2.gz QUXMOXBMULDLNN-OAHLLOKOSA-N 1 0 414.331 3.984 40 0 HHABRO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225278280 568627492 /nfs/dbraw/zinc/62/74/92/568627492.db2.gz RSQTYRNRDQDHSS-QZTJIDSGSA-N 1 0 400.906 3.508 40 0 HHABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 ZINC000225571699 568652418 /nfs/dbraw/zinc/65/24/18/568652418.db2.gz WBSHYNWLPNXDPK-UHFFFAOYSA-N 1 0 400.494 3.843 40 0 HHABRO c1cn2cc(C[C@H]3COCC[N@H+](Cc4ccccc4OC4CCCC4)C3)ncc2n1 ZINC000257207957 568778352 /nfs/dbraw/zinc/77/83/52/568778352.db2.gz BKBOKDKDTGILFO-LJQANCHMSA-N 1 0 406.530 3.742 40 0 HHABRO COc1ncccc1C(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2C ZINC000257212932 568779726 /nfs/dbraw/zinc/77/97/26/568779726.db2.gz CFMKZXRQICZJLX-HNTODFAGSA-N 1 0 405.542 3.789 40 0 HHABRO CN(C)C(=O)c1sc2nc([C@@]3(C)CCC[N@H+](Cc4cccnc4)C3)ccc2c1N ZINC000257234696 568786197 /nfs/dbraw/zinc/78/61/97/568786197.db2.gz GUSPZEZXXLHDFK-QFIPXVFZSA-N 1 0 409.559 3.529 40 0 HHABRO Cc1noc(C)c1CC(=O)N1CC[C@H](c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)C1 ZINC000257235328 568786277 /nfs/dbraw/zinc/78/62/77/568786277.db2.gz GXISRDRMOBWZMO-INIZCTEOSA-N 1 0 409.465 3.831 40 0 HHABRO 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 568799227 /nfs/dbraw/zinc/79/92/27/568799227.db2.gz ORILATLXSAXKJO-CAIUVPPLSA-N 1 0 420.601 3.975 40 0 HHABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1n[nH]c2ccccc21 ZINC000257296950 568803617 /nfs/dbraw/zinc/80/36/17/568803617.db2.gz RFDKSDYLWLCHJC-YLYPHGCXSA-N 1 0 400.526 3.919 40 0 HHABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000257305151 568806035 /nfs/dbraw/zinc/80/60/35/568806035.db2.gz SOQWWFOJSNLJBU-DEOSSOPVSA-N 1 0 409.505 3.796 40 0 HHABRO COc1cc2c(cc1C[NH+]1CCC(c3cncc(Nc4ncccn4)n3)CC1)CCC2 ZINC000257311938 568807707 /nfs/dbraw/zinc/80/77/07/568807707.db2.gz ULRPDTDVBYEODJ-UHFFFAOYSA-N 1 0 416.529 3.887 40 0 HHABRO C[C@]1(O)CN(CC(=O)Nc2cccc3c2CCCC3)CC[C@@H]1Oc1cccc(F)c1 ZINC000257312305 568807958 /nfs/dbraw/zinc/80/79/58/568807958.db2.gz UNHZCIJESKXDKO-UPVQGACJSA-N 1 0 412.505 3.547 40 0 HHABRO CC(=O)N1CCN(C(=O)c2ccccc2C[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000257324638 568811813 /nfs/dbraw/zinc/81/18/13/568811813.db2.gz WPOOCXOIZKIJPP-XMMPIXPASA-N 1 0 405.542 3.718 40 0 HHABRO CC(C)n1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 ZINC000306126133 568888791 /nfs/dbraw/zinc/88/87/91/568888791.db2.gz DOAAEQCEJFVTAA-OAQYLSRUSA-N 1 0 401.518 3.948 40 0 HHABRO O=C(Cc1cccs1)N1C[C@@H]2O[C@@H](C[C@@]23CCC[N@H+](Cc2cccs2)C3)C1 ZINC000306129706 568892290 /nfs/dbraw/zinc/89/22/90/568892290.db2.gz IKONXWKYZKQVIB-NBHGPNQESA-N 1 0 402.585 3.634 40 0 HHABRO COc1ncccc1C[N@@H+]1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306131514 568893627 /nfs/dbraw/zinc/89/36/27/568893627.db2.gz KHFBAYRNLYXHHV-IBGZPJMESA-N 1 0 400.486 3.575 40 0 HHABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306131327 568893766 /nfs/dbraw/zinc/89/37/66/568893766.db2.gz KCAHHJJLPOIXNZ-UPVQGACJSA-N 1 0 419.550 3.540 40 0 HHABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 ZINC000306131956 568894275 /nfs/dbraw/zinc/89/42/75/568894275.db2.gz KTWFECDFTPNGDY-OALUTQOASA-N 1 0 403.482 3.592 40 0 HHABRO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23C[N@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139184 568900944 /nfs/dbraw/zinc/90/09/44/568900944.db2.gz SRMVJUOZJKXZBS-YCYVKTGYSA-N 1 0 412.578 3.521 40 0 HHABRO O=C(NCc1ccccc1)c1ncn2c1nccc2[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000306142866 568904427 /nfs/dbraw/zinc/90/44/27/568904427.db2.gz XMVPIYACAVLHCP-FQEVSTJZSA-N 1 0 403.530 3.639 40 0 HHABRO COc1cccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306143901 568905074 /nfs/dbraw/zinc/90/50/74/568905074.db2.gz YQCVWYAJPQQNCV-WIOPSUGQSA-N 1 0 422.573 3.701 40 0 HHABRO COc1cccc(C[NH+]2CCC(n3cnc4ncc(-c5ccc(F)nc5)nc43)CC2)c1 ZINC000306143675 568905212 /nfs/dbraw/zinc/90/52/12/568905212.db2.gz YINNAAPXKSRNPG-UHFFFAOYSA-N 1 0 418.476 3.873 40 0 HHABRO [NH3+]C[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218240739 568928699 /nfs/dbraw/zinc/92/86/99/568928699.db2.gz SXWKMLYESVXEBA-HRCADAONSA-N 1 0 400.725 3.617 40 0 HHABRO Cc1ccc(Cl)c(C)c1Nc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000329004788 568972141 /nfs/dbraw/zinc/97/21/41/568972141.db2.gz KTOOECHOWXDTRS-UHFFFAOYSA-N 1 0 410.953 3.760 40 0 HHABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329040320 568974150 /nfs/dbraw/zinc/97/41/50/568974150.db2.gz SDIOMAWXYVJPIF-GOSISDBHSA-N 1 0 419.367 3.793 40 0 HHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000226262242 569278614 /nfs/dbraw/zinc/27/86/14/569278614.db2.gz ZJFRZNZHXZBOQN-UHFFFAOYSA-N 1 0 423.344 3.978 40 0 HHABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000248156375 569316465 /nfs/dbraw/zinc/31/64/65/569316465.db2.gz VVOUDYGERREZBV-AZUAARDMSA-N 1 0 418.541 3.556 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000012157783 569344656 /nfs/dbraw/zinc/34/46/56/569344656.db2.gz NEVQXBZFGBLFPC-WIYYLYMNSA-N 1 0 422.554 3.930 40 0 HHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC1)O2 ZINC000019219269 569345261 /nfs/dbraw/zinc/34/52/61/569345261.db2.gz MQIIQCGDWOTLOZ-YHYVQYDKSA-N 1 0 409.526 3.703 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000019560935 569345615 /nfs/dbraw/zinc/34/56/15/569345615.db2.gz RTJVJMQQJWTSBM-GBXCKJPGSA-N 1 0 423.557 3.968 40 0 HHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000019690458 569428416 /nfs/dbraw/zinc/42/84/16/569428416.db2.gz CKLPYLHFSIQRKL-NRFANRHFSA-N 1 0 401.514 3.646 40 0 HHABRO 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 291249643 /nfs/dbraw/zinc/24/96/43/291249643.db2.gz LZLLDTMZEXELJT-TUFLPTIASA-N 1 0 402.583 3.630 40 0 biogenic,in-vitro HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000036719516 524029301 /nfs/dbraw/zinc/02/93/01/524029301.db2.gz XNXDUYBJVOOIQD-PXNSSMCTSA-N 1 0 415.559 3.640 40 0 HHABRO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+](C4CCN(C(C)=O)CC4)C3)n2)c1 ZINC000072350209 526084206 /nfs/dbraw/zinc/08/42/06/526084206.db2.gz WJWKDPOATCPOEC-NRFANRHFSA-N 1 0 407.558 3.871 40 0 HHABRO Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c12 ZINC000000880611 557109359 /nfs/dbraw/zinc/10/93/59/557109359.db2.gz DGUYURPHORSDQV-UHFFFAOYSA-N 1 0 412.534 3.736 40 0 HHABRO O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(NCC[NH2+]CCO)ccc21 ZINC000003818225 557498857 /nfs/dbraw/zinc/49/88/57/557498857.db2.gz FQMZXMVHHKXGTM-UHFFFAOYSA-N 1 0 422.573 3.774 40 0 in-vitro HHABRO CCCCNC(=O)[C@@H]1C[C@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2[N@H+](C)C1 ZINC000005179328 557638870 /nfs/dbraw/zinc/63/88/70/557638870.db2.gz LTNOUVDGXDBIHL-IFIJOSMWSA-N 1 0 404.352 3.807 40 0 HHABRO CCCCCCOCCOCC[NH+](CCO)CCOCCOCCCCCC ZINC000005418128 557652625 /nfs/dbraw/zinc/65/26/25/557652625.db2.gz HDIZUYDWDGPRFH-UHFFFAOYSA-N 1 0 405.620 3.508 40 0 HHABRO COc1cc(Br)c(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000005722513 557670705 /nfs/dbraw/zinc/67/07/05/557670705.db2.gz QKHZFXGDKKIIJA-INIZCTEOSA-N 1 0 422.319 3.913 40 0 HHABRO O=C(COc1ccc(Br)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007923766 557767758 /nfs/dbraw/zinc/76/77/58/557767758.db2.gz VLTPEUQRCDMOKP-UHFFFAOYSA-N 1 0 403.320 3.740 40 0 HHABRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010334685 557861138 /nfs/dbraw/zinc/86/11/38/557861138.db2.gz FWVUVLMZWUYIHU-UHFFFAOYSA-N 1 0 415.559 3.565 40 0 HHABRO Cc1nc(C2CC[NH+](Cc3ccncc3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019752942 558272170 /nfs/dbraw/zinc/27/21/70/558272170.db2.gz VDHQTWUHMSFDER-UHFFFAOYSA-N 1 0 414.557 3.907 40 0 HHABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000012131762 558332936 /nfs/dbraw/zinc/33/29/36/558332936.db2.gz PASOMSLWCUNAGA-HKUYNNGSSA-N 1 0 418.541 3.625 40 0 HHABRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182855 558343602 /nfs/dbraw/zinc/34/36/02/558343602.db2.gz LHZUQDZNUSSQCI-QGWWYQLQSA-N 1 0 402.539 3.507 40 0 HHABRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](C)O ZINC000012185788 558345161 /nfs/dbraw/zinc/34/51/61/558345161.db2.gz XHABJUQWILDQGN-KRWDZBQOSA-N 1 0 407.514 3.909 40 0 HHABRO COc1ccc(OCCC[NH2+]Cc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000012186474 558345761 /nfs/dbraw/zinc/34/57/61/558345761.db2.gz SCOORQGWBRPXEF-UHFFFAOYSA-N 1 0 418.497 3.590 40 0 HHABRO COc1ccccc1C1(O)CC[NH+](Cc2c(C)n(CCCO)c3ccccc32)CC1 ZINC000012328797 558383790 /nfs/dbraw/zinc/38/37/90/558383790.db2.gz GFPPUXBEPZINJQ-UHFFFAOYSA-N 1 0 408.542 3.824 40 0 HHABRO Cn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)c2ccccc21 ZINC000012329150 558383838 /nfs/dbraw/zinc/38/38/38/558383838.db2.gz QOLZAFMGBZCIHW-VXKWHMMOSA-N 1 0 410.489 3.702 40 0 HHABRO Cc1[nH]c2ccc(F)cc2c1[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000012329204 558384026 /nfs/dbraw/zinc/38/40/26/558384026.db2.gz SFQVDQSCFWJEJT-SFTDATJTSA-N 1 0 410.489 4.000 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCC4)CC1)C[C@@H]2O ZINC000012330162 558385134 /nfs/dbraw/zinc/38/51/34/558385134.db2.gz SIHJWSCPLWQSJJ-GOTSBHOMSA-N 1 0 409.526 3.568 40 0 HHABRO COc1nc(-c2ccccc2)nc(C)c1CC(=O)N1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000012360868 558386877 /nfs/dbraw/zinc/38/68/77/558386877.db2.gz RAXGUZOXOLGOEF-NRFANRHFSA-N 1 0 422.573 3.870 40 0 HHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3ccccc3F)C1)O2 ZINC000012407700 558398684 /nfs/dbraw/zinc/39/86/84/558398684.db2.gz CVVADQOJEXTCJE-CYFREDJKSA-N 1 0 412.505 3.856 40 0 HHABRO CCOc1cc(C[NH2+]CCc2ccccc2F)ccc1OCC(=O)NC(C)(C)C ZINC000022074588 558462452 /nfs/dbraw/zinc/46/24/52/558462452.db2.gz VFLBQIIWZUXYSK-UHFFFAOYSA-N 1 0 402.510 3.850 40 0 HHABRO CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCc3ccncc3)cc12 ZINC000036740454 558801649 /nfs/dbraw/zinc/80/16/49/558801649.db2.gz GIUHMZYNOMJVJT-UHFFFAOYSA-N 1 0 419.504 3.878 40 0 HHABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1ccc(OC)c(OC)c1)CCCC3 ZINC000045506743 558837209 /nfs/dbraw/zinc/83/72/09/558837209.db2.gz AAEYHJGXSUBKQJ-FQEVSTJZSA-N 1 0 423.513 3.954 40 0 HHABRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(C)=O)c1OC ZINC000019019520 558837546 /nfs/dbraw/zinc/83/75/46/558837546.db2.gz SFHDIIFWAGTQTD-UFYCRDLUSA-N 1 0 400.544 3.602 40 0 HHABRO Cc1ccc(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C23CCCCC3)c(=O)n1C ZINC000019131557 558845528 /nfs/dbraw/zinc/84/55/28/558845528.db2.gz VMZYEXNXNJASOJ-GGAORHGYSA-N 1 0 419.569 3.601 40 0 HHABRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)cc3F)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285505 558859961 /nfs/dbraw/zinc/85/99/61/558859961.db2.gz WCCIQRNOIODYRN-LEWJYISDSA-N 1 0 423.488 3.618 40 0 HHABRO Fc1ccc(OCCC[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019335922 558869956 /nfs/dbraw/zinc/86/99/56/558869956.db2.gz GRRPBXOXJTZVDN-FHLIZLRMSA-N 1 0 409.456 3.589 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000019400545 558883148 /nfs/dbraw/zinc/88/31/48/558883148.db2.gz DWHQBTCVRJYDIW-VOQZNFBZSA-N 1 0 415.484 3.608 40 0 HHABRO CC(C)c1nc2ccccc2n1C[C@@H](C)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000019453873 558891290 /nfs/dbraw/zinc/89/12/90/558891290.db2.gz RFAHZRFTJRQJRH-LJQANCHMSA-N 1 0 419.573 3.972 40 0 HHABRO C[C@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019496537 558895550 /nfs/dbraw/zinc/89/55/50/558895550.db2.gz UMOVQTQKNZSTDD-KRWDZBQOSA-N 1 0 403.530 3.932 40 0 HHABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](c2csnn2)C1 ZINC000019500959 558898877 /nfs/dbraw/zinc/89/88/77/558898877.db2.gz UOHNIWRUFCGOHJ-YZGWKJHDSA-N 1 0 414.575 3.521 40 0 HHABRO CCSc1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019520528 558901412 /nfs/dbraw/zinc/90/14/12/558901412.db2.gz CRQJZXOECVRVBO-HNNXBMFYSA-N 1 0 413.572 3.780 40 0 HHABRO CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)c2N1 ZINC000019520889 558902277 /nfs/dbraw/zinc/90/22/77/558902277.db2.gz UAHZEJQIMRAUAJ-SZMVWBNQSA-N 1 0 423.483 3.922 40 0 HHABRO C=Cn1ncc(C[NH+]2CCC(c3cc4nc(N(CC)CC)ncc4c(=O)[nH]3)CC2)c1C ZINC000019526562 558907956 /nfs/dbraw/zinc/90/79/56/558907956.db2.gz NITSJXMHKWNYQU-UHFFFAOYSA-N 1 0 421.549 3.562 40 0 HHABRO CCN1CC[N@H+](Cc2ccccn2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527448 558908796 /nfs/dbraw/zinc/90/87/96/558908796.db2.gz RGBJALRINFTFRA-HSZRJFAPSA-N 1 0 400.526 3.667 40 0 HHABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccncc2)C1 ZINC000019529184 558910830 /nfs/dbraw/zinc/91/08/30/558910830.db2.gz BDPUQGFWWMDDQZ-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530033 558911275 /nfs/dbraw/zinc/91/12/75/558911275.db2.gz ZBQHRWZVSMTWRZ-GAJHUEQPSA-N 1 0 416.493 3.705 40 0 HHABRO Cc1sc2ncn(CC3(O)CC[NH+](C[C@@H](C)c4ccccc4)CC3)c(=O)c2c1C ZINC000019561492 558922111 /nfs/dbraw/zinc/92/21/11/558922111.db2.gz LOLSJKOMTJJWEB-MRXNPFEDSA-N 1 0 411.571 3.705 40 0 HHABRO Cc1cc(C[N@H+]2CCC[C@H](Cn3nnc4c3nc(C(C)C)[nH]c4=O)C2)c(C)s1 ZINC000019567967 558926995 /nfs/dbraw/zinc/92/69/95/558926995.db2.gz GXMPAHLXAHDGOW-HNNXBMFYSA-N 1 0 400.552 3.641 40 0 HHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019591333 558941613 /nfs/dbraw/zinc/94/16/13/558941613.db2.gz AYXOPBYWRLFALI-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346207 558943049 /nfs/dbraw/zinc/94/30/49/558943049.db2.gz ZSSNITNTBIKMEI-QGZVFWFLSA-N 1 0 413.953 3.570 40 0 HHABRO C[NH+](C)CC(=O)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072350130 558947088 /nfs/dbraw/zinc/94/70/88/558947088.db2.gz FCRGTJZFXJAFCV-UHFFFAOYSA-N 1 0 405.464 3.959 40 0 HHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000019690422 558959864 /nfs/dbraw/zinc/95/98/64/558959864.db2.gz XGGFPANHQXMCFT-NRFANRHFSA-N 1 0 419.504 3.785 40 0 HHABRO Cc1cnc(CCNC(=O)c2ccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)nc2)s1 ZINC000072374393 558961849 /nfs/dbraw/zinc/96/18/49/558961849.db2.gz ZSNAIHGDKKAZMU-IBGZPJMESA-N 1 0 421.570 3.594 40 0 HHABRO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCC[N@@H+]2Cc2cn(C)nc2C)cc1 ZINC000019694314 558962618 /nfs/dbraw/zinc/96/26/18/558962618.db2.gz GYXBQYSIPAMSTK-JOCHJYFZSA-N 1 0 420.561 3.987 40 0 HHABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(CC(=O)Nc3ccccc3F)C2)[nH+]1 ZINC000072374872 558962986 /nfs/dbraw/zinc/96/29/86/558962986.db2.gz ZWQMHRTWYRHJDX-KRWDZBQOSA-N 1 0 420.492 3.881 40 0 HHABRO CN(C)c1ncc(-c2ccc(N)nc2)c(C2CC[NH+](CCCc3ccccc3)CC2)n1 ZINC000019694814 558963383 /nfs/dbraw/zinc/96/33/83/558963383.db2.gz XAXWOYCNGLMCSA-UHFFFAOYSA-N 1 0 416.573 3.999 40 0 HHABRO Cc1noc(CCC(=O)N2CCC[C@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)n1 ZINC000072375060 558963419 /nfs/dbraw/zinc/96/34/19/558963419.db2.gz KCONFNHNCJOFQO-KRWDZBQOSA-N 1 0 406.490 3.559 40 0 HHABRO Cc1c(C[NH+]2CCC([C@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cnn1C ZINC000019698501 558966202 /nfs/dbraw/zinc/96/62/02/558966202.db2.gz WQMJQXWIMVXOLN-HSZRJFAPSA-N 1 0 410.537 3.685 40 0 HHABRO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3cncs3)CC2)nc2ccccn12 ZINC000585100717 559024253 /nfs/dbraw/zinc/02/42/53/559024253.db2.gz UQQVPSOYVWBWKV-QFIPXVFZSA-N 1 0 409.559 3.647 40 0 HHABRO CC(C)n1cc(C[N@@H+]2CCC[C@@]3(C[C@@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102401 559026113 /nfs/dbraw/zinc/02/61/13/559026113.db2.gz HFWWMCABYRSAPF-FYYLOGMGSA-N 1 0 412.534 3.514 40 0 HHABRO O=C(c1cccc(F)c1)N1CCC2(C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000585113484 559031168 /nfs/dbraw/zinc/03/11/68/559031168.db2.gz PWLNZIVGQVVMQX-RUZDIDTESA-N 1 0 408.517 3.971 40 0 HHABRO Cc1cccc2[nH]c(C(=O)N3CCC[C@@](O)(C[NH+]4CCC(F)(F)CC4)CC3)cc21 ZINC000585183666 559070457 /nfs/dbraw/zinc/07/04/57/559070457.db2.gz OFXMQRWZOKGPNX-NRFANRHFSA-N 1 0 405.489 3.565 40 0 HHABRO C[NH+](C)CCCNC(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn32)n1 ZINC000096038132 559091822 /nfs/dbraw/zinc/09/18/22/559091822.db2.gz NDCJAMQYCPDPIH-UHFFFAOYSA-N 1 0 405.477 3.613 40 0 HHABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056076 559093994 /nfs/dbraw/zinc/09/39/94/559093994.db2.gz JLDGRCDPEDKWOU-REWPJTCUSA-N 1 0 413.587 3.729 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 ZINC000096215611 559101779 /nfs/dbraw/zinc/10/17/79/559101779.db2.gz HRZDHQNJUVTHHY-QFIPXVFZSA-N 1 0 418.534 3.511 40 0 HHABRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2cccc(F)c2)C1 ZINC000585260805 559108606 /nfs/dbraw/zinc/10/86/06/559108606.db2.gz FMLYSSVKXXBLRF-NHCUHLMSSA-N 1 0 400.494 3.808 40 0 HHABRO C[C@@H]1CC[C@@H]2[C@@H](O1)c1ccc(C(=O)NCCC[NH+]3CCCC3)c(O)c1OC2(C)C ZINC000585267254 559112639 /nfs/dbraw/zinc/11/26/39/559112639.db2.gz PYXUITNSGWBQTK-ZTNFWEORSA-N 1 0 402.535 3.635 40 0 HHABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272758 559118200 /nfs/dbraw/zinc/11/82/00/559118200.db2.gz JKSRWOZUZCFRTH-XMMPIXPASA-N 1 0 414.521 3.700 40 0 HHABRO O[C@H]1CC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585283725 559120801 /nfs/dbraw/zinc/12/08/01/559120801.db2.gz UCEBZETVXCAHCH-BTDFZRAWSA-N 1 0 417.496 3.868 40 0 HHABRO Cc1cc(OC[C@]2(O)COCC[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287335 559122034 /nfs/dbraw/zinc/12/20/34/559122034.db2.gz MSFKBYQEZUCRIS-VEXUSMLFSA-N 1 0 423.569 3.544 40 0 HHABRO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000017082252 559122609 /nfs/dbraw/zinc/12/26/09/559122609.db2.gz NZTGNSVSLLDOKS-LJQANCHMSA-N 1 0 401.514 3.527 40 0 HHABRO Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)c2)n1 ZINC000585292134 559124589 /nfs/dbraw/zinc/12/45/89/559124589.db2.gz WVWFNWWFSGWKGF-XTXLJPNXSA-N 1 0 416.529 3.990 40 0 HHABRO COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000006613134 559212659 /nfs/dbraw/zinc/21/26/59/559212659.db2.gz XRSWPMAPLYGADQ-UHFFFAOYSA-N 1 0 418.335 3.770 40 0 HHABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@H]2c2ccccc2)cc1 ZINC000409055162 560671455 /nfs/dbraw/zinc/67/14/55/560671455.db2.gz KDPCTNNYQDGMRC-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1cc2cc(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2cc1C ZINC000012709913 560786307 /nfs/dbraw/zinc/78/63/07/560786307.db2.gz ADCHHWLREUAKDF-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO CCOC(=O)c1cnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1C ZINC000014607451 560846977 /nfs/dbraw/zinc/84/69/77/560846977.db2.gz WIDUJCDUSHEGPE-UHFFFAOYSA-N 1 0 416.525 3.873 40 0 HHABRO Cc1ncn(C23C[C@@H]4C[C@@H](CC(C(=O)NC[C@@H](c5ccc(C)cc5)[NH+](C)C)(C4)C2)C3)n1 ZINC000019136421 560871940 /nfs/dbraw/zinc/87/19/40/560871940.db2.gz FQBFIQUSOKGVOO-QQASBRCQSA-N 1 0 421.589 3.610 40 0 HHABRO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3nnnn3C3CCCC3)CC2)cc1 ZINC000019369525 560872823 /nfs/dbraw/zinc/87/28/23/560872823.db2.gz DMRMUHYCIYWJAU-UHFFFAOYSA-N 1 0 402.546 3.695 40 0 HHABRO CCCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000020141136 560881599 /nfs/dbraw/zinc/88/15/99/560881599.db2.gz KMCLURODZPNEOA-NRFANRHFSA-N 1 0 400.546 3.652 40 0 HHABRO Cn1nc(-c2ccco2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 ZINC000008635416 565098623 /nfs/dbraw/zinc/09/86/23/565098623.db2.gz GUFDAJWNAJWBJV-UHOSZYNNSA-N 1 0 405.502 3.680 40 0 biogenic,in-vitro HHABRO COc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OCc1c(Cl)cccc1Cl ZINC000022074832 568473963 /nfs/dbraw/zinc/47/39/63/568473963.db2.gz BJWHIXLBKIPVBD-AWEZNQCLSA-N 1 0 413.345 3.641 40 0 HHABRO CCOc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022075676 568474017 /nfs/dbraw/zinc/47/40/17/568474017.db2.gz BLECLZNDXLFNGZ-HNNXBMFYSA-N 1 0 410.917 3.517 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000223248249 568542514 /nfs/dbraw/zinc/54/25/14/568542514.db2.gz BWRLCRXHOYPSKG-VXKWHMMOSA-N 1 0 405.571 3.797 40 0 HHABRO Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223277076 568543741 /nfs/dbraw/zinc/54/37/41/568543741.db2.gz ZSXXYERVFWUJHH-FGZHOGPDSA-N 1 0 405.571 3.715 40 0 HHABRO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223277295 568543845 /nfs/dbraw/zinc/54/38/45/568543845.db2.gz XGZVYPFWXQSRDY-FGZHOGPDSA-N 1 0 405.571 3.715 40 0 HHABRO O=S(=O)(Cc1cccc(Br)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515995 568583358 /nfs/dbraw/zinc/58/33/58/568583358.db2.gz RTIAAXNHJBHFOB-UHFFFAOYSA-N 1 0 423.376 3.665 40 0 HHABRO Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(I)c1 ZINC000225025455 568609799 /nfs/dbraw/zinc/60/97/99/568609799.db2.gz ZHBSZTCPZJRVID-GASCZTMLSA-N 1 0 414.331 3.697 40 0 HHABRO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000225269520 568627026 /nfs/dbraw/zinc/62/70/26/568627026.db2.gz JZHSORIFZQAUFC-IBGZPJMESA-N 1 0 400.906 3.508 40 0 HHABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 ZINC000225576902 568653356 /nfs/dbraw/zinc/65/33/56/568653356.db2.gz KCFITZVXXNPHTH-UHFFFAOYSA-N 1 0 402.922 3.967 40 0 HHABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C[NH3+])c2ccc(OCc3ccccc3)cc2)C1 ZINC000255963623 568774096 /nfs/dbraw/zinc/77/40/96/568774096.db2.gz AYJXZURDIOKQON-IFMALSPDSA-N 1 0 411.546 3.864 40 0 HHABRO CC(C)c1ccc(NC(=O)CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)[C@@H](O)C2)cc1 ZINC000257207371 568778252 /nfs/dbraw/zinc/77/82/52/568778252.db2.gz BHLZWMLSTBPKLI-AHWVRZQESA-N 1 0 421.585 3.850 40 0 HHABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1cccnc1 ZINC000257229911 568784879 /nfs/dbraw/zinc/78/48/79/568784879.db2.gz FZYWVPDUHZQVKT-CAIUVPPLSA-N 1 0 419.569 3.936 40 0 HHABRO Cc1nn(C)c(C)c1NC(=O)CN1[C@H](c2ccccc2)C[C@]2(C)[NH2+]CCCCC[C@H]12 ZINC000257267002 568794809 /nfs/dbraw/zinc/79/48/09/568794809.db2.gz MFNIRXZFGALOQQ-HFMPRLQTSA-N 1 0 409.578 3.713 40 0 HHABRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257268405 568795252 /nfs/dbraw/zinc/79/52/52/568795252.db2.gz MLNRUYBAEPZGMK-VMCMCTHWSA-N 1 0 406.954 3.789 40 0 HHABRO Cc1cccn2cc(C(=O)N3[C@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[NH2+]4)nc12 ZINC000257271660 568795960 /nfs/dbraw/zinc/79/59/60/568795960.db2.gz MZGDKAJRUCYALN-PPINEWEDSA-N 1 0 414.553 3.999 40 0 HHABRO COCCn1cnc2c1C1(CC[NH+](Cc3scnc3C)CC1)Oc1ccccc1-2 ZINC000306126663 568889526 /nfs/dbraw/zinc/88/95/26/568889526.db2.gz FBGMJGUCPDFNOK-UHFFFAOYSA-N 1 0 410.543 3.845 40 0 HHABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 ZINC000306131958 568894100 /nfs/dbraw/zinc/89/41/00/568894100.db2.gz KTWFECDFTPNGDY-RTBURBONSA-N 1 0 403.482 3.592 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3nnc4ccc(-c5ccncc5)nn43)CC2)cc1 ZINC000306132309 568894693 /nfs/dbraw/zinc/89/46/93/568894693.db2.gz LESZOAAPWSSKQA-UHFFFAOYSA-N 1 0 400.486 3.575 40 0 HHABRO CC(C)C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C1CC[NH+](C)CC1 ZINC000306134652 568896573 /nfs/dbraw/zinc/89/65/73/568896573.db2.gz NULHUJRISCDMIH-UHFFFAOYSA-N 1 0 408.546 3.683 40 0 HHABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](Cc4cnn(C)c4)C3)nn2c1 ZINC000306139378 568901333 /nfs/dbraw/zinc/90/13/33/568901333.db2.gz SVQHNWXWVPBPSK-SFHVURJKSA-N 1 0 420.492 3.657 40 0 HHABRO O=C(NCc1ccc(F)cc1)[C@@H]1COCC[N@H+](Cc2cccnc2)[C@H]1c1ccccc1 ZINC000306140524 568902417 /nfs/dbraw/zinc/90/24/17/568902417.db2.gz UWDWFYFMELKYET-RPWUZVMVSA-N 1 0 419.500 3.727 40 0 HHABRO COC[C@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218591495 568938448 /nfs/dbraw/zinc/93/84/48/568938448.db2.gz PXATVBJBYUSZAX-FGTMMUONSA-N 1 0 400.327 3.525 40 0 HHABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611393 568939755 /nfs/dbraw/zinc/93/97/55/568939755.db2.gz COKOVRNILPZULJ-GBESFXJTSA-N 1 0 414.354 3.915 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000328971619 568970546 /nfs/dbraw/zinc/97/05/46/568970546.db2.gz DQMKKTHAJYWWSD-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO Cc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329005244 568972184 /nfs/dbraw/zinc/97/21/84/568972184.db2.gz KXGLRVDZSQGHII-KRWDZBQOSA-N 1 0 410.440 3.675 40 0 HHABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329066362 568975522 /nfs/dbraw/zinc/97/55/22/568975522.db2.gz YAMHMUFPGKRNBX-KRWDZBQOSA-N 1 0 405.340 3.539 40 0 HHABRO CC[C@H](OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022787000 569042777 /nfs/dbraw/zinc/04/27/77/569042777.db2.gz RCDXKNBTCDIRQZ-GOTSBHOMSA-N 1 0 402.966 3.986 40 0 HHABRO CC[C@H](OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022786994 569042802 /nfs/dbraw/zinc/04/28/02/569042802.db2.gz RCDXKNBTCDIRQZ-PKTZIBPZSA-N 1 0 402.966 3.986 40 0 HHABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2cccc3ccccc32)CC1 ZINC000006388608 569332019 /nfs/dbraw/zinc/33/20/19/569332019.db2.gz BIQTWHDGNJWGOX-UHFFFAOYSA-N 1 0 404.539 3.718 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000012157786 569344597 /nfs/dbraw/zinc/34/45/97/569344597.db2.gz NEVQXBZFGBLFPC-GHTZIAJQSA-N 1 0 422.554 3.930 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000019552250 569345709 /nfs/dbraw/zinc/34/57/09/569345709.db2.gz RRHPAUUBXJDDLQ-AUSIDOKSSA-N 1 0 409.530 3.578 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@]3(C)[C@H]2CCCCC(=O)N3C)cc1Cn1nc(C)cc1C ZINC000019713675 569348374 /nfs/dbraw/zinc/34/83/74/569348374.db2.gz QTCHFGJXKBGXPO-ILBGXUMGSA-N 1 0 424.589 3.922 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C)NC(=O)CCCC[C@@H]23)cc1Cc1c(C)n[nH]c1C ZINC000019713388 569348415 /nfs/dbraw/zinc/34/84/15/569348415.db2.gz BNDNUBIRYLNDGO-ISKFKSNPSA-N 1 0 410.562 3.649 40 0 HHABRO COc1ccc(CN2C(=O)CCCC[C@H]3[N@H+](Cc4cnn(C)c4C)CC[C@]32C)cc1 ZINC000019713677 569348461 /nfs/dbraw/zinc/34/84/61/569348461.db2.gz CQHUOTUPQOTWAP-ISKFKSNPSA-N 1 0 410.562 3.673 40 0 HHABRO COc1cccc(C[NH+]2CCC(c3ncc(C(N)=O)c(C)n3)CC2)c1OC1CCCC1 ZINC000019766635 569349137 /nfs/dbraw/zinc/34/91/37/569349137.db2.gz LUAKZGXNGHKLRQ-UHFFFAOYSA-N 1 0 424.545 3.594 40 0 HHABRO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328957887 571306034 /nfs/dbraw/zinc/30/60/34/571306034.db2.gz ALZPWTKRKYEOBX-QGZVFWFLSA-N 1 0 405.340 4.157 40 0 HHABRO CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635312 291249525 /nfs/dbraw/zinc/24/95/25/291249525.db2.gz JENOSBWVRULIQQ-UHOSZYNNSA-N 1 0 400.498 3.540 40 0 biogenic,in-vitro HHABRO COc1ccc(C[NH2+]C[C@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)cc1 ZINC000077262857 291254957 /nfs/dbraw/zinc/25/49/57/291254957.db2.gz NBJATMBRXOEWSE-WPFOTENUSA-N 1 0 408.498 3.591 40 0 biogenic,in-vitro HHABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(COc4ccccn4)CC3)ccc21 ZINC000012326743 132358751 /nfs/dbraw/zinc/35/87/51/132358751.db2.gz OEMUZMKKFNTWNS-HSZRJFAPSA-N 1 0 423.557 3.595 40 0 HHABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(OCc4ccccc4)CC3)ccc21 ZINC000012326549 132358756 /nfs/dbraw/zinc/35/87/56/132358756.db2.gz DXKIBLRJRKEHCN-VWLOTQADSA-N 1 0 408.542 3.700 40 0 HHABRO COc1ccc(CC[NH2+]CC(=O)Nc2ccc(C)c(Br)c2)cc1OC ZINC000005000513 557623566 /nfs/dbraw/zinc/62/35/66/557623566.db2.gz SZCWGWRNKBRLOM-UHFFFAOYSA-N 1 0 407.308 3.546 40 0 HHABRO Cc1nc(C2CC[NH+](CC3CC3)CC2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019739404 558260590 /nfs/dbraw/zinc/26/05/90/558260590.db2.gz YVUVHUXLWNIXAG-UHFFFAOYSA-N 1 0 408.521 3.993 40 0 HHABRO O=C(NCCCn1cccn1)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc1 ZINC000019752769 558271951 /nfs/dbraw/zinc/27/19/51/558271951.db2.gz JGCUXDUDUCJWKQ-OAQYLSRUSA-N 1 0 421.520 3.617 40 0 HHABRO Cc1nc(N)cc(CC2CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)n1 ZINC000019758865 558275485 /nfs/dbraw/zinc/27/54/85/558275485.db2.gz WGTSWRONZDZRDW-UHFFFAOYSA-N 1 0 402.926 3.637 40 0 HHABRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1 ZINC000012143848 558335727 /nfs/dbraw/zinc/33/57/27/558335727.db2.gz NXKNGKAERRDJRT-UHFFFAOYSA-N 1 0 422.504 3.852 40 0 HHABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182136 558343107 /nfs/dbraw/zinc/34/31/07/558343107.db2.gz XYXCXSVJAPNTOJ-BHYGNILZSA-N 1 0 409.456 3.795 40 0 HHABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000012182208 558343152 /nfs/dbraw/zinc/34/31/52/558343152.db2.gz HAFYLKNECXTJLO-OHQAAIJDSA-N 1 0 418.994 3.879 40 0 HHABRO CC1(C)CCC[N@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182823 558343504 /nfs/dbraw/zinc/34/35/04/558343504.db2.gz UNBAHXBDHOIJKF-ZWKOTPCHSA-N 1 0 402.539 3.509 40 0 HHABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCC[C@@H]3CCOC3)cc12 ZINC000012186388 558345381 /nfs/dbraw/zinc/34/53/81/558345381.db2.gz MSYRAGMWYVUDGC-QGZVFWFLSA-N 1 0 408.546 3.918 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)c(OC)c1 ZINC000012328251 558383546 /nfs/dbraw/zinc/38/35/46/558383546.db2.gz HHRQODRXIVRBJJ-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330262 558385200 /nfs/dbraw/zinc/38/52/00/558385200.db2.gz FBDGYPQGWAGPQE-BJKOFHAPSA-N 1 0 423.553 3.958 40 0 HHABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330296 558385501 /nfs/dbraw/zinc/38/55/01/558385501.db2.gz DIPNPKADAGYUON-DHIUTWEWSA-N 1 0 409.526 3.655 40 0 HHABRO COc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1OC ZINC000028220627 558693027 /nfs/dbraw/zinc/69/30/27/558693027.db2.gz SBEUILKAJUHRCY-LJQANCHMSA-N 1 0 416.949 3.928 40 0 HHABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3cccc(CN4CCOCC4)c3)cc2)CC1 ZINC000038831696 558816888 /nfs/dbraw/zinc/81/68/88/558816888.db2.gz FATYRFHXMUSNDS-UHFFFAOYSA-N 1 0 421.585 3.681 40 0 HHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850739 558818760 /nfs/dbraw/zinc/81/87/60/558818760.db2.gz ZHGOXBOKEJTHOV-JOCHJYFZSA-N 1 0 411.977 3.896 40 0 HHABRO O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019014725 558836837 /nfs/dbraw/zinc/83/68/37/558836837.db2.gz LDUOVGMYCPYIAO-SFHVURJKSA-N 1 0 412.578 3.769 40 0 HHABRO CC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000019020012 558837557 /nfs/dbraw/zinc/83/75/57/558837557.db2.gz VJMOAWYZPUDJCW-VXKWHMMOSA-N 1 0 403.542 3.650 40 0 HHABRO C[NH+]1CCC(N(C[C@@H]2CCCO2)C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000019082399 558840147 /nfs/dbraw/zinc/84/01/47/558840147.db2.gz SWUKBEDKZRBBQR-AEFFLSMTSA-N 1 0 403.567 3.541 40 0 HHABRO Cc1ccccc1CC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019237116 558856552 /nfs/dbraw/zinc/85/65/52/558856552.db2.gz GKKFPPIOYSVMCM-UHFFFAOYSA-N 1 0 420.532 3.858 40 0 HHABRO Fc1ccccc1OCCC[N@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019368113 558877117 /nfs/dbraw/zinc/87/71/17/558877117.db2.gz FCGYDNVOBCSPHS-HYVNUMGLSA-N 1 0 409.456 3.589 40 0 HHABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC000019404195 558884315 /nfs/dbraw/zinc/88/43/15/558884315.db2.gz RBEAAYGPVFBBQC-QFIPXVFZSA-N 1 0 422.577 3.570 40 0 HHABRO CC(C)Oc1cccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c1 ZINC000019450844 558889060 /nfs/dbraw/zinc/88/90/60/558889060.db2.gz XDHREIDVDATVLW-UHFFFAOYSA-N 1 0 404.514 3.999 40 0 HHABRO C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000019497331 558896143 /nfs/dbraw/zinc/89/61/43/558896143.db2.gz CVWXBAAMDBGOQY-HZPDHXFCSA-N 1 0 416.953 3.692 40 0 HHABRO CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019499847 558898120 /nfs/dbraw/zinc/89/81/20/558898120.db2.gz IGIJKYZXMNJXEO-JXFKEZNVSA-N 1 0 400.567 3.830 40 0 HHABRO CCc1ncc(C[N@@H+]2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523310 558904344 /nfs/dbraw/zinc/90/43/44/558904344.db2.gz ZUZMBIBPYHHQTR-VWLOTQADSA-N 1 0 400.526 3.626 40 0 HHABRO CCn1cc([C@H](O)C[NH+]2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 ZINC000019524756 558906011 /nfs/dbraw/zinc/90/60/11/558906011.db2.gz LCQWZTHGHLLXDL-XMMPIXPASA-N 1 0 418.541 3.571 40 0 HHABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019529158 558910785 /nfs/dbraw/zinc/91/07/85/558910785.db2.gz QNODKOVCNMFZSC-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO COCCNc1ncc(-c2ccc(F)cc2)c(-c2cnc(C3CC[NH2+]CC3)nc2C)n1 ZINC000019552683 558916053 /nfs/dbraw/zinc/91/60/53/558916053.db2.gz XTGRZMQBYKFXLM-UHFFFAOYSA-N 1 0 422.508 3.573 40 0 HHABRO Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000019561006 558922027 /nfs/dbraw/zinc/92/20/27/558922027.db2.gz QHZCJKGROHSWLI-UHFFFAOYSA-N 1 0 407.543 3.645 40 0 HHABRO Cc1sc2ncn(CC3(O)CC[NH+](Cc4ccccc4Cl)CC3)c(=O)c2c1C ZINC000019561570 558922175 /nfs/dbraw/zinc/92/21/75/558922175.db2.gz ZYTKCKNOMSCNIO-UHFFFAOYSA-N 1 0 417.962 3.755 40 0 HHABRO COc1cccc(C[N@@H+]2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019564716 558924782 /nfs/dbraw/zinc/92/47/82/558924782.db2.gz MUEOCEPWZSDPLI-RUZDIDTESA-N 1 0 401.510 3.677 40 0 HHABRO CCn1cncc1C[NH+]1CCC([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019578595 558934255 /nfs/dbraw/zinc/93/42/55/558934255.db2.gz SGDNKYLFDYVBDJ-QHCPKHFHSA-N 1 0 421.520 3.820 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000072337772 558938102 /nfs/dbraw/zinc/93/81/02/558938102.db2.gz NYOKLTCMXIMYEY-LPHOPBHVSA-N 1 0 415.559 3.640 40 0 HHABRO C[NH+](C)CCCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072340123 558938896 /nfs/dbraw/zinc/93/88/96/558938896.db2.gz OMLWIMLJBCOGME-UHFFFAOYSA-N 1 0 420.536 3.600 40 0 HHABRO COc1ccccc1C[N@@H+]1CCN(C)C(=O)[C@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019589650 558940365 /nfs/dbraw/zinc/94/03/65/558940365.db2.gz PQKIAKZUKXDMHE-HSZRJFAPSA-N 1 0 415.537 3.890 40 0 HHABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000072346068 558942714 /nfs/dbraw/zinc/94/27/14/558942714.db2.gz LXKGIXYLTGEDRT-NRFANRHFSA-N 1 0 415.541 3.637 40 0 HHABRO O=C(CCC[NH+]1CCCCCC1)N1CCC[C@@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000072353404 558950332 /nfs/dbraw/zinc/95/03/32/558950332.db2.gz OQXFIXUHLHXFMN-HXUWFJFHSA-N 1 0 422.577 3.977 40 0 HHABRO O=C(C[NH+]1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1)N1CCCC1 ZINC000072359394 558954994 /nfs/dbraw/zinc/95/49/94/558954994.db2.gz VIGJNRSTOZRBHZ-UHFFFAOYSA-N 1 0 418.463 3.964 40 0 HHABRO O=C(C[N@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)N1CCCCC1 ZINC000072369956 558956118 /nfs/dbraw/zinc/95/61/18/558956118.db2.gz ZVYZARDEUFAOLW-HNNXBMFYSA-N 1 0 408.424 3.557 40 0 HHABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3CC(=O)N3CCCCC3)c2)n1 ZINC000072372470 558959968 /nfs/dbraw/zinc/95/99/68/558959968.db2.gz LCDYRMLOFZDBEN-NRFANRHFSA-N 1 0 408.550 3.690 40 0 HHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@@H+]2Cc2ccccc2F)n1 ZINC000019690455 558960055 /nfs/dbraw/zinc/96/00/55/558960055.db2.gz BBFABOFZGNTHHK-OAQYLSRUSA-N 1 0 419.504 3.785 40 0 HHABRO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3CC(=O)NCc3ccccn3)c2)s1 ZINC000072372568 558960160 /nfs/dbraw/zinc/96/01/60/558960160.db2.gz GPSKSSWWGOANFA-FQEVSTJZSA-N 1 0 422.558 3.747 40 0 HHABRO Cc1cc(-c2cncnc2)cc(C2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)n1 ZINC000019691947 558961428 /nfs/dbraw/zinc/96/14/28/558961428.db2.gz GGCGDHXZXPBUTL-UHFFFAOYSA-N 1 0 407.562 3.818 40 0 HHABRO COCCc1ncc(C[NH+]2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)cn1 ZINC000072374324 558961712 /nfs/dbraw/zinc/96/17/12/558961712.db2.gz XXSNBXVBVNHEFG-UHFFFAOYSA-N 1 0 422.508 3.718 40 0 HHABRO Cc1c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019694085 558962335 /nfs/dbraw/zinc/96/23/35/558962335.db2.gz GVCCAVYARGPEIK-GOSISDBHSA-N 1 0 408.525 3.770 40 0 HHABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)Cc4ccccn4)C3)c2)n1 ZINC000072374914 558963114 /nfs/dbraw/zinc/96/31/14/558963114.db2.gz RSVMLBMRMGFLSO-IBGZPJMESA-N 1 0 416.529 3.884 40 0 HHABRO CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000019695290 558963910 /nfs/dbraw/zinc/96/39/10/558963910.db2.gz FIDVCVSBDHOZHG-UHFFFAOYSA-N 1 0 410.953 3.976 40 0 HHABRO C[C@@H](CC[N@@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1)c1ccccc1 ZINC000019701039 558967301 /nfs/dbraw/zinc/96/73/01/558967301.db2.gz KDKZWCLRXSWIHZ-SFHVURJKSA-N 1 0 415.541 3.541 40 0 HHABRO CC(=O)N1CCC(c2ccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cn2)CC1 ZINC000019708055 558970266 /nfs/dbraw/zinc/97/02/66/558970266.db2.gz UVXUOMGFFGDMIG-UHFFFAOYSA-N 1 0 406.530 3.656 40 0 HHABRO CC[NH+](CC)Cc1c(C)onc1C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000072391764 558971576 /nfs/dbraw/zinc/97/15/76/558971576.db2.gz SSTGRNZIGUNLOU-UHFFFAOYSA-N 1 0 424.467 3.806 40 0 HHABRO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](C2CCOCC2)C1 ZINC000072396050 558975077 /nfs/dbraw/zinc/97/50/77/558975077.db2.gz YXFFDRQQJKHDIR-DEOSSOPVSA-N 1 0 411.546 3.590 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000072398559 558975888 /nfs/dbraw/zinc/97/58/88/558975888.db2.gz QUDIYISPMHIWQV-GCJKJVERSA-N 1 0 409.530 3.578 40 0 HHABRO Cc1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019715765 558977041 /nfs/dbraw/zinc/97/70/41/558977041.db2.gz ZQVSMLUCAVAKQL-KRWDZBQOSA-N 1 0 411.575 3.554 40 0 HHABRO Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(C)ccc3OCC[NH+]3CCCC3)c12 ZINC000019716334 558978093 /nfs/dbraw/zinc/97/80/93/558978093.db2.gz PDCKWFOMGXYFFV-UHFFFAOYSA-N 1 0 407.518 3.620 40 0 HHABRO O=C(Cc1cn[nH]c1)NC1CC2(C1)CC[NH+](Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000585104242 559026849 /nfs/dbraw/zinc/02/68/49/559026849.db2.gz XBOUCSKIKAOZSE-UHFFFAOYSA-N 1 0 424.442 3.671 40 0 HHABRO C[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585106946 559029245 /nfs/dbraw/zinc/02/92/45/559029245.db2.gz LUWQZGIVBJAULU-VWLOTQADSA-N 1 0 418.516 3.695 40 0 HHABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](CCOc4cccc(F)c4)C[C@@H]32)no1 ZINC000585109512 559029375 /nfs/dbraw/zinc/02/93/75/559029375.db2.gz ALSWMRIIPLQRSZ-QNWVGRARSA-N 1 0 421.472 3.701 40 0 HHABRO O=C(C[C@H]1CC2(CC[NH+](CC3CCOCC3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053404 559093345 /nfs/dbraw/zinc/09/33/45/559093345.db2.gz MLVWMJMPYIPHQU-FQEVSTJZSA-N 1 0 412.574 3.873 40 0 HHABRO C[NH+](C)C1CCN(C(=O)c2cc(-c3ccn(-c4ccccc4)n3)n3ccccc23)CC1 ZINC000096154757 559099164 /nfs/dbraw/zinc/09/91/64/559099164.db2.gz MNFASXUYSUNMAM-UHFFFAOYSA-N 1 0 413.525 3.958 40 0 HHABRO Cc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585272744 559118195 /nfs/dbraw/zinc/11/81/95/559118195.db2.gz JHSAFSWGHOOBJK-RUZDIDTESA-N 1 0 421.541 3.676 40 0 HHABRO Cc1ccc(OCC2(O)CC[NH+](CC3(O)CCN(c4ccccc4C)CC3)CC2)cc1 ZINC000585281998 559119734 /nfs/dbraw/zinc/11/97/34/559119734.db2.gz FAZYPORVUXXGGJ-UHFFFAOYSA-N 1 0 424.585 3.541 40 0 HHABRO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](N5CC5)[C@H](C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000118913832 559205186 /nfs/dbraw/zinc/20/51/86/559205186.db2.gz WRCFYFRXAYMSAE-IMPNDFAOSA-N 1 0 415.574 3.639 40 0 in-vitro HHABRO COc1ccccc1-c1cccc(C[C@]2(C(=O)N[C@H]3CCC[N@H+](C)C3)CCCO2)c1 ZINC000257262817 559284827 /nfs/dbraw/zinc/28/48/27/559284827.db2.gz LNBGYRWAOPEASZ-OFVILXPXSA-N 1 0 408.542 3.664 40 0 HHABRO COc1ccccc1-c1cccc(C[C@]2(C(=O)N[C@@H]3CCC[N@H+](C)C3)CCCO2)c1 ZINC000257262816 559284914 /nfs/dbraw/zinc/28/49/14/559284914.db2.gz LNBGYRWAOPEASZ-BWKNWUBXSA-N 1 0 408.542 3.664 40 0 HHABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)cc12 ZINC000000880651 560539695 /nfs/dbraw/zinc/53/96/95/560539695.db2.gz PFCHCIVHDGFFPS-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2)n1 ZINC000149135771 560558833 /nfs/dbraw/zinc/55/88/33/560558833.db2.gz VHONDGJOXLLEIT-UHFFFAOYSA-N 1 0 402.542 3.726 40 0 HHABRO Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c12 ZINC000004133474 560600480 /nfs/dbraw/zinc/60/04/80/560600480.db2.gz SZDSXYPEMVVJSZ-SFHVURJKSA-N 1 0 422.598 3.836 40 0 HHABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCC(C)C ZINC000004133694 560600783 /nfs/dbraw/zinc/60/07/83/560600783.db2.gz KFUSXMPOXKWGJE-UHFFFAOYSA-N 1 0 402.608 3.511 40 0 HHABRO Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1CCC[NH+](C)C ZINC000004860812 560613557 /nfs/dbraw/zinc/61/35/57/560613557.db2.gz LKPZTCDBSAIWMM-UHFFFAOYSA-N 1 0 417.510 3.668 40 0 HHABRO Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409058981 560670838 /nfs/dbraw/zinc/67/08/38/560670838.db2.gz QAOXGSRSFCRXAI-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000409055734 560671636 /nfs/dbraw/zinc/67/16/36/560671636.db2.gz ATQOFSOQRAXPLR-JLSHEFHBSA-O 1 0 412.513 3.826 40 0 HHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1 ZINC000006629870 560744513 /nfs/dbraw/zinc/74/45/13/560744513.db2.gz RACPEIAHLZFISX-UHFFFAOYSA-N 1 0 401.532 3.672 40 0 HHABRO COc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022074844 568473899 /nfs/dbraw/zinc/47/38/99/568473899.db2.gz SLQYENGNVVFFBW-AWEZNQCLSA-N 1 0 413.345 3.641 40 0 HHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCc3ccc(F)cc3)o2)c1 ZINC000022108551 568475333 /nfs/dbraw/zinc/47/53/33/568475333.db2.gz YIGVTNJYSFPULX-UHFFFAOYSA-N 1 0 411.429 3.991 40 0 HHABRO O=C(NCCCN1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000219425415 568491672 /nfs/dbraw/zinc/49/16/72/568491672.db2.gz ZDKOVNAPFLEQST-UHFFFAOYSA-N 1 0 409.549 3.997 40 0 HHABRO O=C(NCCC[NH+]1CCCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000222636634 568521677 /nfs/dbraw/zinc/52/16/77/568521677.db2.gz DKJYFTQGTOFBBG-UZYVYHOESA-N 1 0 411.571 3.901 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000223238068 568542134 /nfs/dbraw/zinc/54/21/34/568542134.db2.gz MOHFRMLVHMXSQK-FCHUYYIVSA-N 1 0 421.570 3.502 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000223248288 568542630 /nfs/dbraw/zinc/54/26/30/568542630.db2.gz BWRLCRXHOYPSKG-YADHBBJMSA-N 1 0 405.571 3.797 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000223278570 568543836 /nfs/dbraw/zinc/54/38/36/568543836.db2.gz FGMUWQWXXPBINH-RTWAWAEBSA-N 1 0 409.534 3.546 40 0 HHABRO Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223277126 568543875 /nfs/dbraw/zinc/54/38/75/568543875.db2.gz ZSXXYERVFWUJHH-YADHBBJMSA-N 1 0 405.571 3.715 40 0 HHABRO COc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCC2)c(OC)c1OC ZINC000224759018 568595715 /nfs/dbraw/zinc/59/57/15/568595715.db2.gz ZLDADSPXHOSJPC-ACCUITESSA-N 1 0 410.514 3.638 40 0 HHABRO CCc1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1OC ZINC000224850596 568600226 /nfs/dbraw/zinc/60/02/26/568600226.db2.gz HBMFOYFJERKNPW-UHFFFAOYSA-N 1 0 402.560 3.722 40 0 HHABRO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1 ZINC000020494780 568615566 /nfs/dbraw/zinc/61/55/66/568615566.db2.gz NOOHLTYSCPANMT-RUZDIDTESA-N 1 0 423.472 3.850 40 0 HHABRO COC(=O)c1cc(N)ccc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225487563 568642027 /nfs/dbraw/zinc/64/20/27/568642027.db2.gz IBFVEHOFGCDTTL-UHFFFAOYSA-N 1 0 401.510 3.967 40 0 HHABRO Cc1cncc([C@H]2CCCN(C(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)C2)n1 ZINC000257207002 568778192 /nfs/dbraw/zinc/77/81/92/568778192.db2.gz BFVQOBCYTKPKOW-FQEVSTJZSA-N 1 0 410.537 3.585 40 0 HHABRO COc1cccc(C(=O)N2CCC(c3cc(Nc4cnccn4)cc(C)[nH+]3)CC2)c1 ZINC000257220408 568782069 /nfs/dbraw/zinc/78/20/69/568782069.db2.gz DKSSSUVQSKHJQN-UHFFFAOYSA-N 1 0 403.486 3.952 40 0 HHABRO NC(=O)c1cccc(-c2cccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257230698 568785047 /nfs/dbraw/zinc/78/50/47/568785047.db2.gz GDLZEESWZDIWHP-VWLOTQADSA-N 1 0 424.504 3.969 40 0 HHABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)CN1CCCCCC1=O ZINC000257232666 568785544 /nfs/dbraw/zinc/78/55/44/568785544.db2.gz GLWNMTMDXCOTQO-KDHQNNTKSA-N 1 0 423.601 3.522 40 0 HHABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)[nH+]1 ZINC000257237393 568786830 /nfs/dbraw/zinc/78/68/30/568786830.db2.gz HGGOQXXOUUFUFK-CQSZACIVSA-N 1 0 408.531 3.822 40 0 HHABRO C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC(Cc3ccncc3)CC2)CC1 ZINC000257244525 568788596 /nfs/dbraw/zinc/78/85/96/568788596.db2.gz ILTGNGRURLNZPZ-UHFFFAOYSA-N 1 0 409.549 3.957 40 0 HHABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)CC[NH+]2CCC(C)CC2)C1 ZINC000257248964 568789915 /nfs/dbraw/zinc/78/99/15/568789915.db2.gz JFZRUKKBSMPRJM-QGZVFWFLSA-N 1 0 413.587 3.699 40 0 HHABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(S(=O)(=O)N3CCCCC3)C2)[nH+]1 ZINC000257289698 568801386 /nfs/dbraw/zinc/80/13/86/568801386.db2.gz PZVDSHXTYMVMEY-QGZVFWFLSA-N 1 0 418.538 3.793 40 0 HHABRO Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)NC3CCCCC3)CC2)[nH+]1 ZINC000257291591 568802021 /nfs/dbraw/zinc/80/20/21/568802021.db2.gz QHSKMKLUDTYVAF-UHFFFAOYSA-N 1 0 408.550 3.552 40 0 HHABRO Cc1cccc(Nc2cncc(C3CCN(C(=O)C4CC[NH+](C(C)C)CC4)CC3)n2)n1 ZINC000257296110 568803446 /nfs/dbraw/zinc/80/34/46/568803446.db2.gz RBHLWCCZQMSBOU-UHFFFAOYSA-N 1 0 422.577 3.750 40 0 HHABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000257305152 568806126 /nfs/dbraw/zinc/80/61/26/568806126.db2.gz SOQWWFOJSNLJBU-XMMPIXPASA-N 1 0 409.505 3.796 40 0 HHABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccccn2)CC1 ZINC000257311574 568807690 /nfs/dbraw/zinc/80/76/90/568807690.db2.gz UKCWMNBDAUTJFQ-UHFFFAOYSA-N 1 0 400.526 3.715 40 0 HHABRO CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000257317129 568809475 /nfs/dbraw/zinc/80/94/75/568809475.db2.gz VINCCBVEAJPLMI-IBGZPJMESA-N 1 0 424.611 3.706 40 0 HHABRO CC(C)n1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306129505 568892005 /nfs/dbraw/zinc/89/20/05/568892005.db2.gz IFMHYCHXZFJFJT-NRFANRHFSA-N 1 0 401.518 3.948 40 0 HHABRO COc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306131790 568894182 /nfs/dbraw/zinc/89/41/82/568894182.db2.gz KPTGHWJOPKTPSZ-WIOPSUGQSA-N 1 0 422.573 3.701 40 0 HHABRO Cc1nc2c(n1C(C)C)CN(C(=O)c1cnc(C)cn1)CC21CC[NH+](CC(C)C)CC1 ZINC000306132060 568894339 /nfs/dbraw/zinc/89/43/39/568894339.db2.gz KWSRNCNGQUSJHT-UHFFFAOYSA-N 1 0 424.593 3.516 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccc(OC)cc4)cnc2CO3)cc1 ZINC000306134183 568896155 /nfs/dbraw/zinc/89/61/55/568896155.db2.gz NFHLWUGJROZSOP-DEOSSOPVSA-N 1 0 405.498 3.742 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc(OC)cc4)C[C@H]32)cc1 ZINC000306135213 568897264 /nfs/dbraw/zinc/89/72/64/568897264.db2.gz OLCAVNMLPFVOLQ-DNQXCXABSA-N 1 0 417.509 3.587 40 0 HHABRO CC(C)C[NH+]1CCC2(CCCN(C(=O)c3ccccc3)[C@@H]2CNC(=O)C2CC2)CC1 ZINC000306139069 568900894 /nfs/dbraw/zinc/90/08/94/568900894.db2.gz SOLJBBQNEATOHJ-JOCHJYFZSA-N 1 0 411.590 3.556 40 0 HHABRO COc1cccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306143898 568905057 /nfs/dbraw/zinc/90/50/57/568905057.db2.gz YQCVWYAJPQQNCV-DHLKQENFSA-N 1 0 422.573 3.701 40 0 HHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144079 568905435 /nfs/dbraw/zinc/90/54/35/568905435.db2.gz YVQJQAJXLGKXFQ-URXFXBBRSA-N 1 0 410.537 3.831 40 0 HHABRO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000328991054 568971545 /nfs/dbraw/zinc/97/15/45/568971545.db2.gz IRVFWNAGRNCHCL-ZDUSSCGKSA-N 1 0 410.440 3.854 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccn2)n1 ZINC000328995257 568971839 /nfs/dbraw/zinc/97/18/39/568971839.db2.gz JHVQJQRQONSNSL-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO COc1cc2c(cc1OC)CN(c1cc(N[C@H](CO)C(C)C)[nH+]c(C(C)C)n1)CC2 ZINC000329023879 568973278 /nfs/dbraw/zinc/97/32/78/568973278.db2.gz OVUDABGGMAOSOO-GOSISDBHSA-N 1 0 414.550 3.609 40 0 HHABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329029769 568973705 /nfs/dbraw/zinc/97/37/05/568973705.db2.gz QBAPFHCKSPKCPP-SFHVURJKSA-N 1 0 419.367 3.793 40 0 HHABRO C[NH+](C)CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)n1 ZINC000329069936 568975693 /nfs/dbraw/zinc/97/56/93/568975693.db2.gz ZBMFKPLEKHEPBL-UHFFFAOYSA-N 1 0 421.467 3.789 40 0 HHABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(Cc3ccccc3)CC1)C2 ZINC000035075017 569027801 /nfs/dbraw/zinc/02/78/01/569027801.db2.gz QGLFZRGNXFHVJW-LYGMZBLVSA-N 1 0 400.607 3.787 40 0 HHABRO 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 569058907 /nfs/dbraw/zinc/05/89/07/569058907.db2.gz LPPMVEHGZWXTBA-ZMMAXQRCSA-N 1 0 424.570 3.741 40 0 HHABRO CC(=O)Nc1nc(C(=O)Nc2ccc(CC[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cs1 ZINC000247975351 569315914 /nfs/dbraw/zinc/31/59/14/569315914.db2.gz ZTFICEHYFQIFFE-WMLDXEAASA-N 1 0 400.548 3.874 40 0 HHABRO CC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)ccc21 ZINC000253601308 569318387 /nfs/dbraw/zinc/31/83/87/569318387.db2.gz OWRKYZZCMGGWSI-CLOONOSVSA-N 1 0 407.558 3.538 40 0 HHABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000019549660 569345660 /nfs/dbraw/zinc/34/56/60/569345660.db2.gz TVBPJBMXYGMPJD-XKDCRVNJSA-N 1 0 401.478 3.581 40 0 HHABRO CC[NH+]1CCC(CC(=O)N2CCO[C@H](c3ccc(-c4cccc(OC)c4)cn3)C2)CC1 ZINC000019693551 569346481 /nfs/dbraw/zinc/34/64/81/569346481.db2.gz VTJQATUOOQCPHX-DEOSSOPVSA-N 1 0 423.557 3.779 40 0 HHABRO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000019739136 569348618 /nfs/dbraw/zinc/34/86/18/569348618.db2.gz MUXLQQOMFKUYFN-HSZRJFAPSA-N 1 0 411.502 3.734 40 0 HHABRO CC1=C[C@@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+](C)C ZINC000030880325 291249011 /nfs/dbraw/zinc/24/90/11/291249011.db2.gz GJIRBPZTNGYZIV-ONTIZHBOSA-N 1 0 414.594 3.731 40 0 biogenic,in-vitro HHABRO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCN(CCOC)CC3)C=C2C)o1 ZINC000035442709 291249648 /nfs/dbraw/zinc/24/96/48/291249648.db2.gz JUWSUUZIQZQMKE-FKBYEOEOSA-N 1 0 418.626 3.683 40 0 biogenic,in-vitro HHABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CCCc3ccccc3)n2)cn1 ZINC000049155166 291251512 /nfs/dbraw/zinc/25/15/12/291251512.db2.gz QMJVFFOEHQGXMV-FQEVSTJZSA-N 1 0 408.502 3.927 40 0 biogenic,in-vitro HHABRO COc1cccc(C[NH2+]C[C@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)c1 ZINC000077262893 291255651 /nfs/dbraw/zinc/25/56/51/291255651.db2.gz PEDOIBZNWKJBDN-WPFOTENUSA-N 1 0 408.498 3.591 40 0 biogenic,in-vitro HHABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c(Br)c3)cc2)CC1 ZINC000006517645 132311424 /nfs/dbraw/zinc/31/14/24/132311424.db2.gz BCGGIQXPSITTFK-UHFFFAOYSA-N 1 0 418.335 3.852 40 0 HHABRO CC[NH+](CC)[C@H](CNC(=O)C12C[C@H]3C[C@H](CC(NC(C)=O)(C3)C1)C2)c1ccsc1 ZINC000031988534 520860043 /nfs/dbraw/zinc/86/00/43/520860043.db2.gz VKIJUZANMBVFMC-VJIWPOLMSA-N 1 0 417.619 3.722 40 0 HHABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000006517666 557706211 /nfs/dbraw/zinc/70/62/11/557706211.db2.gz PDPBANIRVZGYQA-UHFFFAOYSA-N 1 0 408.527 3.702 40 0 HHABRO Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=[NH+][C@H]2[C@@H]1CC=CCC1 ZINC000009052912 557820906 /nfs/dbraw/zinc/82/09/06/557820906.db2.gz ONQFQSBELPLCJS-IIBYNOLFSA-N 1 0 402.502 3.502 40 0 HHABRO C[NH+](C)CCOc1ccccc1NC(=O)[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000019748011 558267116 /nfs/dbraw/zinc/26/71/16/558267116.db2.gz YXOQESBADNPTAU-OAHLLOKOSA-N 1 0 422.451 3.506 40 0 HHABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752966 558272188 /nfs/dbraw/zinc/27/21/88/558272188.db2.gz ZDMSGLDFWLLECL-HXUWFJFHSA-N 1 0 414.557 3.907 40 0 HHABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000012185779 558345225 /nfs/dbraw/zinc/34/52/25/558345225.db2.gz QGEBPGWUHATCBW-GOSISDBHSA-N 1 0 420.561 3.947 40 0 HHABRO CCOc1ccc(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1OC ZINC000012275918 558364222 /nfs/dbraw/zinc/36/42/22/558364222.db2.gz SPKOYWIEPDIQGG-UHFFFAOYSA-N 1 0 409.490 3.622 40 0 HHABRO Cc1[nH]c2ccc(F)cc2c1[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000012329206 558384019 /nfs/dbraw/zinc/38/40/19/558384019.db2.gz SFQVDQSCFWJEJT-LEWJYISDSA-N 1 0 410.489 4.000 40 0 HHABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c1 ZINC000012330060 558384908 /nfs/dbraw/zinc/38/49/08/558384908.db2.gz DYLPIXXLTYEVHB-PMACEKPBSA-N 1 0 403.906 3.733 40 0 HHABRO CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000026780760 558665176 /nfs/dbraw/zinc/66/51/76/558665176.db2.gz NIBXAEFJEFMKAX-FQEVSTJZSA-N 1 0 408.464 3.830 40 0 HHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c(OC)c1OC ZINC000039749414 558687007 /nfs/dbraw/zinc/68/70/07/558687007.db2.gz QPTBEJBDUOPLDV-UHFFFAOYSA-N 1 0 412.530 3.549 40 0 HHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1I ZINC000030556524 558732863 /nfs/dbraw/zinc/73/28/63/558732863.db2.gz MRBPLFUWWSZICY-UHFFFAOYSA-N 1 0 420.294 3.817 40 0 HHABRO COCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030940073 558745430 /nfs/dbraw/zinc/74/54/30/558745430.db2.gz SYSQKGQQUBULSJ-UHFFFAOYSA-N 1 0 409.530 3.691 40 0 HHABRO Cc1cc2c(cc1C[NH+]1CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC1)OCO2 ZINC000019125545 558844636 /nfs/dbraw/zinc/84/46/36/558844636.db2.gz ONJCOWQTOUCECR-UHFFFAOYSA-N 1 0 419.407 3.560 40 0 HHABRO O=C(N[C@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccccc3Cl)CC2)no1 ZINC000019348895 558874623 /nfs/dbraw/zinc/87/46/23/558874623.db2.gz HNIHYVFVFOZMIR-KRWDZBQOSA-N 1 0 403.910 3.616 40 0 HHABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019370380 558878656 /nfs/dbraw/zinc/87/86/56/558878656.db2.gz VWTYPWDKTDFTLR-RDGATRHJSA-N 1 0 400.526 3.789 40 0 HHABRO FC(F)(F)[C@H]1C[C@@H]([C@H]2CCC[N@H+](CCCOc3ccccc3)C2)Nc2ncnn21 ZINC000019373507 558880519 /nfs/dbraw/zinc/88/05/19/558880519.db2.gz FPNAPBUBOKZYRK-RYQLBKOJSA-N 1 0 409.456 3.747 40 0 HHABRO CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019499844 558897776 /nfs/dbraw/zinc/89/77/76/558897776.db2.gz IGIJKYZXMNJXEO-OXQOHEQNSA-N 1 0 400.567 3.830 40 0 HHABRO CC[C@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019499821 558897864 /nfs/dbraw/zinc/89/78/64/558897864.db2.gz ADSQQGFMIKJEGU-JKSUJKDBSA-N 1 0 414.575 3.554 40 0 HHABRO CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019501424 558899497 /nfs/dbraw/zinc/89/94/97/558899497.db2.gz IJAXSOQSFPBBBV-HXUWFJFHSA-N 1 0 400.567 3.974 40 0 HHABRO CCCOc1cc2c(cc1C[N@H+]1C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C1)OCO2 ZINC000019503842 558900769 /nfs/dbraw/zinc/90/07/69/558900769.db2.gz WJWHPVCCZRMHGK-YIGJPRQDSA-N 1 0 410.514 3.637 40 0 HHABRO CCN1CC[N@H+](Cc2ccccn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527716 558909063 /nfs/dbraw/zinc/90/90/63/558909063.db2.gz KOSRZZFFKHLLOO-JOCHJYFZSA-N 1 0 400.526 3.667 40 0 HHABRO C[NH+]1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2N)CC1 ZINC000072229223 558931926 /nfs/dbraw/zinc/93/19/26/558931926.db2.gz YTZJSFJHTTXQGK-UHFFFAOYSA-N 1 0 423.742 3.689 40 0 HHABRO Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1C[NH+]1CCCCCC1 ZINC000019578590 558934190 /nfs/dbraw/zinc/93/41/90/558934190.db2.gz FBTVUDDANQEMLC-UHFFFAOYSA-N 1 0 406.534 3.688 40 0 HHABRO Cc1oc2ccccc2c1C[NH+]1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000072338936 558938359 /nfs/dbraw/zinc/93/83/59/558938359.db2.gz BEQRARMBQOPTNR-JOCHJYFZSA-N 1 0 411.527 3.683 40 0 HHABRO C[C@H](C[NH+]1CCN(c2c(F)cccc2[C@@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000072340570 558939260 /nfs/dbraw/zinc/93/92/60/558939260.db2.gz LYYGHRWBSCRPAV-WZONZLPQSA-N 1 0 408.521 3.567 40 0 HHABRO COc1cccc(-c2cccc(C[C@H]3C[N@H+](Cc4cccnc4)CCN(C)C3=O)c2)c1 ZINC000019589528 558940347 /nfs/dbraw/zinc/94/03/47/558940347.db2.gz KJMKAEMRRGUZGW-DEOSSOPVSA-N 1 0 415.537 3.890 40 0 HHABRO CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000072344948 558941317 /nfs/dbraw/zinc/94/13/17/558941317.db2.gz QMEJLAGMOXKCFT-FQEVSTJZSA-N 1 0 411.550 3.944 40 0 HHABRO COCC[N@@H+]1C[C@H](c2ccccc2)OC2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000019593391 558944332 /nfs/dbraw/zinc/94/43/32/558944332.db2.gz UGTHWAVUURTEBN-JOCHJYFZSA-N 1 0 412.505 3.520 40 0 HHABRO COCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019593794 558944869 /nfs/dbraw/zinc/94/48/69/558944869.db2.gz VOPDTBQEGVUCEW-QFIPXVFZSA-N 1 0 420.513 3.997 40 0 HHABRO COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)n2)c1 ZINC000072350400 558947467 /nfs/dbraw/zinc/94/74/67/558947467.db2.gz ORALVAHBQPZTEB-NRFANRHFSA-N 1 0 407.558 3.729 40 0 HHABRO Cc1c(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+](C)C)cccc1N1CCOCC1 ZINC000019664166 558954838 /nfs/dbraw/zinc/95/48/38/558954838.db2.gz COIGSYDWGGFGBB-OAQYLSRUSA-N 1 0 401.938 3.518 40 0 HHABRO CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCC[NH+](C)C ZINC000072370675 558957241 /nfs/dbraw/zinc/95/72/41/558957241.db2.gz HPOITBZIODGPBL-QGZVFWFLSA-N 1 0 401.576 3.526 40 0 HHABRO CC1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)CC1 ZINC000019687488 558957254 /nfs/dbraw/zinc/95/72/54/558957254.db2.gz VTITZABVTJNJLY-NRFANRHFSA-N 1 0 421.589 3.648 40 0 HHABRO CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000019689435 558958844 /nfs/dbraw/zinc/95/88/44/558958844.db2.gz INTTWTMJYUAVQP-IBGZPJMESA-N 1 0 413.953 3.622 40 0 HHABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(N[C@H](C)c3ccc(C)c(C)c3)c2C1 ZINC000072372289 558959476 /nfs/dbraw/zinc/95/94/76/558959476.db2.gz YJEVSNSTUBBMBU-GOSISDBHSA-N 1 0 421.589 3.980 40 0 HHABRO C[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCc4ccccn4)CCOCC3)c2)C1 ZINC000072372249 558959524 /nfs/dbraw/zinc/95/95/24/558959524.db2.gz BIKCJRINNKMJFJ-QFIPXVFZSA-N 1 0 407.558 3.547 40 0 HHABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cc(-c3cn[nH]c3)cc(C)n1)OCCO2 ZINC000019690833 558960223 /nfs/dbraw/zinc/96/02/23/558960223.db2.gz UZJZQXICWINEBK-FQEVSTJZSA-N 1 0 406.486 3.897 40 0 HHABRO COCCc1ncc(C[NH+]2CCC(c3ccc(Nc4ncccc4C)cn3)CC2)cn1 ZINC000072374323 558961774 /nfs/dbraw/zinc/96/17/74/558961774.db2.gz REZCRXWHUYHSQF-UHFFFAOYSA-N 1 0 418.545 3.887 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cn1 ZINC000019694182 558962487 /nfs/dbraw/zinc/96/24/87/558962487.db2.gz RMAUSSNIWSGQKT-IBGZPJMESA-N 1 0 408.525 3.945 40 0 HHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000072374837 558963027 /nfs/dbraw/zinc/96/30/27/558963027.db2.gz RHTYYLUQKBQPHZ-IBGZPJMESA-N 1 0 410.566 3.588 40 0 HHABRO O=C(Nc1ccc([C@H]2CCc3nncn3C2)cc1)c1ccccc1C[NH+]1CCCC1 ZINC000019699154 558966571 /nfs/dbraw/zinc/96/65/71/558966571.db2.gz AZVFNWQYCNVXOM-IBGZPJMESA-N 1 0 401.514 3.856 40 0 HHABRO CC(C)(C)C[N@@H+]1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 ZINC000072389084 558969550 /nfs/dbraw/zinc/96/95/50/558969550.db2.gz CMJRTWGVGPYGGG-RUZDIDTESA-N 1 0 407.558 3.687 40 0 HHABRO COc1cccc(OC)c1C(=O)N1CCCC[C@H]2C[N@H+](Cc3ccncc3C)C[C@H]21 ZINC000072398828 558976471 /nfs/dbraw/zinc/97/64/71/558976471.db2.gz RCPJRWOEEOBVNX-VQTJNVASSA-N 1 0 409.530 3.534 40 0 HHABRO CC[NH+]1CCN(CCC(=O)NCC2(c3ccc(-c4ccccc4OC)cc3)CC2)CC1 ZINC000585169109 559067864 /nfs/dbraw/zinc/06/78/64/559067864.db2.gz OQLYBHCOCCBKOT-UHFFFAOYSA-N 1 0 421.585 3.538 40 0 HHABRO CC[C@@H](C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000253396786 559072972 /nfs/dbraw/zinc/07/29/72/559072972.db2.gz BGJGYRYEEYYBGW-IYSOMAHNSA-N 1 0 411.590 3.780 40 0 HHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)o1 ZINC000096052806 559092535 /nfs/dbraw/zinc/09/25/35/559092535.db2.gz IXBOVYWEGFQYAN-HXUWFJFHSA-N 1 0 408.542 3.858 40 0 HHABRO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096056034 559093719 /nfs/dbraw/zinc/09/37/19/559093719.db2.gz DBQUOIRAXIHRQC-URXFXBBRSA-N 1 0 412.530 3.566 40 0 HHABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096061355 559094054 /nfs/dbraw/zinc/09/40/54/559094054.db2.gz SUNSOFCKUXHCLR-HSZRJFAPSA-N 1 0 408.542 3.692 40 0 HHABRO CCc1ncc(C[NH+]2CCC(Cc3nc(C)cc(Nc4nccs4)n3)CC2)cn1 ZINC000585263567 559112009 /nfs/dbraw/zinc/11/20/09/559112009.db2.gz PPMRARIZGAABPV-UHFFFAOYSA-N 1 0 409.563 3.792 40 0 HHABRO O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCCn3cccn3)c2)C1 ZINC000585272882 559117118 /nfs/dbraw/zinc/11/71/18/559117118.db2.gz KDXYGZVSLGMWDX-VWLOTQADSA-N 1 0 421.541 3.758 40 0 HHABRO 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 559126416 /nfs/dbraw/zinc/12/64/16/559126416.db2.gz AWTTZWCCGXRIMO-BVAFDOMYSA-N 1 0 423.557 3.505 40 0 HHABRO CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@@H](N5CC5)[C@H](C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000118913834 559205184 /nfs/dbraw/zinc/20/51/84/559205184.db2.gz WRCFYFRXAYMSAE-IGANSQQNSA-N 1 0 415.574 3.639 40 0 in-vitro HHABRO COc1cccc(-c2cccc(CC3(C(=O)N[C@@H]4CCC[N@H+](C)C4)CCOCC3)c2)c1 ZINC000257252095 559284563 /nfs/dbraw/zinc/28/45/63/559284563.db2.gz JTOBWSBVOUIJRU-HSZRJFAPSA-N 1 0 422.569 3.912 40 0 HHABRO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000012602456 560091297 /nfs/dbraw/zinc/09/12/97/560091297.db2.gz RZBGEYNTIZUXMF-CMKODMSKSA-N 1 0 409.496 3.632 40 0 biogenic,in-vitro HHABRO COc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000880603 560539666 /nfs/dbraw/zinc/53/96/66/560539666.db2.gz HPQJDPYQLDHWBG-UHFFFAOYSA-N 1 0 424.570 3.606 40 0 HHABRO COc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000880581 560539688 /nfs/dbraw/zinc/53/96/88/560539688.db2.gz GVFLRBPJRDREDY-UHFFFAOYSA-N 1 0 424.570 3.606 40 0 HHABRO CC[NH+](CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCC(C)C ZINC000004133772 560600735 /nfs/dbraw/zinc/60/07/35/560600735.db2.gz UNQIQZINJXLICJ-UHFFFAOYSA-N 1 0 416.635 3.819 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409058452 560670678 /nfs/dbraw/zinc/67/06/78/560670678.db2.gz OVGAKSPQEZKNQF-HTZJYPRQSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 ZINC000409072827 560673470 /nfs/dbraw/zinc/67/34/70/560673470.db2.gz SQKNWTGXSALXDK-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1cccc(N2CC[NH+](CCCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000005798969 568454097 /nfs/dbraw/zinc/45/40/97/568454097.db2.gz BVHNQFXFFGHUGR-UHFFFAOYSA-N 1 0 413.521 3.957 40 0 HHABRO COc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075120 568473910 /nfs/dbraw/zinc/47/39/10/568473910.db2.gz MXUHOXLQDMJTRC-AWEZNQCLSA-N 1 0 413.345 3.641 40 0 HHABRO Cc1cccc(-c2noc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599529 568520003 /nfs/dbraw/zinc/52/00/03/568520003.db2.gz ZAQNYSTUALQUMO-IBGZPJMESA-N 1 0 408.477 3.713 40 0 HHABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccccn1 ZINC000223526105 568550939 /nfs/dbraw/zinc/55/09/39/568550939.db2.gz JMMSNTZUDIXRJQ-YADHBBJMSA-N 1 0 412.522 3.835 40 0 HHABRO COc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000224538781 568584144 /nfs/dbraw/zinc/58/41/44/568584144.db2.gz RMUPNCMYYYILBS-UHFFFAOYSA-N 1 0 402.560 3.776 40 0 HHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(I)c1 ZINC000224964588 568606444 /nfs/dbraw/zinc/60/64/44/568606444.db2.gz LSCNZJWJSTVQML-MRXNPFEDSA-N 1 0 400.304 3.676 40 0 HHABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000225437705 568637749 /nfs/dbraw/zinc/63/77/49/568637749.db2.gz DMSBZQYATAPGTO-UHFFFAOYSA-N 1 0 402.608 3.721 40 0 HHABRO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225695931 568665364 /nfs/dbraw/zinc/66/53/64/568665364.db2.gz ZTJABCVKLRSNRQ-NRFANRHFSA-N 1 0 410.533 3.902 40 0 HHABRO Cc1noc(CCC(=O)N2CCC(c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)CC2)n1 ZINC000257228398 568784611 /nfs/dbraw/zinc/78/46/11/568784611.db2.gz FTQWLJJZGXUXOC-UHFFFAOYSA-N 1 0 424.480 3.698 40 0 HHABRO O=C(Nc1cc(CCC2CC[NH+](Cc3cccnc3)CC2)ccn1)c1ccccn1 ZINC000257229884 568784909 /nfs/dbraw/zinc/78/49/09/568784909.db2.gz FZWDCZQTUMCRCW-UHFFFAOYSA-N 1 0 401.514 3.969 40 0 HHABRO COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1C[NH+](C)C ZINC000257297332 568803505 /nfs/dbraw/zinc/80/35/05/568803505.db2.gz RGUQBSINGGCKFH-ZZNUNNEKSA-N 1 0 400.563 3.775 40 0 HHABRO COc1c(C)cccc1CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(C)=O)C2)ccn1 ZINC000257299169 568804130 /nfs/dbraw/zinc/80/41/30/568804130.db2.gz ROZPQWSKHYMGBU-LJQANCHMSA-N 1 0 405.502 3.737 40 0 HHABRO CN(C(=O)C1(Cc2ccc(-c3ccccn3)cc2)CCOCC1)C1CC[NH+](C)CC1 ZINC000257329345 568812831 /nfs/dbraw/zinc/81/28/31/568812831.db2.gz XJMCQWICEPXYQE-UHFFFAOYSA-N 1 0 407.558 3.641 40 0 HHABRO COc1cccc(Nc2cc(C)nc([C@@H]3CC[N@@H+](C4CCN(C(C)=O)CC4)C3)c2)c1 ZINC000257335213 568814927 /nfs/dbraw/zinc/81/49/27/568814927.db2.gz YJDQAUKKLOJRSY-LJQANCHMSA-N 1 0 408.546 3.942 40 0 HHABRO CN(C)C(=O)c1sc2nc([C@]3(C)CCC[N@H+](Cc4ccccn4)C3)ccc2c1N ZINC000257341614 568816583 /nfs/dbraw/zinc/81/65/83/568816583.db2.gz ZLBQIRTZCRAIGG-JOCHJYFZSA-N 1 0 409.559 3.529 40 0 HHABRO COc1ncccc1C[N@@H+]1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306124398 568887423 /nfs/dbraw/zinc/88/74/23/568887423.db2.gz BOOGIPSOMOCOHP-IBGZPJMESA-N 1 0 400.486 3.575 40 0 HHABRO c1csc(-c2cccc(C[N@@H+]3CC[C@]4(C3)COCc3cnc(NC5CC5)nc34)n2)c1 ZINC000306130277 568892771 /nfs/dbraw/zinc/89/27/71/568892771.db2.gz JAXVLWAUCRNTEW-QHCPKHFHSA-N 1 0 419.554 3.848 40 0 HHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccc3F)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306131376 568893724 /nfs/dbraw/zinc/89/37/24/568893724.db2.gz KCUFCLVHQPOPAK-YKSBVNFPSA-N 1 0 410.537 3.831 40 0 HHABRO CCc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cc1 ZINC000306142870 568904586 /nfs/dbraw/zinc/90/45/86/568904586.db2.gz XMZVYXFSBSRKJH-OALUTQOASA-N 1 0 419.504 3.536 40 0 HHABRO Cc1cc(C)cc(C[N@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306143835 568905196 /nfs/dbraw/zinc/90/51/96/568905196.db2.gz YNTUYJORKKYCFO-DEOSSOPVSA-N 1 0 412.541 3.897 40 0 HHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144078 568905293 /nfs/dbraw/zinc/90/52/93/568905293.db2.gz YVQJQAJXLGKXFQ-QPPBQGQZSA-N 1 0 410.537 3.831 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccn2)n1 ZINC000328981245 568971207 /nfs/dbraw/zinc/97/12/07/568971207.db2.gz GTPBXKGADZHTSN-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2cccnc2)n1 ZINC000329002323 568972258 /nfs/dbraw/zinc/97/22/58/568972258.db2.gz KHMHHHCPMUEPBJ-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329007559 568972309 /nfs/dbraw/zinc/97/23/09/568972309.db2.gz LKMNANLIPAYTTH-QGZVFWFLSA-N 1 0 410.440 3.675 40 0 HHABRO Cc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329013998 568972522 /nfs/dbraw/zinc/97/25/22/568972522.db2.gz MTIKVFJBWDRHDD-QGZVFWFLSA-N 1 0 410.440 3.675 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccncc2)n1 ZINC000329028581 568973572 /nfs/dbraw/zinc/97/35/72/568973572.db2.gz PVWJMMONIKYCCR-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(NCCCO)[nH+]1 ZINC000329053213 568974776 /nfs/dbraw/zinc/97/47/76/568974776.db2.gz VERGSCFELOEHPL-UHFFFAOYSA-N 1 0 405.340 3.720 40 0 HHABRO Cc1ccc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329064351 568975374 /nfs/dbraw/zinc/97/53/74/568975374.db2.gz XJMHLXMGQIPCSG-UHFFFAOYSA-N 1 0 421.389 3.774 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccncc2)n1 ZINC000329072169 568975998 /nfs/dbraw/zinc/97/59/98/568975998.db2.gz ZVJGPXNSHQSHMN-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO COc1ccccc1N1CC[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000026781038 569047781 /nfs/dbraw/zinc/04/77/81/569047781.db2.gz HZLDQCXPYGXAMB-KBWCOIMZSA-N 1 0 404.595 3.800 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000012157772 569344665 /nfs/dbraw/zinc/34/46/65/569344665.db2.gz DZBKPGVPPVYZQS-WIYYLYMNSA-N 1 0 422.554 3.930 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000019348961 569345450 /nfs/dbraw/zinc/34/54/50/569345450.db2.gz ZZRRMPGGAFROFJ-AUSIDOKSSA-N 1 0 404.489 3.999 40 0 HHABRO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)C2CCCCC2)n1 ZINC000019697385 569346862 /nfs/dbraw/zinc/34/68/62/569346862.db2.gz MXFWJFGIGBSMOS-IBGZPJMESA-N 1 0 407.562 3.799 40 0 HHABRO CNC(=O)c1[nH]c(C2CC[NH+](CCc3ccccc3)CC2)nc1-c1ccc(OC)cc1 ZINC000019698857 569346893 /nfs/dbraw/zinc/34/68/93/569346893.db2.gz JHDKRNZWTDSAKG-UHFFFAOYSA-N 1 0 418.541 3.867 40 0 HHABRO Cn1cc(C[NH+]2CCC(Cc3ccc(-c4ccccc4F)cc3)(C(N)=O)CC2)cn1 ZINC000019700506 569347188 /nfs/dbraw/zinc/34/71/88/569347188.db2.gz VBMINVFSPCYQGY-UHFFFAOYSA-N 1 0 406.505 3.536 40 0 HHABRO Cc1nn(C)cc1C[N@@H+]1[C@@H]2CCCC(=O)N[C@H]2C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000019713947 569348514 /nfs/dbraw/zinc/34/85/14/569348514.db2.gz QMOGHIFGRJNEJV-OTWHNJEPSA-N 1 0 406.452 3.732 40 0 HHABRO CC1=C[C@@H](CNC(=O)NC2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+](C)C ZINC000030880312 291248732 /nfs/dbraw/zinc/24/87/32/291248732.db2.gz UQVYFJVJUWEYSR-ONTIZHBOSA-N 1 0 420.642 3.541 40 0 biogenic,in-vitro HHABRO CC1=C[C@@H](C[NH2+]CCN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883527 291249026 /nfs/dbraw/zinc/24/90/26/291249026.db2.gz MHNPUUJSWIQIJL-ACRUOGEOSA-N 1 0 418.626 3.686 40 0 biogenic,in-vitro HHABRO CN(Cc1nc(C2(O)CC[NH+](Cc3ccccc3)CC2)cs1)Cc1cccnc1 ZINC000225475556 291250459 /nfs/dbraw/zinc/25/04/59/291250459.db2.gz QETXRRFOVLIYNG-UHFFFAOYSA-N 1 0 408.571 3.654 40 0 biogenic,in-vitro HHABRO O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H]([NH2+]CC3CC3)CO[C@H]12 ZINC000004236488 291259240 /nfs/dbraw/zinc/25/92/40/291259240.db2.gz WCYABBMEONBRMB-DXBBTUNJSA-N 1 0 410.470 3.562 40 0 biogenic,in-vitro HHABRO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000006044515 132309028 /nfs/dbraw/zinc/30/90/28/132309028.db2.gz CIDQJACQZSIFGO-UHFFFAOYSA-N 1 0 402.951 3.527 40 0 HHABRO Cc1ccc2nc(C)c(CC[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)c(=O)n2c1 ZINC000000537997 557018419 /nfs/dbraw/zinc/01/84/19/557018419.db2.gz AXQRPYKSPHUOGZ-UHFFFAOYSA-N 1 0 407.489 3.588 40 0 investigational HHABRO O=C(CCC[NH+]1CCC2(CC1)OC(=O)N(c1ccc(F)cc1)C2=O)c1ccccc1 ZINC000001669001 557279734 /nfs/dbraw/zinc/27/97/34/557279734.db2.gz RUDMAZOYBCONRK-UHFFFAOYSA-N 1 0 410.445 3.807 40 0 HHABRO C[C@](Cc1ccc2c(c1)OCO2)([NH2+]Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000035461929 557567810 /nfs/dbraw/zinc/56/78/10/557567810.db2.gz PZMNBZVYCGDJGD-RUZDIDTESA-N 1 0 402.494 3.823 40 0 HHABRO COc1ccc(CC[N@H+](C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)cc1OC ZINC000035262655 557657594 /nfs/dbraw/zinc/65/75/94/557657594.db2.gz MKHWKJZDCVYFJF-NJDAHSKKSA-N 1 0 403.563 3.548 40 0 HHABRO Cc1ccc(Cl)cc1N1CCN([C@@H](c2nnnn2Cc2ccco2)C(C)C)CC1 ZINC000035289945 557673252 /nfs/dbraw/zinc/67/32/52/557673252.db2.gz QVXGQHCGKOSQTB-HXUWFJFHSA-N 1 0 414.941 3.796 40 0 HHABRO O=C(COc1ccc(Br)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011867 557769607 /nfs/dbraw/zinc/76/96/07/557769607.db2.gz DGJCIVAXOKEVBA-UHFFFAOYSA-N 1 0 403.320 3.740 40 0 HHABRO COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+](CC5CC5)C4)nc32)c1 ZINC000019741423 558262049 /nfs/dbraw/zinc/26/20/49/558262049.db2.gz LQRHSMRMYMAHJW-FQEVSTJZSA-N 1 0 420.557 3.862 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cc1 ZINC000019741477 558262054 /nfs/dbraw/zinc/26/20/54/558262054.db2.gz ARAYZCKCSXBHNE-HXUWFJFHSA-N 1 0 420.557 3.862 40 0 HHABRO C[C@H](NC(=O)CC1CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1)c1ccccc1 ZINC000019748613 558267928 /nfs/dbraw/zinc/26/79/28/558267928.db2.gz HSGGJJUQWBAQCL-IBGZPJMESA-N 1 0 407.562 3.556 40 0 HHABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@H+](CC(C)(C)C)C3)nc2C)c1 ZINC000019763426 558277429 /nfs/dbraw/zinc/27/74/29/558277429.db2.gz LVJMJOWVIONDIU-LJQANCHMSA-N 1 0 410.562 3.949 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3cc(C)sc3C)CC1)C[C@H]2O ZINC000012241598 558360358 /nfs/dbraw/zinc/36/03/58/558360358.db2.gz PFTZKXRLFBVXKN-UXHICEINSA-N 1 0 403.544 3.758 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3cn(C)c4ccccc34)CC1)C[C@@H]2O ZINC000012293217 558366210 /nfs/dbraw/zinc/36/62/10/558366210.db2.gz LDRJKFZBZHDVFR-XZOQPEGZSA-N 1 0 422.525 3.571 40 0 HHABRO CCn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c2ccccc21 ZINC000012293288 558366409 /nfs/dbraw/zinc/36/64/09/558366409.db2.gz JFUABABIVMGFJS-XZOQPEGZSA-N 1 0 422.525 3.751 40 0 HHABRO Cn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)c2ccccc21 ZINC000012329146 558383844 /nfs/dbraw/zinc/38/38/44/558383844.db2.gz QOLZAFMGBZCIHW-FGZHOGPDSA-N 1 0 410.489 3.702 40 0 HHABRO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000012365819 558388147 /nfs/dbraw/zinc/38/81/47/558388147.db2.gz ITGGQNYEZHBJLS-DNVCBOLYSA-N 1 0 403.548 3.640 40 0 HHABRO CCC1CC[NH+](CCC2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000015080413 558718768 /nfs/dbraw/zinc/71/87/68/558718768.db2.gz QVDXEXLOCQBRJT-JOCHJYFZSA-N 1 0 415.553 3.682 40 0 HHABRO Cc1cc(Br)c2c(c1)C(=O)C(CN1CCCC1)(C[NH+]1CCCC1)CO2 ZINC000033897121 558772089 /nfs/dbraw/zinc/77/20/89/558772089.db2.gz DXIMJCIQTZJNBI-UHFFFAOYSA-N 1 0 407.352 3.511 40 0 HHABRO COc1ccc(OC)c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccco2)c1 ZINC000036743736 558802486 /nfs/dbraw/zinc/80/24/86/558802486.db2.gz KVJXGLXPACOOIO-LEWJYISDSA-N 1 0 406.482 3.695 40 0 HHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2)C1 ZINC000038831713 558816824 /nfs/dbraw/zinc/81/68/24/558816824.db2.gz JNWJXDMZEQBVJP-OAQYLSRUSA-N 1 0 421.585 3.681 40 0 HHABRO O=C(C1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014677 558836759 /nfs/dbraw/zinc/83/67/59/558836759.db2.gz IDCANCLTPTXLHW-SFHVURJKSA-N 1 0 412.578 3.769 40 0 HHABRO C[NH+]1CCC(N(C[C@@H]2CCCO2)C(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000019082404 558840179 /nfs/dbraw/zinc/84/01/79/558840179.db2.gz SWUKBEDKZRBBQR-WMZOPIPTSA-N 1 0 403.567 3.541 40 0 HHABRO Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)C[NH+]3CCCCC3)cc2)on1 ZINC000019123870 558844224 /nfs/dbraw/zinc/84/42/24/558844224.db2.gz WVUIFWHZOKSOHI-UHFFFAOYSA-N 1 0 405.502 3.518 40 0 HHABRO Cc1ccc(-c2ccccc2C[C@H]2C[N@H+](Cc3cnc(C)nc3)CCNC2=O)c(C)c1 ZINC000019132893 558845855 /nfs/dbraw/zinc/84/58/55/558845855.db2.gz LHJYFYXBFURBAX-QHCPKHFHSA-N 1 0 414.553 3.860 40 0 HHABRO COc1cccc([C@@H]2C[N@H+](Cc3nc4ccccc4n3C)C[C@]23CCCCC(=O)N3)c1 ZINC000019289955 558862341 /nfs/dbraw/zinc/86/23/41/558862341.db2.gz OVCJBIKRXUXHII-NBGIEHNGSA-N 1 0 418.541 3.610 40 0 HHABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000019291417 558863921 /nfs/dbraw/zinc/86/39/21/558863921.db2.gz RJHGTXJRLJEKCM-OFFJZUQKSA-N 1 0 418.541 3.514 40 0 HHABRO Fc1cccc(Nc2nc(-c3ccncc3)nc3c2C[N@H+](C[C@@H]2CCOC2)CC3)c1 ZINC000019294020 558865670 /nfs/dbraw/zinc/86/56/70/558865670.db2.gz GEXGWXZQMAYABJ-INIZCTEOSA-N 1 0 405.477 3.816 40 0 HHABRO CCCSc1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019525211 558906511 /nfs/dbraw/zinc/90/65/11/558906511.db2.gz WCGFWQJEJMEXRF-KRWDZBQOSA-N 1 0 422.558 3.504 40 0 HHABRO CCN(CC)c1ncc2c(cc(C3CC[NH+](Cc4cccc(C)n4)CC3)[nH]c2=O)n1 ZINC000019526557 558907828 /nfs/dbraw/zinc/90/78/28/558907828.db2.gz YIGIWQCGOYGEAQ-UHFFFAOYSA-N 1 0 406.534 3.660 40 0 HHABRO CCN1CC[N@H+](Cc2ccccn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527717 558908930 /nfs/dbraw/zinc/90/89/30/558908930.db2.gz KOSRZZFFKHLLOO-QFIPXVFZSA-N 1 0 400.526 3.667 40 0 HHABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccnc2)C1 ZINC000019529172 558910795 /nfs/dbraw/zinc/91/07/95/558910795.db2.gz PRKNGJUCDIYREH-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO COc1cc2c(cc1C[N@@H+]1C[C@@H](c3cccnc3)[C@]3(C1)CCCCC(=O)N3)CCCC2 ZINC000019550621 558915219 /nfs/dbraw/zinc/91/52/19/558915219.db2.gz LQNWQXKESHMPPZ-JYFHCDHNSA-N 1 0 419.569 3.997 40 0 HHABRO COc1ccc(OC)c(C[NH+]2CCC([C@@H](NC(=O)C3CC3)c3ccccn3)CC2)c1 ZINC000019551458 558915646 /nfs/dbraw/zinc/91/56/46/558915646.db2.gz STHOONHHKPTDFJ-HSZRJFAPSA-N 1 0 409.530 3.578 40 0 HHABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)c3ccccn3)c3ccccn3)CC2)cc1 ZINC000019554973 558917968 /nfs/dbraw/zinc/91/79/68/558917968.db2.gz YBDGEJHAFQGZOX-DEOSSOPVSA-N 1 0 416.525 3.869 40 0 HHABRO Cc1nc(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)nc(N2CCOCC2)c1C ZINC000019555301 558918226 /nfs/dbraw/zinc/91/82/26/558918226.db2.gz DTQYXSHGGIKXGX-UHFFFAOYSA-N 1 0 420.557 3.585 40 0 HHABRO COc1ccccc1C[N@@H+]1CC[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019570022 558928985 /nfs/dbraw/zinc/92/89/85/558928985.db2.gz HCQJXMHRFXTDBK-VWLOTQADSA-N 1 0 401.510 3.677 40 0 HHABRO Cc1noc(C)c1Cc1ccc(C(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)o1 ZINC000019581024 558936662 /nfs/dbraw/zinc/93/66/62/558936662.db2.gz SQAITAPEYLLWQQ-UHFFFAOYSA-N 1 0 408.502 3.607 40 0 HHABRO C[NH+](C)CCNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 ZINC000019582883 558937584 /nfs/dbraw/zinc/93/75/84/558937584.db2.gz MPHOBAINRBQEPN-UHFFFAOYSA-N 1 0 402.485 3.649 40 0 HHABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2ccncc2)CC1 ZINC000072345160 558941671 /nfs/dbraw/zinc/94/16/71/558941671.db2.gz KALWJBGQESKYJN-UHFFFAOYSA-N 1 0 400.526 3.715 40 0 HHABRO COc1ccc(CN(C(=O)Cc2ccc3nc(N)sc3c2)C2CC[NH+](C)CC2)cc1 ZINC000019654811 558948256 /nfs/dbraw/zinc/94/82/56/558948256.db2.gz XRASAPROKTXIRK-UHFFFAOYSA-N 1 0 424.570 3.553 40 0 HHABRO CC(C)c1ncc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)cn1 ZINC000072352293 558948505 /nfs/dbraw/zinc/94/85/05/558948505.db2.gz RNSSOWJLRSKNLS-QGZVFWFLSA-N 1 0 424.570 3.526 40 0 HHABRO COc1cc(C)ccc1C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000072352274 558948541 /nfs/dbraw/zinc/94/85/41/558948541.db2.gz RBPNYYWIGWMTDD-SFHVURJKSA-N 1 0 424.566 3.930 40 0 HHABRO O=C(C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)NCCc1c[nH]c2ccccc12 ZINC000019656871 558949418 /nfs/dbraw/zinc/94/94/18/558949418.db2.gz UQGUFZSIBXHBOR-SFHVURJKSA-N 1 0 415.541 3.658 40 0 HHABRO Cc1nccn1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658111 558949977 /nfs/dbraw/zinc/94/99/77/558949977.db2.gz AEKPHHNYPVFFGY-LJQANCHMSA-N 1 0 405.502 3.730 40 0 HHABRO O=C(C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1ccnc1 ZINC000019658484 558950396 /nfs/dbraw/zinc/95/03/96/558950396.db2.gz CCKBUXMRQZCPAY-SFHVURJKSA-N 1 0 414.513 3.642 40 0 HHABRO COc1ccccc1Cc1cc(C)nc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072353815 558950859 /nfs/dbraw/zinc/95/08/59/558950859.db2.gz OOJNBWWDDUBPHI-QFIPXVFZSA-N 1 0 407.558 3.791 40 0 HHABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000072354656 558951788 /nfs/dbraw/zinc/95/17/88/558951788.db2.gz XWTZEPTVUVKBRM-IBGZPJMESA-N 1 0 407.905 3.815 40 0 HHABRO CCOc1ccc2c(c1)c(C(=O)NC1CC[NH+](Cc3ccccn3)CC1)c(C)n2C ZINC000019661904 558952941 /nfs/dbraw/zinc/95/29/41/558952941.db2.gz SQMVIJKLKKGDFZ-UHFFFAOYSA-N 1 0 406.530 3.675 40 0 HHABRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1C[NH+]1CCCC1 ZINC000019662416 558953413 /nfs/dbraw/zinc/95/34/13/558953413.db2.gz XBVKNJPXAIEKKJ-UHFFFAOYSA-N 1 0 400.906 3.680 40 0 HHABRO CCn1cc(-c2cc(C(=O)N3CCC(CC[NH+](C)C)CC3)c3ccccc3n2)cn1 ZINC000019664282 558954845 /nfs/dbraw/zinc/95/48/45/558954845.db2.gz QMNFMYYCMVFFOM-UHFFFAOYSA-N 1 0 405.546 3.922 40 0 HHABRO CC(=O)n1cc(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072361017 558955765 /nfs/dbraw/zinc/95/57/65/558955765.db2.gz VJAYFFIJKIDZRP-OAHLLOKOSA-N 1 0 418.522 4.000 40 0 HHABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1Cc1cccnc1N(C)C ZINC000072370314 558956862 /nfs/dbraw/zinc/95/68/62/558956862.db2.gz ZKXNQXKSIKYVLJ-QGZVFWFLSA-N 1 0 408.571 3.929 40 0 HHABRO COc1ccc(C[NH+]2CCC([C@H]3CCCCN(C)C3=O)CC2)cc1Cn1ccnc1C ZINC000072372048 558959510 /nfs/dbraw/zinc/95/95/10/558959510.db2.gz ZHHJIJUBXCAKLS-HSZRJFAPSA-N 1 0 424.589 3.719 40 0 HHABRO COCCc1ncc(C[NH+]2CCC(c3ccc(Nc4ccccn4)cn3)CC2)cn1 ZINC000072374321 558961770 /nfs/dbraw/zinc/96/17/70/558961770.db2.gz WMQHITIGFNDFFM-UHFFFAOYSA-N 1 0 404.518 3.579 40 0 HHABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)c2)n1 ZINC000072374913 558962970 /nfs/dbraw/zinc/96/29/70/558962970.db2.gz RSVMLBMRMGFLSO-LJQANCHMSA-N 1 0 416.529 3.884 40 0 HHABRO Cc1c(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)cnn1C ZINC000019695139 558963745 /nfs/dbraw/zinc/96/37/45/558963745.db2.gz YNHBKQIXKXZXKA-UHFFFAOYSA-N 1 0 408.525 3.770 40 0 HHABRO CNc1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)Cc2coc3c2ccc(C)c3C)n1 ZINC000019710016 558971824 /nfs/dbraw/zinc/97/18/24/558971824.db2.gz JPYMFOCIZUBICV-KRWDZBQOSA-N 1 0 421.545 3.549 40 0 HHABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393083 558972768 /nfs/dbraw/zinc/97/27/68/558972768.db2.gz OYWOELBBDPNZCE-LJQANCHMSA-N 1 0 420.513 3.619 40 0 HHABRO Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000072395155 558974044 /nfs/dbraw/zinc/97/40/44/558974044.db2.gz HQUABUQSWVRAPV-PZJWPPBQSA-N 1 0 417.962 3.550 40 0 HHABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@H+](Cc4cccnc4)C3)on2)cc1 ZINC000072395953 558975040 /nfs/dbraw/zinc/97/50/40/558975040.db2.gz FJZLDUUKIFTLPO-VWLOTQADSA-N 1 0 418.541 3.958 40 0 HHABRO Cc1nn(C)cc1-c1cc(C(=O)NC(C)(C)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000019716522 558978487 /nfs/dbraw/zinc/97/84/87/558978487.db2.gz PSLZXZLZPBUMSO-UHFFFAOYSA-N 1 0 405.546 3.938 40 0 HHABRO CN(C)c1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3C[C@H]3CCCO3)C2)c2ccccc21 ZINC000585101943 559025113 /nfs/dbraw/zinc/02/51/13/559025113.db2.gz NBHQEGVWMSRCNP-CLOONOSVSA-N 1 0 407.558 3.765 40 0 HHABRO O=C(Cc1ccccc1)N1CCC2(C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000585113443 559031251 /nfs/dbraw/zinc/03/12/51/559031251.db2.gz HZBBVSFZDAXYDG-SANMLTNESA-N 1 0 404.554 3.760 40 0 HHABRO COCCN(C)c1nc(C2CC[NH+](Cc3ccc(C)s3)CC2)cc2c1ncn2C ZINC000096099962 559095197 /nfs/dbraw/zinc/09/51/97/559095197.db2.gz BBERDLSNUMBALZ-UHFFFAOYSA-N 1 0 413.591 3.800 40 0 HHABRO Cc1cccc(C(=O)N2Cc3ccccc3C3(CC[NH+](C4CCOCC4)CC3)C2)n1 ZINC000096242469 559104174 /nfs/dbraw/zinc/10/41/74/559104174.db2.gz DLZDNQSNRZBKJY-UHFFFAOYSA-N 1 0 405.542 3.559 40 0 HHABRO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245601 559105174 /nfs/dbraw/zinc/10/51/74/559105174.db2.gz XURVPRVMHGUASP-SZPZYZBQSA-N 1 0 404.558 3.747 40 0 HHABRO CC(C)CC[NH+]1CCC2(CC1)O[C@@H](C(=O)Nc1ccc(Cl)cc1)Cn1ccnc12 ZINC000096262978 559106918 /nfs/dbraw/zinc/10/69/18/559106918.db2.gz MLTIRXVQUQVHGU-LJQANCHMSA-N 1 0 416.953 3.911 40 0 HHABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000585262496 559111001 /nfs/dbraw/zinc/11/10/01/559111001.db2.gz GQAFRSVQNJLYOZ-NRFANRHFSA-N 1 0 408.498 3.541 40 0 HHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC000096625806 559111751 /nfs/dbraw/zinc/11/17/51/559111751.db2.gz NMUAJHDZWPFNBO-UHFFFAOYSA-N 1 0 402.922 3.886 40 0 HHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000096625888 559111778 /nfs/dbraw/zinc/11/17/78/559111778.db2.gz SYNFSOTXGKSMFP-UHFFFAOYSA-N 1 0 402.922 3.886 40 0 HHABRO CC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282368 559119985 /nfs/dbraw/zinc/11/99/85/559119985.db2.gz IJMLLWQHDZRLPH-XMMPIXPASA-N 1 0 402.579 3.546 40 0 HHABRO CC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287218 559122183 /nfs/dbraw/zinc/12/21/83/559122183.db2.gz LBANCGBQMQQYJQ-DEOSSOPVSA-N 1 0 402.579 3.546 40 0 HHABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585287872 559123145 /nfs/dbraw/zinc/12/31/45/559123145.db2.gz UELUQDVYKZBEHR-TZBSWOFLSA-N 1 0 416.606 3.874 40 0 HHABRO COc1cc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc(OC)c1OC ZINC000585290634 559123245 /nfs/dbraw/zinc/12/32/45/559123245.db2.gz YVWXOQCGFNLWCY-WAOWUJCRSA-N 1 0 421.921 3.816 40 0 HHABRO O=C(Cc1ccc(F)cc1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072353558 559185728 /nfs/dbraw/zinc/18/57/28/559185728.db2.gz WSZNGJWYPIGWKY-QHCPKHFHSA-N 1 0 417.528 3.967 40 0 HHABRO COc1ccccc1-c1cccc(C[C@@]2(C(=O)N[C@H]3CCC[N@H+](C)C3)CCCO2)c1 ZINC000257262819 559284908 /nfs/dbraw/zinc/28/49/08/559284908.db2.gz LNBGYRWAOPEASZ-SQJMNOBHSA-N 1 0 408.542 3.664 40 0 HHABRO COc1ccccc1-c1cccc(CC2(C(=O)NCC[NH+]3CCCC3)CCOCC2)c1 ZINC000257274180 559285241 /nfs/dbraw/zinc/28/52/41/559285241.db2.gz NJWNZPNGDFRCKB-UHFFFAOYSA-N 1 0 422.569 3.914 40 0 HHABRO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCCC[NH+](C)C)CCCO2)c1 ZINC000257290795 559285749 /nfs/dbraw/zinc/28/57/49/559285749.db2.gz QEIYGFVSFGOPRG-VWLOTQADSA-N 1 0 410.558 3.912 40 0 HHABRO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@H+](C3CCC(F)(F)CC3)C[C@H]21 ZINC000514289236 560033105 /nfs/dbraw/zinc/03/31/05/560033105.db2.gz GNIPNDDFRALIAC-CTNGQTDRSA-N 1 0 413.468 3.844 40 0 biogenic,in-vitro HHABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004133777 560600767 /nfs/dbraw/zinc/60/07/67/560600767.db2.gz HKDIOKKPHWRODN-UHFFFAOYSA-N 1 0 416.635 3.963 40 0 HHABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000004231318 560603084 /nfs/dbraw/zinc/60/30/84/560603084.db2.gz OBJINHAQXVVVHU-UHFFFAOYSA-N 1 0 410.493 3.961 40 0 HHABRO COc1ccc(CC[NH2+]CC(=O)Nc2ccccc2N2CCCCCC2)cc1OC ZINC000004895898 560611176 /nfs/dbraw/zinc/61/11/76/560611176.db2.gz ALEMLUNYYFRMIJ-UHFFFAOYSA-N 1 0 411.546 3.855 40 0 HHABRO COc1ccccc1CNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408827780 560645658 /nfs/dbraw/zinc/64/56/58/560645658.db2.gz GYRIALRDOQTNCD-UHFFFAOYSA-N 1 0 415.537 3.947 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409058450 560670693 /nfs/dbraw/zinc/67/06/93/560670693.db2.gz OVGAKSPQEZKNQF-GZUHYISBSA-O 1 0 412.513 3.628 40 0 HHABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000409055732 560671625 /nfs/dbraw/zinc/67/16/25/560671625.db2.gz ATQOFSOQRAXPLR-CLCXKLDUSA-O 1 0 412.513 3.826 40 0 HHABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409060996 560672664 /nfs/dbraw/zinc/67/26/64/560672664.db2.gz BGURUKGTRUOSGN-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000015357097 560854622 /nfs/dbraw/zinc/85/46/22/560854622.db2.gz GGOUFVKPCKWYEH-UHFFFAOYSA-N 1 0 423.376 3.914 40 0 HHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+][C@@H](C)[C@H](O)c3ccccc3)o2)c1 ZINC000022108587 568475325 /nfs/dbraw/zinc/47/53/25/568475325.db2.gz WVEWBMQVSGHADS-NYHFZMIOSA-N 1 0 423.465 3.732 40 0 HHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)cc1I ZINC000225025714 568609839 /nfs/dbraw/zinc/60/98/39/568609839.db2.gz QUXMOXBMULDLNN-HNNXBMFYSA-N 1 0 414.331 3.984 40 0 HHABRO COc1cc(C)c(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000225472100 568641155 /nfs/dbraw/zinc/64/11/55/568641155.db2.gz JQLZOBNGRYTLRZ-UHFFFAOYSA-N 1 0 404.532 3.586 40 0 HHABRO CC(=O)N[C@]12CN(Cc3cc4ccccc4s3)[C@H](c3ccccc3)[C@H]1C[NH2+]CC2 ZINC000257246644 568789329 /nfs/dbraw/zinc/78/93/29/568789329.db2.gz IVBPADYINZGFLN-GMKZXUHWSA-N 1 0 405.567 3.943 40 0 HHABRO O=C(C[N@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CCCC1 ZINC000257319880 568810492 /nfs/dbraw/zinc/81/04/92/568810492.db2.gz VUKUTJUCYXUGMI-AWEZNQCLSA-N 1 0 408.424 3.604 40 0 HHABRO O=C(C[N@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CCCC1 ZINC000257319881 568810517 /nfs/dbraw/zinc/81/05/17/568810517.db2.gz VUKUTJUCYXUGMI-CQSZACIVSA-N 1 0 408.424 3.604 40 0 HHABRO COc1cccc(C[NH+]2CCC3(CC2)Nc2ccc(OC)nc2-n2c(C)ncc23)c1 ZINC000306126241 568888799 /nfs/dbraw/zinc/88/87/99/568888799.db2.gz DQONEELSEXMCRA-UHFFFAOYSA-N 1 0 405.502 3.510 40 0 HHABRO CCNC(=O)c1ccc2n1-c1ncccc1NC21CC[NH+](Cc2ccccc2C)CC1 ZINC000306126116 568888869 /nfs/dbraw/zinc/88/88/69/568888869.db2.gz DNIKMPAJLRBPMA-UHFFFAOYSA-N 1 0 415.541 3.847 40 0 HHABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306131328 568893528 /nfs/dbraw/zinc/89/35/28/568893528.db2.gz KCAHHJJLPOIXNZ-VWNXMTODSA-N 1 0 419.550 3.540 40 0 HHABRO COc1ccc(C[NH+]2CCC(n3cnc4ncc(-c5ccc(F)nc5)nc43)CC2)cc1 ZINC000306135498 568897529 /nfs/dbraw/zinc/89/75/29/568897529.db2.gz OTBPOTCLCOOFFL-UHFFFAOYSA-N 1 0 418.476 3.873 40 0 HHABRO Cc1ncsc1C[NH+]1CCC2(CC1)c1ccccc1N(CC(C)C)S2(=O)=O ZINC000306141459 568902952 /nfs/dbraw/zinc/90/29/52/568902952.db2.gz VWVDIFRMOJGPSI-UHFFFAOYSA-N 1 0 405.589 3.749 40 0 HHABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306143362 568904911 /nfs/dbraw/zinc/90/49/11/568904911.db2.gz YAEMZNQHDNWWFF-QHCPKHFHSA-N 1 0 407.445 3.593 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccccc2)n1 ZINC000328994410 568971758 /nfs/dbraw/zinc/97/17/58/568971758.db2.gz JDEGFGRINGFTLW-UHFFFAOYSA-N 1 0 401.436 3.512 40 0 HHABRO CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329043047 568974380 /nfs/dbraw/zinc/97/43/80/568974380.db2.gz SQEJRPGQQAGEIX-UHFFFAOYSA-N 1 0 418.383 3.899 40 0 HHABRO Clc1cc(Br)ccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228923163 569284361 /nfs/dbraw/zinc/28/43/61/569284361.db2.gz LNYOCEFIQPAMPX-UHFFFAOYSA-N 1 0 407.703 3.910 40 0 HHABRO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000247946397 569315853 /nfs/dbraw/zinc/31/58/53/569315853.db2.gz WRCBTIFPQOLMCF-NTKDMRAZSA-N 1 0 411.546 3.505 40 0 HHABRO CSc1nnc([C@@H]2CCCN2C(=O)[C@H](c2ccccc2)[N@@H+]2CCCC[C@H]2C)n1C ZINC000248018159 569316011 /nfs/dbraw/zinc/31/60/11/569316011.db2.gz HBZOVRZEMGDEEB-NEWSRXKRSA-N 1 0 413.591 3.816 40 0 HHABRO CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248341457 569316793 /nfs/dbraw/zinc/31/67/93/569316793.db2.gz ZBQHRWZVSMTWRZ-HXOBKFHXSA-N 1 0 416.493 3.705 40 0 HHABRO Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000005986764 569329179 /nfs/dbraw/zinc/32/91/79/569329179.db2.gz XVPINXHCFZHIIS-UHFFFAOYSA-N 1 0 402.951 3.527 40 0 HHABRO CNC(=O)c1[nH]c(C2CC[NH+](CCc3ccccc3)CC2)nc1-c1ccc(F)cc1 ZINC000019698858 569346861 /nfs/dbraw/zinc/34/68/61/569346861.db2.gz DCGDABVEGSXDIX-UHFFFAOYSA-N 1 0 406.505 3.998 40 0 HHABRO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@@H+](Cc1cccc3ncccc13)C2 ZINC000019701570 569347351 /nfs/dbraw/zinc/34/73/51/569347351.db2.gz NMZLGZZMBRWVFN-LJQANCHMSA-N 1 0 415.472 3.846 40 0 HHABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000019702029 569347361 /nfs/dbraw/zinc/34/73/61/569347361.db2.gz SATDCDUSYWJIAA-GOSISDBHSA-N 1 0 409.555 3.705 40 0 HHABRO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)[nH+]1 ZINC000328973739 571306078 /nfs/dbraw/zinc/30/60/78/571306078.db2.gz FDICZWBALLZGEO-QGZVFWFLSA-N 1 0 405.340 4.157 40 0 HHABRO Cc1cc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)ccc1Br ZINC000329039107 571307729 /nfs/dbraw/zinc/30/77/29/571307729.db2.gz RVEUMSBRAPMMCQ-UHFFFAOYSA-N 1 0 404.356 4.532 40 0 HHABRO CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000020503253 575369857 /nfs/dbraw/zinc/36/98/57/575369857.db2.gz NWEQZCQCMXJXFM-FUHWJXTLSA-N 1 0 422.550 3.942 40 0 biogenic,in-vitro HHABRO CC(=O)Nc1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 ZINC000096296360 291247388 /nfs/dbraw/zinc/24/73/88/291247388.db2.gz XPALHBRDHQSRCG-FQEVSTJZSA-N 1 0 410.905 3.851 40 0 biogenic,in-vitro HHABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)Nc3nccs3)no2)cc1 ZINC000008623681 291254137 /nfs/dbraw/zinc/25/41/37/291254137.db2.gz QCTSUFDMROCFSP-HOTGVXAUSA-N 1 0 412.515 3.604 40 0 biogenic,in-vitro HHABRO O=C(Nc1ccccc1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298326 291259222 /nfs/dbraw/zinc/25/92/22/291259222.db2.gz GVJQUGKOTMFGIV-PMOQBDJRSA-N 1 0 407.562 3.750 40 0 biogenic,in-vitro HHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1OC ZINC000044851762 523935134 /nfs/dbraw/zinc/93/51/34/523935134.db2.gz DESFEVQWMIYWNA-UHFFFAOYSA-N 1 0 414.521 3.804 40 0 HHABRO COc1ccc2cc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)ccc2c1 ZINC000224346534 525636738 /nfs/dbraw/zinc/63/67/38/525636738.db2.gz ZPEYZJNLHQDWTN-UHFFFAOYSA-N 1 0 410.539 3.575 40 0 HHABRO CCn1cc(C[NH+]2CCC(c3nc(C)c4c(n3)N(C3CCCC3)C(=O)CC4)CC2)cn1 ZINC000019739307 536051475 /nfs/dbraw/zinc/05/14/75/536051475.db2.gz KODRBPONMNSNHZ-UHFFFAOYSA-N 1 0 422.577 3.603 40 0 HHABRO Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004131377 557517937 /nfs/dbraw/zinc/51/79/37/557517937.db2.gz MKNMRZNGDJBGPU-UHFFFAOYSA-N 1 0 422.598 3.665 40 0 HHABRO Cc1ccc(Cl)cc1N1CCN([C@H](c2nnnn2Cc2ccco2)C(C)C)CC1 ZINC000035289947 557673187 /nfs/dbraw/zinc/67/31/87/557673187.db2.gz QVXGQHCGKOSQTB-FQEVSTJZSA-N 1 0 414.941 3.796 40 0 HHABRO O=C(C[NH+]1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)N1CCCCC1 ZINC000019744110 558264724 /nfs/dbraw/zinc/26/47/24/558264724.db2.gz WQPMAHGPKDNSJI-HSZRJFAPSA-N 1 0 411.590 3.540 40 0 HHABRO Cc1nc(CC2CC[NH+](Cc3cccnc3N(C)C)CC2)cc(N2CCCCC2)n1 ZINC000019758947 558275455 /nfs/dbraw/zinc/27/54/55/558275455.db2.gz OUPJEQZUHDUJMO-UHFFFAOYSA-N 1 0 408.594 3.691 40 0 HHABRO Cc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)n1-c1cccnc1 ZINC000012089511 558324004 /nfs/dbraw/zinc/32/40/04/558324004.db2.gz LUJSDLVQXYJVTA-UHFFFAOYSA-N 1 0 412.497 3.605 40 0 HHABRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000012145135 558336254 /nfs/dbraw/zinc/33/62/54/558336254.db2.gz PRNQDKAEHRQJBA-QGZVFWFLSA-N 1 0 420.513 3.522 40 0 HHABRO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012186605 558345608 /nfs/dbraw/zinc/34/56/08/558345608.db2.gz KLXSBPJBUUNVLC-UHFFFAOYSA-N 1 0 415.946 3.652 40 0 HHABRO O=C(CN1CCC2(CC1)Nc1ccccc1C1=[NH+]CCCN12)Nc1ccccc1Cl ZINC000012233074 558358336 /nfs/dbraw/zinc/35/83/36/558358336.db2.gz DCXWKASQNLGSKB-UHFFFAOYSA-N 1 0 423.948 3.649 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCC4)CC1)C[C@H]2O ZINC000012330164 558385107 /nfs/dbraw/zinc/38/51/07/558385107.db2.gz SIHJWSCPLWQSJJ-PKTZIBPZSA-N 1 0 409.526 3.568 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCC4)CC1)C[C@@H]2O ZINC000012330155 558385184 /nfs/dbraw/zinc/38/51/84/558385184.db2.gz SIHJWSCPLWQSJJ-XZOQPEGZSA-N 1 0 409.526 3.568 40 0 HHABRO O=C(CC[NH+]1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1)c1ccccc1 ZINC000012407923 558398955 /nfs/dbraw/zinc/39/89/55/558398955.db2.gz YEQGGDDAPBLMOK-FUHWJXTLSA-N 1 0 407.440 3.551 40 0 HHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)C1 ZINC000030939913 558745397 /nfs/dbraw/zinc/74/53/97/558745397.db2.gz XATOCQYBIIDHRV-IBGZPJMESA-N 1 0 421.541 3.643 40 0 HHABRO Cc1ccc([C@H](CNC(=O)Cn2c(=O)oc3ccc(Cl)cc32)[NH+]2CCCC2)cc1 ZINC000035317049 558790011 /nfs/dbraw/zinc/79/00/11/558790011.db2.gz GAECZJSMNIOTLY-IBGZPJMESA-N 1 0 413.905 3.510 40 0 HHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc(CN4CCOCC4)c3)cc2)C1 ZINC000038831726 558816902 /nfs/dbraw/zinc/81/69/02/558816902.db2.gz RQLJPQRWOQMCAY-NRFANRHFSA-N 1 0 421.585 3.681 40 0 HHABRO CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019081352 558839620 /nfs/dbraw/zinc/83/96/20/558839620.db2.gz ZWRJTHSCOANGQM-IBGZPJMESA-N 1 0 400.567 3.830 40 0 HHABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125151 558844412 /nfs/dbraw/zinc/84/44/12/558844412.db2.gz UFTZCYGIYZTSLM-RTWAWAEBSA-N 1 0 403.469 3.966 40 0 HHABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3c[nH]c4ccc(C)cc43)CC1)O2 ZINC000019220548 558851856 /nfs/dbraw/zinc/85/18/56/558851856.db2.gz CKAVJTDNQINBCN-PKTZIBPZSA-N 1 0 422.525 3.869 40 0 HHABRO COc1c(C)cccc1C[N@@H+]1CC[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019235897 558854943 /nfs/dbraw/zinc/85/49/43/558854943.db2.gz IKHZIMJUJLKXRG-AREMUKBSSA-N 1 0 415.537 3.986 40 0 HHABRO COc1cc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1 ZINC000019285531 558859858 /nfs/dbraw/zinc/85/98/58/558859858.db2.gz ZSYCEYYPXOXRKL-LEWJYISDSA-N 1 0 423.488 3.618 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000019290184 558862709 /nfs/dbraw/zinc/86/27/09/558862709.db2.gz ZOFPZJCOXIQNKC-QGZVFWFLSA-N 1 0 408.575 3.918 40 0 HHABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019348981 558874828 /nfs/dbraw/zinc/87/48/28/558874828.db2.gz JMAYYGNIOFBQGT-GOSISDBHSA-N 1 0 406.509 3.986 40 0 HHABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019449518 558887978 /nfs/dbraw/zinc/88/79/78/558887978.db2.gz YVORJTYSGSAIEK-AREMUKBSSA-N 1 0 419.569 3.855 40 0 HHABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000019456835 558892306 /nfs/dbraw/zinc/89/23/06/558892306.db2.gz ISRXQDNCRAXWGA-MZNJEOGPSA-N 1 0 409.530 3.578 40 0 HHABRO CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019501425 558899510 /nfs/dbraw/zinc/89/95/10/558899510.db2.gz IJAXSOQSFPBBBV-FQEVSTJZSA-N 1 0 400.567 3.974 40 0 HHABRO CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000019523231 558904470 /nfs/dbraw/zinc/90/44/70/558904470.db2.gz WTLIVWUNVRUYAK-HXUWFJFHSA-N 1 0 419.569 3.980 40 0 HHABRO CC[N@@H+]1CCC[C@@H]1CNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000019527241 558908285 /nfs/dbraw/zinc/90/82/85/558908285.db2.gz BWSFVZKPQBIRNF-LJQANCHMSA-N 1 0 407.562 3.585 40 0 HHABRO CCN1CC[N@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527712 558908940 /nfs/dbraw/zinc/90/89/40/558908940.db2.gz UYSLGQQFNWYFON-HSZRJFAPSA-N 1 0 414.553 3.975 40 0 HHABRO COc1ccc2c(c1)N[C@@]1(COC3(C1)CC[NH+](Cc1ccccn1)CC3)c1cccn1-2 ZINC000072327209 558933865 /nfs/dbraw/zinc/93/38/65/558933865.db2.gz IYGFEIVJHTYRFB-VWLOTQADSA-N 1 0 416.525 3.957 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000072330577 558935030 /nfs/dbraw/zinc/93/50/30/558935030.db2.gz FCJWSRJSGDQLJE-XJABCFGWSA-N 1 0 415.484 3.608 40 0 HHABRO CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccnc2)C1 ZINC000019580490 558936097 /nfs/dbraw/zinc/93/60/97/558936097.db2.gz UEFWSMMOCKTLHM-VWLOTQADSA-N 1 0 400.526 3.667 40 0 HHABRO C[C@H](C[NH+]1CCN(c2c(F)cccc2[C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000072340568 558939294 /nfs/dbraw/zinc/93/92/94/558939294.db2.gz LYYGHRWBSCRPAV-JPYJTQIMSA-N 1 0 408.521 3.567 40 0 HHABRO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019591337 558941678 /nfs/dbraw/zinc/94/16/78/558941678.db2.gz MYWZHWPCYPOCGG-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccccc2F)C1 ZINC000019591309 558941717 /nfs/dbraw/zinc/94/17/17/558941717.db2.gz WZFKZVAPNWVTBB-VWLOTQADSA-N 1 0 418.516 3.854 40 0 HHABRO CNc1cc([C@@H]2CCC[N@H+](Cc3ccc(OC)c(OC)c3)C2)nc(-c2cccnc2)n1 ZINC000019592201 558943121 /nfs/dbraw/zinc/94/31/21/558943121.db2.gz VAQDGDJHDVXZJT-LJQANCHMSA-N 1 0 419.529 3.977 40 0 HHABRO COCCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(OC)cc1)C[N@@H+]2Cc1ccccc1 ZINC000019593202 558944115 /nfs/dbraw/zinc/94/41/15/558944115.db2.gz JFGDCUAYWXBIFR-HJOGWXRNSA-N 1 0 408.542 3.548 40 0 HHABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349537 558946382 /nfs/dbraw/zinc/94/63/82/558946382.db2.gz AIGPKPPMYRDKBQ-KRWDZBQOSA-N 1 0 405.464 3.959 40 0 HHABRO O=C(c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccncc2)C1)N1CCOCC1 ZINC000072356008 558952768 /nfs/dbraw/zinc/95/27/68/558952768.db2.gz BKSBNNTYUGSTKF-SFHVURJKSA-N 1 0 407.539 3.758 40 0 HHABRO CC[NH+](CC)CC(=O)N1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370398 558956792 /nfs/dbraw/zinc/95/67/92/558956792.db2.gz YMPWHLDTJOMGDH-INIZCTEOSA-N 1 0 401.576 3.526 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)cn1 ZINC000019689800 558959233 /nfs/dbraw/zinc/95/92/33/558959233.db2.gz GQASPPLMWUNYNO-OAQYLSRUSA-N 1 0 406.534 3.772 40 0 HHABRO Cc1cccc(CNC(=O)C2(Cc3cccc([C@@H]4CCC[N@@H+](C)C4)c3)CCOCC2)n1 ZINC000072372265 558959436 /nfs/dbraw/zinc/95/94/36/558959436.db2.gz KGZWYOBVAZNDKZ-HSZRJFAPSA-N 1 0 421.585 3.855 40 0 HHABRO COc1ccc(C[NH+]2CCC([C@@H]3CCCCN(C)C3=O)CC2)cc1Cn1ccnc1C ZINC000072372047 558959497 /nfs/dbraw/zinc/95/94/97/558959497.db2.gz ZHHJIJUBXCAKLS-QHCPKHFHSA-N 1 0 424.589 3.719 40 0 HHABRO COc1ccc(NC(=O)[C@H]2C[C@@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000064197646 558962465 /nfs/dbraw/zinc/96/24/65/558962465.db2.gz AMUPFGDCAJZQCJ-HFXUHXBXSA-N 1 0 411.477 3.645 40 0 HHABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000072374853 558962957 /nfs/dbraw/zinc/96/29/57/558962957.db2.gz QKDMYOHWJRACFD-QGZVFWFLSA-N 1 0 420.492 3.881 40 0 HHABRO Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374951 558963330 /nfs/dbraw/zinc/96/33/30/558963330.db2.gz OIGNKSRLKIVXRE-GOSISDBHSA-N 1 0 404.518 3.899 40 0 HHABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC(F)F ZINC000072392534 558972128 /nfs/dbraw/zinc/97/21/28/558972128.db2.gz PGXOOLJRVHTWHZ-JKSBSHDWSA-N 1 0 404.457 3.730 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccncc4)n3)CC2)cc1OC ZINC000072392699 558972477 /nfs/dbraw/zinc/97/24/77/558972477.db2.gz RTNLFOVVWJCUSD-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](C/C(C)=C/c4ccccc4)C[C@@H]32)c(OCC)n1 ZINC000072395419 558974393 /nfs/dbraw/zinc/97/43/93/558974393.db2.gz DBPZFCWPPDODIW-XVVZMEGUSA-N 1 0 423.557 3.907 40 0 HHABRO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@H+](Cc4cccnc4)C3)on2)cc1 ZINC000072395952 558975071 /nfs/dbraw/zinc/97/50/71/558975071.db2.gz FJZLDUUKIFTLPO-RUZDIDTESA-N 1 0 418.541 3.958 40 0 HHABRO CCn1nc([C@H](C)C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)c2ccccc2c1=O ZINC000019716970 558979176 /nfs/dbraw/zinc/97/91/76/558979176.db2.gz LFCHLFBQIKRRDA-IBGZPJMESA-N 1 0 424.589 3.825 40 0 HHABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)cc1 ZINC000585104518 559027005 /nfs/dbraw/zinc/02/70/05/559027005.db2.gz PSKWJCJRVSLXHZ-IFMALSPDSA-N 1 0 400.563 3.503 40 0 HHABRO O=S(=O)(Cc1ccccc1)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096046625 559091929 /nfs/dbraw/zinc/09/19/29/559091929.db2.gz FIQLMWYPWRPECH-UHFFFAOYSA-N 1 0 402.535 3.644 40 0 HHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053228 559093095 /nfs/dbraw/zinc/09/30/95/559093095.db2.gz SQGNKJGDBCXGEN-NRFANRHFSA-N 1 0 405.542 3.995 40 0 HHABRO O=C(CCc1cccnc1)N1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000096245509 559104999 /nfs/dbraw/zinc/10/49/99/559104999.db2.gz PDXXZHKPHCAMDN-RTBURBONSA-N 1 0 403.448 3.623 40 0 HHABRO O=C(Nc1ccccc1)N1C[C@@H]2C[NH+](C3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000096245602 559105151 /nfs/dbraw/zinc/10/51/51/559105151.db2.gz XURVPRVMHGUASP-VXKWHMMOSA-N 1 0 404.558 3.747 40 0 HHABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000585270391 559116339 /nfs/dbraw/zinc/11/63/39/559116339.db2.gz VSSARWZZIVUIIC-QFIPXVFZSA-N 1 0 422.525 3.931 40 0 HHABRO Cc1cnn(CCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)c1 ZINC000585271703 559117532 /nfs/dbraw/zinc/11/75/32/559117532.db2.gz BQSKDVZZPPOMMS-RUZDIDTESA-N 1 0 421.541 3.676 40 0 HHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000585281713 559119364 /nfs/dbraw/zinc/11/93/64/559119364.db2.gz PZULPIDHAMHPNA-FQEVSTJZSA-N 1 0 415.361 3.600 40 0 HHABRO CC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287219 559122152 /nfs/dbraw/zinc/12/21/52/559122152.db2.gz LBANCGBQMQQYJQ-XMMPIXPASA-N 1 0 402.579 3.546 40 0 HHABRO Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)c2)n1 ZINC000585291094 559123645 /nfs/dbraw/zinc/12/36/45/559123645.db2.gz KAOUWIRBPQKAGB-GFOMBABLSA-N 1 0 402.502 3.980 40 0 HHABRO Cc1nc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)n2)sc1C ZINC000585292087 559124634 /nfs/dbraw/zinc/12/46/34/559124634.db2.gz JTWCEXDJHZWURM-SYJIQKIWSA-N 1 0 414.579 3.773 40 0 HHABRO C[C@]12CC[C@H]3c4ccc(OC(=O)CCN5CCOCC5)cc4CC[C@H]3[C@H]1CCC2=O ZINC000105365681 559162755 /nfs/dbraw/zinc/16/27/55/559162755.db2.gz PAEWODTUFUTSCJ-OUMCCJGNSA-N 1 0 411.542 3.740 40 0 HHABRO O=C(Cc1ccc(F)cc1)N1CC[N@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072353557 559185747 /nfs/dbraw/zinc/18/57/47/559185747.db2.gz WSZNGJWYPIGWKY-HSZRJFAPSA-N 1 0 417.528 3.967 40 0 HHABRO COc1ccccc1[C@H]1C[NH2+]CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257291655 559285715 /nfs/dbraw/zinc/28/57/15/559285715.db2.gz QIAMPRFUQGTJNF-HSZRJFAPSA-N 1 0 415.537 3.547 40 0 HHABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004133665 560600755 /nfs/dbraw/zinc/60/07/55/560600755.db2.gz RACKVAIJEJKJDL-UHFFFAOYSA-N 1 0 402.608 3.655 40 0 HHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1C ZINC000004231206 560602984 /nfs/dbraw/zinc/60/29/84/560602984.db2.gz MEWRJFKMIWTFSD-UHFFFAOYSA-N 1 0 410.493 3.880 40 0 HHABRO CCOCC[NH+]1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn42)CCCC3)CC1 ZINC000004980653 560622918 /nfs/dbraw/zinc/62/29/18/560622918.db2.gz DCMARSIFALSUOD-UHFFFAOYSA-N 1 0 423.536 3.573 40 0 HHABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000409057818 560670586 /nfs/dbraw/zinc/67/05/86/560670586.db2.gz LJLBEIUFYSYSDK-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 ZINC000409055156 560671426 /nfs/dbraw/zinc/67/14/26/560671426.db2.gz KDPCTNNYQDGMRC-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409074628 560672851 /nfs/dbraw/zinc/67/28/51/560672851.db2.gz WBZMNZXRKMTDHB-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1c(C)n(C[C@H](O)C[N@@H+](C)Cc2cccc(CN3CCOCC3)c2)c2ccccc12 ZINC000585273170 560741533 /nfs/dbraw/zinc/74/15/33/560741533.db2.gz POJJKSMWKOQYDB-XMMPIXPASA-N 1 0 421.585 3.583 40 0 HHABRO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cccc(OC(F)(F)F)c1 ZINC000008215679 560753347 /nfs/dbraw/zinc/75/33/47/560753347.db2.gz BSLYNWJLSPJIAB-SFHVURJKSA-N 1 0 417.387 3.531 40 0 HHABRO OCCN(Cc1cccn1C1CC[NH+](Cc2ccccc2)CC1)Cc1cccnc1 ZINC000013569650 560814175 /nfs/dbraw/zinc/81/41/75/560814175.db2.gz ZLZMCADPEXJKKN-UHFFFAOYSA-N 1 0 404.558 3.715 40 0 HHABRO C[C@H](CC[NH+](C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118924592 560870124 /nfs/dbraw/zinc/87/01/24/560870124.db2.gz HBDQZJAFAVGPSS-SZUMHGKRSA-N 1 0 407.639 3.536 40 0 HHABRO Fc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019372847 560872645 /nfs/dbraw/zinc/87/26/45/560872645.db2.gz HUUONVRFQOGRIW-QHCPKHFHSA-N 1 0 420.536 3.510 40 0 HHABRO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCCN1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000019367052 560872891 /nfs/dbraw/zinc/87/28/91/560872891.db2.gz PONXEBDYEQQOSP-YKSBVNFPSA-N 1 0 403.611 3.528 40 0 HHABRO COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020139036 560880960 /nfs/dbraw/zinc/88/09/60/560880960.db2.gz ZHFOEYOMBYJGED-QHCPKHFHSA-N 1 0 424.593 3.837 40 0 HHABRO CC(C)CCn1nnnc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020141973 560881587 /nfs/dbraw/zinc/88/15/87/560881587.db2.gz IEZSNPNKNGWEET-UHFFFAOYSA-N 1 0 404.562 3.626 40 0 HHABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000036739992 568415615 /nfs/dbraw/zinc/41/56/15/568415615.db2.gz TVBPJBMXYGMPJD-QUZZAMIASA-N 1 0 401.478 3.581 40 0 HHABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075723 568473999 /nfs/dbraw/zinc/47/39/99/568473999.db2.gz YBKJBEVLOGPBGQ-CQSZACIVSA-N 1 0 413.345 3.641 40 0 HHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+][C@H](C)[C@H](O)c3ccccc3)o2)c1 ZINC000022108592 568475398 /nfs/dbraw/zinc/47/53/98/568475398.db2.gz WVEWBMQVSGHADS-QRQCRPRQSA-N 1 0 423.465 3.732 40 0 HHABRO COc1cccc(-c2noc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)n2)c1 ZINC000219240328 568488312 /nfs/dbraw/zinc/48/83/12/568488312.db2.gz CMJHFBVOTNDGPK-KRWDZBQOSA-N 1 0 420.513 3.907 40 0 HHABRO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222600632 568519971 /nfs/dbraw/zinc/51/99/71/568519971.db2.gz VZXTWXCBYREUJJ-LJQANCHMSA-N 1 0 408.477 3.746 40 0 HHABRO Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223260324 568543039 /nfs/dbraw/zinc/54/30/39/568543039.db2.gz VZDXQFVJEKVPQP-FCHUYYIVSA-N 1 0 405.571 3.715 40 0 HHABRO COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000223931248 568563371 /nfs/dbraw/zinc/56/33/71/568563371.db2.gz SVHNHKOUSYYLHV-UHFFFAOYSA-N 1 0 417.575 3.680 40 0 HHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000224679145 568592148 /nfs/dbraw/zinc/59/21/48/568592148.db2.gz UVPLYGHURSRCAO-UHFFFAOYSA-N 1 0 405.542 3.725 40 0 HHABRO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000224834361 568599025 /nfs/dbraw/zinc/59/90/25/568599025.db2.gz ZSWYEDWCRMJVKA-INIZCTEOSA-N 1 0 400.494 3.932 40 0 HHABRO COc1cc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000224852954 568600466 /nfs/dbraw/zinc/60/04/66/568600466.db2.gz XGTPYCLMFDTNLL-UHFFFAOYSA-N 1 0 402.560 3.776 40 0 HHABRO COc1cc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c(OC)cc1Cl ZINC000225216445 568623803 /nfs/dbraw/zinc/62/38/03/568623803.db2.gz KOBJQCWNODTOII-UHFFFAOYSA-N 1 0 416.012 3.567 40 0 HHABRO FC(F)(F)Oc1cccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c1 ZINC000225217692 568624071 /nfs/dbraw/zinc/62/40/71/568624071.db2.gz SPWNSZSVNQJCKN-UHFFFAOYSA-N 1 0 405.511 3.795 40 0 HHABRO S=C1NC2(CC[NH+](Cc3ccccc3)CC2)NN1c1ccc(Br)cc1 ZINC000225350012 568630860 /nfs/dbraw/zinc/63/08/60/568630860.db2.gz ZOCUBOXKNKXPRT-UHFFFAOYSA-N 1 0 417.376 3.641 40 0 HHABRO Cc1cc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1N1CCCC1=O ZINC000225731073 568668737 /nfs/dbraw/zinc/66/87/37/568668737.db2.gz RATWQJVUNKMZPF-IAGOWNOFSA-N 1 0 402.608 3.776 40 0 HHABRO Cc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1N1CCCC1=O ZINC000225731172 568668779 /nfs/dbraw/zinc/66/87/79/568668779.db2.gz PPYSPQAHGNOGBU-IAGOWNOFSA-N 1 0 402.608 3.776 40 0 HHABRO Cc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1N1CCCC1=O ZINC000225744093 568670605 /nfs/dbraw/zinc/67/06/05/568670605.db2.gz HWURJMLMLHQZAA-UHFFFAOYSA-N 1 0 422.598 3.857 40 0 HHABRO Cc1cc(C[C@H]2CCC[C@@H]3C[N@H+](CC(=O)Nc4ccnn4C4CCCC4)C[C@@H]32)ncn1 ZINC000257199629 568775950 /nfs/dbraw/zinc/77/59/50/568775950.db2.gz AAEVIUFAPOFLHC-WOIUINJBSA-N 1 0 422.577 3.626 40 0 HHABRO O=C(Nc1cc(CCC2CC[NH+](Cc3ccccn3)CC2)ccn1)c1ccccn1 ZINC000257226091 568783733 /nfs/dbraw/zinc/78/37/33/568783733.db2.gz FJCSNXBFEZUIII-UHFFFAOYSA-N 1 0 401.514 3.969 40 0 HHABRO Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000257227483 568784119 /nfs/dbraw/zinc/78/41/19/568784119.db2.gz FPMUOHMXOOEEBJ-UHFFFAOYSA-N 1 0 420.492 3.881 40 0 HHABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)[nH+]1 ZINC000257239634 568787379 /nfs/dbraw/zinc/78/73/79/568787379.db2.gz HQEJIECQYRNACO-GFCCVEGCSA-N 1 0 404.446 3.811 40 0 HHABRO Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000257328384 568812577 /nfs/dbraw/zinc/81/25/77/568812577.db2.gz XFJNGHSLXYJKIL-UHFFFAOYSA-N 1 0 420.492 3.881 40 0 HHABRO c1ccc(-c2ccc3nnc(C4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)n3n2)cc1 ZINC000306134911 568897060 /nfs/dbraw/zinc/89/70/60/568897060.db2.gz OBKSOAGSBYSELM-UHFFFAOYSA-N 1 0 413.481 3.900 40 0 HHABRO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC(C)C)S3(=O)=O)cc1 ZINC000306138253 568900160 /nfs/dbraw/zinc/90/01/60/568900160.db2.gz RTMGHLKGCHPSNQ-UHFFFAOYSA-N 1 0 414.571 3.992 40 0 HHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144080 568905363 /nfs/dbraw/zinc/90/53/63/568905363.db2.gz YVQJQAJXLGKXFQ-XUZZJYLKSA-N 1 0 410.537 3.831 40 0 HHABRO [NH3+]C[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218240712 568928696 /nfs/dbraw/zinc/92/86/96/568928696.db2.gz SXWKMLYESVXEBA-OWCLPIDISA-N 1 0 400.725 3.617 40 0 HHABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611235 568939698 /nfs/dbraw/zinc/93/96/98/568939698.db2.gz COKOVRNILPZULJ-CEXWTWQISA-N 1 0 414.354 3.915 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 ZINC000328966541 568970327 /nfs/dbraw/zinc/97/03/27/568970327.db2.gz CMJNHIKGSGAMOH-UHFFFAOYSA-N 1 0 408.255 3.753 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccnc2)n1 ZINC000329013534 568972602 /nfs/dbraw/zinc/97/26/02/568972602.db2.gz MQHZNYIIKWPNRQ-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(c3ccccc3F)CC1)C2 ZINC000035075031 569027794 /nfs/dbraw/zinc/02/77/94/569027794.db2.gz FCZWGBJWUCDVIA-PKWOTWBQSA-N 1 0 404.570 3.930 40 0 HHABRO COc1cc(Br)c(C[C@H]2[NH2+]CCc3cc4c(cc32)OCO4)cc1OC ZINC000002048232 569151620 /nfs/dbraw/zinc/15/16/20/569151620.db2.gz AOQIPBCFAFHMRM-OAHLLOKOSA-N 1 0 406.276 3.625 40 0 HHABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cc(OC)c1OC ZINC000247908447 569315685 /nfs/dbraw/zinc/31/56/85/569315685.db2.gz TVBPJBMXYGMPJD-BTCOZLQPSA-N 1 0 401.478 3.581 40 0 HHABRO CC(=O)Nc1nc(C(=O)Nc2ccc(CC[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)cs1 ZINC000247975347 569315880 /nfs/dbraw/zinc/31/58/80/569315880.db2.gz ZTFICEHYFQIFFE-RHSMWYFYSA-N 1 0 400.548 3.874 40 0 HHABRO COc1ncc([C@]2(O)CCC[C@@H]3C[N@H+](Cc4ccc(C(C)C)cc4)C[C@@H]32)c(OC)n1 ZINC000012233315 569344729 /nfs/dbraw/zinc/34/47/29/569344729.db2.gz NDYQBMVSSLLTOF-NHCICSSKSA-N 1 0 411.546 3.737 40 0 HHABRO COc1ncc([C@]2(O)CCC[C@H]3C[N@H+](Cc4ccc(C(C)C)cc4)C[C@@H]32)c(OC)n1 ZINC000012233323 569344745 /nfs/dbraw/zinc/34/47/45/569344745.db2.gz NDYQBMVSSLLTOF-ZCVJKFOLSA-N 1 0 411.546 3.737 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000019348963 569345399 /nfs/dbraw/zinc/34/53/99/569345399.db2.gz ZZRRMPGGAFROFJ-WMZHIEFXSA-N 1 0 404.489 3.999 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000019560932 569345684 /nfs/dbraw/zinc/34/56/84/569345684.db2.gz RTJVJMQQJWTSBM-HYBUGGRVSA-N 1 0 423.557 3.968 40 0 HHABRO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)C2CCCCC2)n1 ZINC000019697386 569346907 /nfs/dbraw/zinc/34/69/07/569346907.db2.gz MXFWJFGIGBSMOS-LJQANCHMSA-N 1 0 407.562 3.799 40 0 HHABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cnn4cc(C)cnc34)cc2)C1 ZINC000019711852 569348220 /nfs/dbraw/zinc/34/82/20/569348220.db2.gz VMKSUQRAAJXFGR-CTNGQTDRSA-N 1 0 407.518 3.852 40 0 HHABRO Cc1ccc(-c2nnn(CC(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)n2)cc1 ZINC000141560949 569354752 /nfs/dbraw/zinc/35/47/52/569354752.db2.gz SFGHVQCZESJDKI-GOSISDBHSA-N 1 0 404.518 3.662 40 0 HHABRO CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328995989 571309763 /nfs/dbraw/zinc/30/97/63/571309763.db2.gz JJSDBLUOPSOOLK-UHFFFAOYSA-N 1 0 404.514 4.231 40 0 HHABRO COc1cc(Br)c2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000036445486 571313910 /nfs/dbraw/zinc/31/39/10/571313910.db2.gz NIAQGCJDDRFORJ-UHFFFAOYSA-N 1 0 415.263 3.859 40 0 HHABRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000044886571 520755016 /nfs/dbraw/zinc/75/50/16/520755016.db2.gz YKIWKEMGXSXWGU-UHFFFAOYSA-N 1 0 415.559 3.764 40 0 HHABRO CCc1c2oc(C3=CC[NH2+]CC3)nc2c(Br)c(N)c1Br ZINC000073642758 523731721 /nfs/dbraw/zinc/73/17/21/523731721.db2.gz IGMXANULPSMGRX-UHFFFAOYSA-N 1 0 401.102 3.874 40 0 HHABRO COc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000044851729 523936743 /nfs/dbraw/zinc/93/67/43/523936743.db2.gz WAEAEXDVFYBTCS-HXUWFJFHSA-N 1 0 414.521 3.804 40 0 HHABRO Cc1cccnc1CNC(=O)C1(Cc2cccc([C@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372270 525512133 /nfs/dbraw/zinc/51/21/33/525512133.db2.gz ZSZXYEPTPWCZOB-QHCPKHFHSA-N 1 0 421.585 3.855 40 0 HHABRO COc1cc(C(=O)NCC2([NH+](C)C)CCCC2)cc(OC)c1OCc1ccccc1 ZINC000000591392 557018648 /nfs/dbraw/zinc/01/86/48/557018648.db2.gz ZCYOBMASPXQBSZ-UHFFFAOYSA-N 1 0 412.530 3.887 40 0 in-vitro HHABRO COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000002263610 557332722 /nfs/dbraw/zinc/33/27/22/557332722.db2.gz XXZAUQPFRHQXOI-UHFFFAOYSA-N 1 0 413.543 3.817 40 0 HHABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000408569753 557467117 /nfs/dbraw/zinc/46/71/17/557467117.db2.gz PUBRETDFXJXQSY-BJMVGYQFSA-N 1 0 413.905 3.530 40 0 HHABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020042601 558326299 /nfs/dbraw/zinc/32/62/99/558326299.db2.gz DPEQWJOZVIEGJD-UHFFFAOYSA-N 1 0 424.497 3.744 40 0 HHABRO COc1ccccc1NC(=O)COc1ccc(/C=C/C2=CC[N@H+](C)CC2)cc1OC ZINC000012143035 558335265 /nfs/dbraw/zinc/33/52/65/558335265.db2.gz XEDPIECBXSKTCG-CMDGGOBGSA-N 1 0 408.498 3.996 40 0 HHABRO COc1ccc(-c2ncc(C[NH+]3CCC(O)(c4ccccc4OC)CC3)cn2)cc1 ZINC000012292878 558365917 /nfs/dbraw/zinc/36/59/17/558365917.db2.gz FXNAVZGGMVEZDA-UHFFFAOYSA-N 1 0 405.498 3.644 40 0 HHABRO COCCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC ZINC000012329115 558383807 /nfs/dbraw/zinc/38/38/07/558383807.db2.gz YGEOZKVUOZPITN-SVGJNIJCSA-N 1 0 415.505 3.874 40 0 HHABRO CC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329391 558383987 /nfs/dbraw/zinc/38/39/87/558383987.db2.gz BTORJSRZHAVUOV-XZOQPEGZSA-N 1 0 424.541 3.646 40 0 HHABRO CC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329389 558384039 /nfs/dbraw/zinc/38/40/39/558384039.db2.gz BTORJSRZHAVUOV-GOTSBHOMSA-N 1 0 424.541 3.646 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3c[nH]c4cc(C)ccc43)CC1)C[C@H]2O ZINC000012329708 558384549 /nfs/dbraw/zinc/38/45/49/558384549.db2.gz NBQFGPXMSLARDR-PKTZIBPZSA-N 1 0 422.525 3.869 40 0 HHABRO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000022075697 558462402 /nfs/dbraw/zinc/46/24/02/558462402.db2.gz YRDDRNYGYQFBDH-UHFFFAOYSA-N 1 0 422.928 3.879 40 0 HHABRO Cc1ccc([C@H](c2nnnn2Cc2ccco2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929563 558523399 /nfs/dbraw/zinc/52/33/99/558523399.db2.gz ZISRTCUIUXHOOU-HSZRJFAPSA-N 1 0 420.561 3.663 40 0 HHABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000035586279 558793777 /nfs/dbraw/zinc/79/37/77/558793777.db2.gz NCPYNQDHIIBZIX-IUBSTNSRSA-N 1 0 404.595 3.656 40 0 HHABRO COc1ccc(CN(Cc2cnc(N(C)C)nc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000036740456 558801604 /nfs/dbraw/zinc/80/16/04/558801604.db2.gz ZXRYXKPZZVINBF-UHFFFAOYSA-N 1 0 411.594 3.863 40 0 HHABRO Cn1c2ccc(CN(Cc3ccncc3)C3CC(C)(C)[NH2+]C(C)(C)C3)cc2n(C)c1=O ZINC000036740562 558801840 /nfs/dbraw/zinc/80/18/40/558801840.db2.gz UWZOLAIMVJSOTJ-UHFFFAOYSA-N 1 0 421.589 3.583 40 0 HHABRO CC(C)NC(=O)Cn1cc(CN2CCC([N@@H+]3CCC[C@H](C)C3)CC2)c2ccccc21 ZINC000036741491 558802190 /nfs/dbraw/zinc/80/21/90/558802190.db2.gz JXWNHFLGELANPH-FQEVSTJZSA-N 1 0 410.606 3.862 40 0 HHABRO Cc1c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000038753553 558814006 /nfs/dbraw/zinc/81/40/06/558814006.db2.gz KOFRQWWYRQSPPF-UHFFFAOYSA-N 1 0 418.541 3.969 40 0 HHABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@@H]1c1ccc(OC)c(OC)c1)CCCC3 ZINC000045506740 558837243 /nfs/dbraw/zinc/83/72/43/558837243.db2.gz AAEYHJGXSUBKQJ-HXUWFJFHSA-N 1 0 423.513 3.954 40 0 HHABRO COc1cc(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)cc(OC)c1OC ZINC000019208411 558847496 /nfs/dbraw/zinc/84/74/96/558847496.db2.gz JBLRAYWEILAFLD-UHFFFAOYSA-N 1 0 410.558 3.870 40 0 HHABRO Cc1cc2c(cc1Br)[C@@H](O)[C@](C[NH+]1CCCCC1)(N1CCCCC1)CO2 ZINC000019203063 558847629 /nfs/dbraw/zinc/84/76/29/558847629.db2.gz PRCHEBOJKXRRQR-NHCUHLMSSA-N 1 0 423.395 3.894 40 0 HHABRO Cc1ccc([C@@H]2C[N@H+](CC(=O)N(C)CCc3ccccc3)C[C@H]2c2csnn2)cc1 ZINC000019211938 558848597 /nfs/dbraw/zinc/84/85/97/558848597.db2.gz MSTJGKRWVOWJKA-FCHUYYIVSA-N 1 0 420.582 3.731 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000019290172 558862684 /nfs/dbraw/zinc/86/26/84/558862684.db2.gz WOWMNDKWOMSTID-LJQANCHMSA-N 1 0 420.536 3.996 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000019290163 558862704 /nfs/dbraw/zinc/86/27/04/558862704.db2.gz NHTJKHYOUJLBSL-OAQYLSRUSA-N 1 0 416.573 3.899 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000019290168 558862719 /nfs/dbraw/zinc/86/27/19/558862719.db2.gz XJGJKLADMPNRNH-LJQANCHMSA-N 1 0 420.536 3.996 40 0 HHABRO O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019293556 558865362 /nfs/dbraw/zinc/86/53/62/558865362.db2.gz NXZQZSWDRNDMHR-OAQYLSRUSA-N 1 0 424.520 3.989 40 0 HHABRO O=C([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019332311 558868746 /nfs/dbraw/zinc/86/87/46/558868746.db2.gz QZEFSQAETYTBBX-FGZHOGPDSA-N 1 0 419.997 3.580 40 0 HHABRO O=C(c1cccnc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]21 ZINC000019337826 558870482 /nfs/dbraw/zinc/87/04/82/558870482.db2.gz ARBBSQZYFPXSLB-WXFUMESZSA-N 1 0 416.500 3.746 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000019400548 558883105 /nfs/dbraw/zinc/88/31/05/558883105.db2.gz DWHQBTCVRJYDIW-BULFRSBZSA-N 1 0 415.484 3.608 40 0 HHABRO CC1CC[NH+](CC(C)(C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)CC1 ZINC000019496896 558895700 /nfs/dbraw/zinc/89/57/00/558895700.db2.gz JHNZGUPINBSJHY-UHFFFAOYSA-N 1 0 403.530 3.932 40 0 HHABRO C[C@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000019497342 558896179 /nfs/dbraw/zinc/89/61/79/558896179.db2.gz HMMNKOULHLHRHL-HOTGVXAUSA-N 1 0 416.953 3.692 40 0 HHABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 ZINC000019500942 558898835 /nfs/dbraw/zinc/89/88/35/558898835.db2.gz QNIDJLJFXFDYKC-GBESFXJTSA-N 1 0 423.552 3.685 40 0 HHABRO CCSc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019520527 558901357 /nfs/dbraw/zinc/90/13/57/558901357.db2.gz CRQJZXOECVRVBO-OAHLLOKOSA-N 1 0 413.572 3.780 40 0 HHABRO CCn1ncc(C[NH+]2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)c1C ZINC000019523934 558905120 /nfs/dbraw/zinc/90/51/20/558905120.db2.gz FIIQZUPANGCZDG-UHFFFAOYSA-N 1 0 406.456 3.961 40 0 HHABRO CC[NH+](CC)[C@H](CNC(=O)c1nn2cccnc2c1Cl)c1ccccc1Cl ZINC000019526293 558907729 /nfs/dbraw/zinc/90/77/29/558907729.db2.gz OYYWXVNXNCURLI-OAHLLOKOSA-N 1 0 406.317 3.849 40 0 HHABRO CCN1CC[N@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527452 558908712 /nfs/dbraw/zinc/90/87/12/558908712.db2.gz GETWEKBQRAGOMT-XMMPIXPASA-N 1 0 400.526 3.667 40 0 HHABRO CCOc1ncc(C2(O)CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)c(OCC)n1 ZINC000019531703 558912263 /nfs/dbraw/zinc/91/22/63/558912263.db2.gz CDNYPHUFVCTIAY-UHFFFAOYSA-N 1 0 410.518 3.547 40 0 HHABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1OC ZINC000019533868 558913279 /nfs/dbraw/zinc/91/32/79/558913279.db2.gz CJVSQYSCAWKBLP-QGZVFWFLSA-N 1 0 413.547 3.721 40 0 HHABRO COc1ccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)c4cccc(OC)c4OC)C[C@H]32)cc1 ZINC000019555308 558918274 /nfs/dbraw/zinc/91/82/74/558918274.db2.gz PZYIZIHCHOIEDP-SIKLNZKXSA-N 1 0 424.541 3.839 40 0 HHABRO COc1ccc(C[NH2+][C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)cc1 ZINC000019555875 558918720 /nfs/dbraw/zinc/91/87/20/558918720.db2.gz AEQLYBIZUCOBDD-HSZRJFAPSA-N 1 0 412.493 3.914 40 0 HHABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2ccco2)cc1OC ZINC000019561457 558922096 /nfs/dbraw/zinc/92/20/96/558922096.db2.gz ZRJCOBPHKJFGPB-UXHICEINSA-N 1 0 406.482 3.695 40 0 HHABRO Cc1noc2nc([C@H]3CCC[N@@H+](Cc4cnc(N(C)C)nc4)C3)cc(C(F)F)c12 ZINC000019564403 558924439 /nfs/dbraw/zinc/92/44/39/558924439.db2.gz QBRGVWSAZJFCQY-AWEZNQCLSA-N 1 0 402.449 3.704 40 0 HHABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)c3ccccn3)c3ccccn3)CC2)c1 ZINC000019564867 558925003 /nfs/dbraw/zinc/92/50/03/558925003.db2.gz UQWQMBLHLJSJPK-DEOSSOPVSA-N 1 0 416.525 3.869 40 0 HHABRO COc1cccc(C[N@@H+]2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)c1 ZINC000019565372 558925439 /nfs/dbraw/zinc/92/54/39/558925439.db2.gz NZAMGVHELKIYBQ-HSZRJFAPSA-N 1 0 401.510 3.548 40 0 HHABRO Cc1cc(C[N@H+]2CCC[C@@H](Cn3nnc4c3nc(C(C)C)[nH]c4=O)C2)c(C)s1 ZINC000019567970 558927021 /nfs/dbraw/zinc/92/70/21/558927021.db2.gz GXMPAHLXAHDGOW-OAHLLOKOSA-N 1 0 400.552 3.641 40 0 HHABRO COc1ccccc1C[NH2+][C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 ZINC000019570841 558929508 /nfs/dbraw/zinc/92/95/08/558929508.db2.gz WMIAJKFPHHEPMN-JOCHJYFZSA-N 1 0 412.493 3.914 40 0 HHABRO CCn1cncc1C[NH+]1CCC([C@H](NC(=O)c2ccccc2C)c2ccccn2)CC1 ZINC000019578599 558934285 /nfs/dbraw/zinc/93/42/85/558934285.db2.gz IZLYTZYXAAEDCJ-DEOSSOPVSA-N 1 0 417.557 3.990 40 0 HHABRO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019579601 558935190 /nfs/dbraw/zinc/93/51/90/558935190.db2.gz AMZCLKFWZXAOLH-XMMPIXPASA-N 1 0 404.514 3.650 40 0 HHABRO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccnc2)C1 ZINC000019580488 558936067 /nfs/dbraw/zinc/93/60/67/558936067.db2.gz UEFWSMMOCKTLHM-RUZDIDTESA-N 1 0 400.526 3.667 40 0 HHABRO C[NH+](C)CCCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019582379 558937372 /nfs/dbraw/zinc/93/73/72/558937372.db2.gz CFEACNNCYMJWMH-UHFFFAOYSA-N 1 0 420.536 3.600 40 0 HHABRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)cc1 ZINC000019583579 558938053 /nfs/dbraw/zinc/93/80/53/558938053.db2.gz HVRJCEPSGBETEZ-UHFFFAOYSA-N 1 0 404.514 3.515 40 0 HHABRO CC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 ZINC000060016393 558940318 /nfs/dbraw/zinc/94/03/18/558940318.db2.gz OWRKYZZCMGGWSI-DFBJGRDBSA-N 1 0 407.558 3.538 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019591350 558941908 /nfs/dbraw/zinc/94/19/08/558941908.db2.gz GTOJRAKJQILRNP-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2)n1 ZINC000061132610 558944670 /nfs/dbraw/zinc/94/46/70/558944670.db2.gz VWSUOYPFTRZSBD-UHFFFAOYSA-N 1 0 403.530 3.552 40 0 HHABRO O=C(C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)NCCc1c[nH]c2ccccc12 ZINC000019656873 558949433 /nfs/dbraw/zinc/94/94/33/558949433.db2.gz UQGUFZSIBXHBOR-GOSISDBHSA-N 1 0 415.541 3.658 40 0 HHABRO O=C(c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccccn2)C1)N1CCOCC1 ZINC000072356026 558952700 /nfs/dbraw/zinc/95/27/00/558952700.db2.gz QYDYLWVZIIXXLQ-KRWDZBQOSA-N 1 0 407.539 3.758 40 0 HHABRO Cc1ccnn1Cc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c2ccccc2n1 ZINC000019664505 558955046 /nfs/dbraw/zinc/95/50/46/558955046.db2.gz XHRFZYGOXHPUKS-UHFFFAOYSA-N 1 0 405.546 3.592 40 0 HHABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370563 558956980 /nfs/dbraw/zinc/95/69/80/558956980.db2.gz RYUFKVHHBVGREJ-KRWDZBQOSA-N 1 0 423.586 3.714 40 0 HHABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(N[C@@H](C)c3ccc(C)c(C)c3)c2C1 ZINC000072372290 558959766 /nfs/dbraw/zinc/95/97/66/558959766.db2.gz YJEVSNSTUBBMBU-SFHVURJKSA-N 1 0 421.589 3.980 40 0 HHABRO Cc1nc(C)n(C[C@@H](C)C(=O)NC2CC[NH+](CC3(c4ccccc4)CCCC3)CC2)n1 ZINC000072393423 558973023 /nfs/dbraw/zinc/97/30/23/558973023.db2.gz SXRKADDFZKAIEA-LJQANCHMSA-N 1 0 423.605 3.624 40 0 HHABRO COc1ccc2c(c1)c([C@H]1C[N@H+](Cc3cccc(F)c3F)C[C@@H]1NC(C)=O)cn2C ZINC000072395552 558974474 /nfs/dbraw/zinc/97/44/74/558974474.db2.gz ZVPRXWXGFIFUGZ-CTNGQTDRSA-N 1 0 413.468 3.569 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000072398631 558976232 /nfs/dbraw/zinc/97/62/32/558976232.db2.gz DAAOFDQYLIZYNN-CVDCTZTESA-N 1 0 404.489 3.999 40 0 HHABRO CC(C)c1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)C4CC(O)C4)[C@H]3C2)cc1 ZINC000585109782 559029510 /nfs/dbraw/zinc/02/95/10/559029510.db2.gz UBWCCBPXXQIHBS-PZDSIAHKSA-N 1 0 404.554 3.967 40 0 HHABRO O=C(Cc1cccc(F)c1)N1CCC2(C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000585113512 559031387 /nfs/dbraw/zinc/03/13/87/559031387.db2.gz VNZSGCKVCHNYQO-SANMLTNESA-N 1 0 422.544 3.900 40 0 HHABRO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096245486 559105022 /nfs/dbraw/zinc/10/50/22/559105022.db2.gz POQRKMBFEKVMSZ-OYRHEFFESA-N 1 0 403.551 3.979 40 0 HHABRO CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H]([NH3+])C(C)C)CC3)n2)s1 ZINC000585263613 559112038 /nfs/dbraw/zinc/11/20/38/559112038.db2.gz UXXUVPBHGPSWRT-SFHVURJKSA-N 1 0 416.595 3.627 40 0 HHABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000585270534 559116345 /nfs/dbraw/zinc/11/63/45/559116345.db2.gz MDJXHXBYWPYPKM-UHFFFAOYSA-N 1 0 421.541 3.713 40 0 HHABRO Cc1cnn(CCOc2cccc(C[N@@H+]3CCC[C@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271809 559117767 /nfs/dbraw/zinc/11/77/67/559117767.db2.gz OSONZDJBBRLLOY-RUZDIDTESA-N 1 0 421.541 3.676 40 0 HHABRO CC(=O)N(C)[C@@H]1CCOC2(CC[NH+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC2)C1 ZINC000585283448 559120621 /nfs/dbraw/zinc/12/06/21/559120621.db2.gz OKZRTMCHNIIOHI-SMIHKQSGSA-N 1 0 414.590 3.567 40 0 HHABRO Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)c2)n1 ZINC000585292626 559125259 /nfs/dbraw/zinc/12/52/59/559125259.db2.gz PTVHRLGTINGWMQ-JBVUFVISSA-N 1 0 416.529 3.990 40 0 HHABRO CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000048311361 559177276 /nfs/dbraw/zinc/17/72/76/559177276.db2.gz ITMATJVKPFZWAI-SXWKCWPCSA-N 1 0 413.606 3.675 40 0 HHABRO Cc1cccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000000884944 560540274 /nfs/dbraw/zinc/54/02/74/560540274.db2.gz DBQAGUMLYFGTDK-UHFFFAOYSA-N 1 0 408.571 3.906 40 0 HHABRO Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)cc2c1 ZINC000004132180 560599931 /nfs/dbraw/zinc/59/99/31/560599931.db2.gz PHRVMDFZONOONT-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000004133515 560600613 /nfs/dbraw/zinc/60/06/13/560600613.db2.gz LBDDTCRLLUAPPR-UHFFFAOYSA-N 1 0 422.598 3.583 40 0 HHABRO CC[NH+](CC)CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=S)NCC(C)C ZINC000004133822 560600747 /nfs/dbraw/zinc/60/07/47/560600747.db2.gz MLLVXTFATPECCR-UHFFFAOYSA-N 1 0 416.635 3.819 40 0 HHABRO CCNC(=S)N(CCC[NH+](CC)CC)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000004162018 560602119 /nfs/dbraw/zinc/60/21/19/560602119.db2.gz UOKGDRDKAHTIJN-UHFFFAOYSA-N 1 0 402.608 3.519 40 0 HHABRO COc1ccc2cc(CN(CCC[NH+](C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000004161993 560602129 /nfs/dbraw/zinc/60/21/29/560602129.db2.gz SPWXGWUIPDGDTP-UHFFFAOYSA-N 1 0 424.570 3.687 40 0 HHABRO COc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972533 560857736 /nfs/dbraw/zinc/85/77/36/560857736.db2.gz YVUFEZLYZUOAFD-WSCWJOSJSA-N 1 0 405.498 3.582 40 0 HHABRO CCCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000020141133 560881404 /nfs/dbraw/zinc/88/14/04/560881404.db2.gz KMCLURODZPNEOA-OAQYLSRUSA-N 1 0 400.546 3.652 40 0 HHABRO COc1cccc(CNCC[NH2+]C[C@@H](C)O)c1OCc1ccc(Cl)cc1Cl ZINC000022075200 568473953 /nfs/dbraw/zinc/47/39/53/568473953.db2.gz FGVBPHJVFVAHDV-CQSZACIVSA-N 1 0 413.345 3.641 40 0 HHABRO Cc1ccc(C)c(N2CCN([C@H](c3nnnn3Cc3cccs3)C(C)C)CC2)c1 ZINC000057671541 568495311 /nfs/dbraw/zinc/49/53/11/568495311.db2.gz CDJJAOBUGSXYAX-NRFANRHFSA-N 1 0 410.591 3.919 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000223248358 568542585 /nfs/dbraw/zinc/54/25/85/568542585.db2.gz BWRLCRXHOYPSKG-FCHUYYIVSA-N 1 0 405.571 3.797 40 0 HHABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccco1 ZINC000223258952 568542968 /nfs/dbraw/zinc/54/29/68/568542968.db2.gz TXUTUYUQGYDOOH-FGZHOGPDSA-N 1 0 423.586 3.675 40 0 HHABRO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223277449 568543827 /nfs/dbraw/zinc/54/38/27/568543827.db2.gz XGZVYPFWXQSRDY-VXKWHMMOSA-N 1 0 405.571 3.715 40 0 HHABRO C[NH+]1CCN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)CC1 ZINC000223911450 568562812 /nfs/dbraw/zinc/56/28/12/568562812.db2.gz OQFKIDHKVPVXJL-UHFFFAOYSA-N 1 0 407.543 3.580 40 0 HHABRO COc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000224536860 568584025 /nfs/dbraw/zinc/58/40/25/568584025.db2.gz YJNFHTWKAQVVOE-UHFFFAOYSA-N 1 0 402.922 3.756 40 0 HHABRO CC1CC[NH+](CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000225582727 568654084 /nfs/dbraw/zinc/65/40/84/568654084.db2.gz CUOGFNYADZSUBN-UHFFFAOYSA-N 1 0 409.977 3.929 40 0 HHABRO COc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000225772283 568673454 /nfs/dbraw/zinc/67/34/54/568673454.db2.gz KMDGBKGDTACJFN-UHFFFAOYSA-N 1 0 415.559 3.663 40 0 HHABRO COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)C[NH+]4CCCCCC4)C3)o2)cc1 ZINC000257207275 568778277 /nfs/dbraw/zinc/77/82/77/568778277.db2.gz BHBOUHHDCUNBBM-FQEVSTJZSA-N 1 0 411.546 3.856 40 0 HHABRO CCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n(C)n1 ZINC000257208124 568778475 /nfs/dbraw/zinc/77/84/75/568778475.db2.gz BKWGBRVESMMNFJ-OXGLLWLOSA-N 1 0 406.574 3.729 40 0 HHABRO Cc1ncsc1C[NH+]1CCC(c2c3nccnc3sc2C(=O)N(C)C)CC1 ZINC000257220806 568782282 /nfs/dbraw/zinc/78/22/82/568782282.db2.gz DMFOUQVDAHQZKY-UHFFFAOYSA-N 1 0 401.561 3.538 40 0 HHABRO COCCc1ncc(C[N@@H+]2CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)cn1 ZINC000257245975 568789113 /nfs/dbraw/zinc/78/91/13/568789113.db2.gz IRYAAFGRTCZHEW-SFHVURJKSA-N 1 0 422.508 3.636 40 0 HHABRO COc1ccccc1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257258188 568792207 /nfs/dbraw/zinc/79/22/07/568792207.db2.gz KSSUTIHRDCPYLZ-LCTKTHOQSA-N 1 0 404.554 3.981 40 0 HHABRO Cc1nc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257267285 568794828 /nfs/dbraw/zinc/79/48/28/568794828.db2.gz MGPZKMXPCHIEOA-GOSISDBHSA-N 1 0 400.954 3.803 40 0 HHABRO COc1ccc(OCC(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)cc1 ZINC000257289395 568801325 /nfs/dbraw/zinc/80/13/25/568801325.db2.gz PYLMVYZFPGVKSC-LSHRBJLDSA-N 1 0 420.553 3.817 40 0 HHABRO Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257310551 568807603 /nfs/dbraw/zinc/80/76/03/568807603.db2.gz UFOUFWDNQXYDCD-INIZCTEOSA-N 1 0 422.510 3.991 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(OC)c4)C[C@H]32)cc1 ZINC000306123152 568886435 /nfs/dbraw/zinc/88/64/35/568886435.db2.gz AFSJFKAZZFBECZ-BJKOFHAPSA-N 1 0 417.509 3.587 40 0 HHABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(C)s4)CC2)CN(C)C3)cc1 ZINC000306126598 568889336 /nfs/dbraw/zinc/88/93/36/568889336.db2.gz DZVKZQAQTDYRSF-UHFFFAOYSA-N 1 0 423.586 3.760 40 0 HHABRO COc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)c1 ZINC000306128276 568891146 /nfs/dbraw/zinc/89/11/46/568891146.db2.gz GVVMNHSXINQNPB-GOTSBHOMSA-N 1 0 405.473 3.717 40 0 HHABRO COc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306131789 568894193 /nfs/dbraw/zinc/89/41/93/568894193.db2.gz KPTGHWJOPKTPSZ-RDGATRHJSA-N 1 0 422.573 3.701 40 0 HHABRO COc1cccc(C[N@@H+]2CC[C@@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)c1 ZINC000306139640 568901655 /nfs/dbraw/zinc/90/16/55/568901655.db2.gz TWLPSFHIBTUMQQ-QHCPKHFHSA-N 1 0 405.523 3.956 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@H]32)cc1 ZINC000306142643 568904209 /nfs/dbraw/zinc/90/42/09/568904209.db2.gz XFKHANSNBGKSCT-XZOQPEGZSA-N 1 0 405.473 3.717 40 0 HHABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OCC(N)=O ZINC000008253714 568938047 /nfs/dbraw/zinc/93/80/47/568938047.db2.gz QDSYHQBYAZYBPZ-UHFFFAOYSA-N 1 0 413.356 3.914 40 0 HHABRO COC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242620184 568968243 /nfs/dbraw/zinc/96/82/43/568968243.db2.gz PXATVBJBYUSZAX-KZNAEPCWSA-N 1 0 400.327 3.525 40 0 HHABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242649009 568968703 /nfs/dbraw/zinc/96/87/03/568968703.db2.gz RQRWOMWEVYHYQF-PWRODBHTSA-N 1 0 407.963 3.824 40 0 HHABRO CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328978241 568970870 /nfs/dbraw/zinc/97/08/70/568970870.db2.gz FXDDHBHAHIZFTA-GOSISDBHSA-N 1 0 424.467 3.929 40 0 HHABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329029767 568973795 /nfs/dbraw/zinc/97/37/95/568973795.db2.gz QBAPFHCKSPKCPP-GOSISDBHSA-N 1 0 419.367 3.793 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccn2)n1 ZINC000329046014 568974604 /nfs/dbraw/zinc/97/46/04/568974604.db2.gz TYXURMODFAXQPK-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO Cc1cc(Cl)cc(C)c1Nc1cc(C(F)(F)F)nc(NCCC[NH+](C)C)n1 ZINC000329071961 568976071 /nfs/dbraw/zinc/97/60/71/568976071.db2.gz ZUBALNURGWDGPZ-UHFFFAOYSA-N 1 0 401.864 3.717 40 0 HHABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CCO[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000035075050 569027785 /nfs/dbraw/zinc/02/77/85/569027785.db2.gz JRQXNTBMVRMIHL-VYVQKFEUSA-N 1 0 416.606 3.800 40 0 HHABRO COc1ccccc1N1CC[NH+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000026781037 569047860 /nfs/dbraw/zinc/04/78/60/569047860.db2.gz HZLDQCXPYGXAMB-NYLDSWQDSA-N 1 0 404.595 3.800 40 0 HHABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000248104923 569316204 /nfs/dbraw/zinc/31/62/04/569316204.db2.gz FSGUBIJXAQJZLO-AZUAARDMSA-N 1 0 418.541 3.556 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000019567738 569345630 /nfs/dbraw/zinc/34/56/30/569345630.db2.gz NYOKLTCMXIMYEY-VQIMIIECSA-N 1 0 415.559 3.640 40 0 HHABRO CNC(=O)c1cnc(C)nc1CC1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC000019756819 569348791 /nfs/dbraw/zinc/34/87/91/569348791.db2.gz AVFJFQXAMCTESP-UHFFFAOYSA-N 1 0 415.541 3.661 40 0 HHABRO Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1Cl ZINC000033788382 569351393 /nfs/dbraw/zinc/35/13/93/569351393.db2.gz AHORRDFLSLESRW-UHFFFAOYSA-N 1 0 402.951 3.527 40 0 HHABRO Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000108971975 569353637 /nfs/dbraw/zinc/35/36/37/569353637.db2.gz JOUIGWNVPQUNFF-UYRXBGFRSA-N 1 0 424.526 3.538 40 0 HHABRO Cc1nc(-c2ccco2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)Cc2cccs2)n1 ZINC000020462774 963389027 /nfs/dbraw/zinc/38/90/27/963389027.db2.gz GOBCDBQOTPKVIT-SCTDSRPQSA-N 1 0 422.554 3.643 40 0 biogenic,in-vitro HHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1ccccc1 ZINC000015673552 291258898 /nfs/dbraw/zinc/25/88/98/291258898.db2.gz SGHYWIDALSUHFY-SFTDATJTSA-N 1 0 419.525 3.728 40 0 biogenic,in-vitro HHABRO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc3c(c2)n(C)c(=O)n3C)s1 ZINC000043277896 524406904 /nfs/dbraw/zinc/40/69/04/524406904.db2.gz RTZZLKHWVJSAGJ-UHFFFAOYSA-N 1 0 409.559 3.536 40 0 HHABRO COc1ccc([C@@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)N2CCCC2)cc1 ZINC000040160727 525186708 /nfs/dbraw/zinc/18/67/08/525186708.db2.gz FWCOYFNNVFSUMQ-DNRSQYFGSA-N 1 0 424.585 3.877 40 0 HHABRO COc1cc(Br)c(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000001624476 557277090 /nfs/dbraw/zinc/27/70/90/557277090.db2.gz QKHZFXGDKKIIJA-MRXNPFEDSA-N 1 0 422.319 3.913 40 0 HHABRO C[NH+]1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408533742 557317839 /nfs/dbraw/zinc/31/78/39/557317839.db2.gz OZYGTKBLAYOBJV-UHFFFAOYSA-N 1 0 420.300 3.579 40 0 HHABRO CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2Cl)CC1 ZINC000006241941 557695716 /nfs/dbraw/zinc/69/57/16/557695716.db2.gz UWTHDVVZRSFLJG-UHFFFAOYSA-N 1 0 402.951 3.609 40 0 HHABRO CC1(C)CC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)[NH2+]1 ZINC000408707410 557733775 /nfs/dbraw/zinc/73/37/75/557733775.db2.gz AIMRZYMORDOTIS-UHFFFAOYSA-N 1 0 405.848 3.723 40 0 HHABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000008254424 557778470 /nfs/dbraw/zinc/77/84/70/557778470.db2.gz AEIMJOFAKDMXLO-UHFFFAOYSA-N 1 0 414.546 3.720 40 0 HHABRO COc1ccccc1CNC(=O)c1cnc(C2CC[NH+](C3CCCC3)CC2)nc1C ZINC000019766566 558278829 /nfs/dbraw/zinc/27/88/29/558278829.db2.gz YPYARLUTCYQADH-UHFFFAOYSA-N 1 0 408.546 3.846 40 0 HHABRO COc1ccc2c(c1)N[C@@]1(COC3(C1)CC[NH+](Cc1cccnc1)CC3)c1cccn1-2 ZINC000012086184 558321658 /nfs/dbraw/zinc/32/16/58/558321658.db2.gz NEICZSMYELBTSD-VWLOTQADSA-N 1 0 416.525 3.957 40 0 HHABRO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020110200 558335175 /nfs/dbraw/zinc/33/51/75/558335175.db2.gz PWZACIZLWRQQNV-IBGZPJMESA-N 1 0 423.557 3.937 40 0 HHABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+][C@H](C)c3ccc4c(c3)OCCO4)cc12 ZINC000012186467 558345630 /nfs/dbraw/zinc/34/56/30/558345630.db2.gz PCDCTAZSAIISHT-OAHLLOKOSA-N 1 0 416.481 3.644 40 0 HHABRO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000013266956 558528376 /nfs/dbraw/zinc/52/83/76/558528376.db2.gz ZYWFVJUVZCOOMF-UHFFFAOYSA-N 1 0 415.946 3.652 40 0 HHABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2)CC1 ZINC000038831690 558816925 /nfs/dbraw/zinc/81/69/25/558816925.db2.gz CXRIVQCLCXTMPW-UHFFFAOYSA-N 1 0 421.585 3.681 40 0 HHABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000019290179 558862733 /nfs/dbraw/zinc/86/27/33/558862733.db2.gz WLTHKWTYGREZHK-HXUWFJFHSA-N 1 0 402.546 3.857 40 0 HHABRO O=C(N[C@H]1CCCOC1)c1cc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)no1 ZINC000019293395 558865134 /nfs/dbraw/zinc/86/51/34/558865134.db2.gz RFYRECRWMTZDPJ-SFHVURJKSA-N 1 0 403.910 3.616 40 0 HHABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019370385 558878597 /nfs/dbraw/zinc/87/85/97/558878597.db2.gz VWTYPWDKTDFTLR-DHLKQENFSA-N 1 0 400.526 3.789 40 0 HHABRO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000019499248 558897459 /nfs/dbraw/zinc/89/74/59/558897459.db2.gz KHKJKRFPQFOTBI-MGPUTAFESA-N 1 0 403.548 3.640 40 0 HHABRO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000019499245 558897569 /nfs/dbraw/zinc/89/75/69/558897569.db2.gz KHKJKRFPQFOTBI-QRWLVFNGSA-N 1 0 403.548 3.640 40 0 HHABRO CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019499846 558897748 /nfs/dbraw/zinc/89/77/48/558897748.db2.gz IGIJKYZXMNJXEO-UZLBHIALSA-N 1 0 400.567 3.830 40 0 HHABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000019500958 558898769 /nfs/dbraw/zinc/89/87/69/558898769.db2.gz MOCJEIJGQSQJSH-GBESFXJTSA-N 1 0 402.539 3.651 40 0 HHABRO CCN1CC[N@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527398 558908502 /nfs/dbraw/zinc/90/85/02/558908502.db2.gz BWSUURNNFUUOSR-XMMPIXPASA-N 1 0 414.553 3.975 40 0 HHABRO CCN1CC[N@H+](Cc2cccnc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527402 558908543 /nfs/dbraw/zinc/90/85/43/558908543.db2.gz FSYDZQHICVTNCW-XMMPIXPASA-N 1 0 400.526 3.667 40 0 HHABRO CCN1CC[N@H+](Cc2cccnc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527403 558908599 /nfs/dbraw/zinc/90/85/99/558908599.db2.gz FSYDZQHICVTNCW-DEOSSOPVSA-N 1 0 400.526 3.667 40 0 HHABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019528742 558909960 /nfs/dbraw/zinc/90/99/60/558909960.db2.gz AOAHBYWRRJOJMR-XMMPIXPASA-N 1 0 404.514 3.698 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)c(OC)c1 ZINC000019552222 558915920 /nfs/dbraw/zinc/91/59/20/558915920.db2.gz HUJYABJZPZLKSL-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4scnc4C)o3)C2)c1OC ZINC000019562816 558923371 /nfs/dbraw/zinc/92/33/71/558923371.db2.gz PXUMYRVWZNWLLZ-HNNXBMFYSA-N 1 0 400.504 3.898 40 0 HHABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)N4CCCCC4)on3)CC2)c1OC ZINC000019567661 558926828 /nfs/dbraw/zinc/92/68/28/558926828.db2.gz JSDIAMGBFUDDBQ-UHFFFAOYSA-N 1 0 413.518 3.698 40 0 HHABRO COc1ccc2c(c1)N[C@]1(COC3(C1)CC[NH+](Cc1ccccn1)CC3)c1cccn1-2 ZINC000072327208 558933823 /nfs/dbraw/zinc/93/38/23/558933823.db2.gz IYGFEIVJHTYRFB-RUZDIDTESA-N 1 0 416.525 3.957 40 0 HHABRO COc1cccc(Cn2c3cc(C)sc3c3cnn(CC[NH+]4CCCC4)c(=O)c32)c1 ZINC000072334544 558935589 /nfs/dbraw/zinc/93/55/89/558935589.db2.gz SCJRDRGRZQCXSJ-UHFFFAOYSA-N 1 0 422.554 3.874 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000072337784 558938075 /nfs/dbraw/zinc/93/80/75/558938075.db2.gz NEVQXBZFGBLFPC-RXVVDRJESA-N 1 0 422.554 3.930 40 0 HHABRO COc1coc(C(=O)N(C)C2CCC3(CC2)C[N@H+](C)Cc2ccccc2O3)c1OC ZINC000019590882 558940931 /nfs/dbraw/zinc/94/09/31/558940931.db2.gz BKSRXBLNQUXGRZ-UHFFFAOYSA-N 1 0 414.502 3.575 40 0 HHABRO CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591323 558941741 /nfs/dbraw/zinc/94/17/41/558941741.db2.gz LXFWPVDHPDVZRO-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO Cc1ccc(-c2nc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)sc2C[NH+](C)C)cc1 ZINC000019659734 558951068 /nfs/dbraw/zinc/95/10/68/558951068.db2.gz CMTBVKMLLOCIMT-INIZCTEOSA-N 1 0 414.575 3.766 40 0 HHABRO COc1ccc(CC(=O)N2CC[N@@H+](C3CCCC3)C[C@@H](Cc3ccccn3)C2)cc1 ZINC000072355164 558952498 /nfs/dbraw/zinc/95/24/98/558952498.db2.gz GMXFEVCUPCEVRX-OAQYLSRUSA-N 1 0 407.558 3.578 40 0 HHABRO CC[NH+](CC)CC(=O)N1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370397 558956763 /nfs/dbraw/zinc/95/67/63/558956763.db2.gz YMPWHLDTJOMGDH-MRXNPFEDSA-N 1 0 401.576 3.526 40 0 HHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000019688563 558958144 /nfs/dbraw/zinc/95/81/44/558958144.db2.gz FSBHEUQYLAWZEW-SFHVURJKSA-N 1 0 401.501 3.998 40 0 HHABRO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000072371730 558958750 /nfs/dbraw/zinc/95/87/50/558958750.db2.gz HXNQHWYRNQQLME-LJQANCHMSA-N 1 0 421.545 3.943 40 0 HHABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C)c1 ZINC000019689387 558958748 /nfs/dbraw/zinc/95/87/48/558958748.db2.gz YEKJPXODTJBOAL-NRFANRHFSA-N 1 0 406.534 3.597 40 0 HHABRO Cn1c(CNc2n[nH]c3nc([C@H]4CCC[NH2+]4)cc(C(F)(F)F)c23)nc2ccccc21 ZINC000072380745 558968933 /nfs/dbraw/zinc/96/89/33/558968933.db2.gz ALRODYKVCLUMLA-GFCCVEGCSA-N 1 0 415.423 3.900 40 0 HHABRO c1ccc(OCCn2nc(C3CC[NH+](Cc4ccncc4)CC3)c3nccnc32)cc1 ZINC000072395855 558974698 /nfs/dbraw/zinc/97/46/98/558974698.db2.gz NLQQWMYFDYXTPC-UHFFFAOYSA-N 1 0 414.513 3.680 40 0 HHABRO CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2OC)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395736 558974851 /nfs/dbraw/zinc/97/48/51/558974851.db2.gz ABSZVJNMAAOBKA-YADHBBJMSA-N 1 0 421.541 3.690 40 0 HHABRO CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395737 558974866 /nfs/dbraw/zinc/97/48/66/558974866.db2.gz ABJYKGWFHXZKQU-IRLDBZIGSA-N 1 0 409.505 3.820 40 0 HHABRO COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)CC1=O ZINC000019715118 558975667 /nfs/dbraw/zinc/97/56/67/558975667.db2.gz ZWCRTUQYBIMOAT-IBGZPJMESA-N 1 0 407.514 3.591 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000072398553 558976048 /nfs/dbraw/zinc/97/60/48/558976048.db2.gz RRHPAUUBXJDDLQ-XXBNENTESA-N 1 0 409.530 3.578 40 0 HHABRO COc1ccccc1CNc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[nH]1 ZINC000019717533 558980323 /nfs/dbraw/zinc/98/03/23/558980323.db2.gz YRMGKJUPDUCUIT-UHFFFAOYSA-N 1 0 405.502 3.578 40 0 HHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000257367401 559017811 /nfs/dbraw/zinc/01/78/11/559017811.db2.gz IVJYZQQPTKUMQX-LQBJFXQCSA-N 1 0 400.563 3.824 40 0 HHABRO CN(C)c1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3C[C@@H]3CCCO3)C2)c2ccccc21 ZINC000585101944 559025030 /nfs/dbraw/zinc/02/50/30/559025030.db2.gz NBHQEGVWMSRCNP-DFBJGRDBSA-N 1 0 407.558 3.765 40 0 HHABRO CC(C)(C)CCNC(=O)[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101957 559025046 /nfs/dbraw/zinc/02/50/46/559025046.db2.gz KZSGGDKKUFQAMO-JOCHJYFZSA-N 1 0 424.589 3.653 40 0 HHABRO O=C(Cc1ccccc1)N1CCC2(C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000585113442 559031256 /nfs/dbraw/zinc/03/12/56/559031256.db2.gz HZBBVSFZDAXYDG-AREMUKBSSA-N 1 0 404.554 3.760 40 0 HHABRO O=C(Cc1cccc(F)c1)N1CCC2(C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000585113511 559031389 /nfs/dbraw/zinc/03/13/89/559031389.db2.gz VNZSGCKVCHNYQO-AREMUKBSSA-N 1 0 422.544 3.900 40 0 HHABRO CCN1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037146 559090925 /nfs/dbraw/zinc/09/09/25/559090925.db2.gz IQUCZUKEHSTFLS-UHFFFAOYSA-N 1 0 418.534 3.511 40 0 HHABRO CC[NH+](CC)CCCNC(=O)c1cc(-c2cnc(Nc3ccccc3)nc2)cn1C ZINC000096037611 559091411 /nfs/dbraw/zinc/09/14/11/559091411.db2.gz CVVQQXPLEQZONQ-UHFFFAOYSA-N 1 0 406.534 3.687 40 0 HHABRO COc1cccc(CC(=O)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221025 559101998 /nfs/dbraw/zinc/10/19/98/559101998.db2.gz YCNXFWRTTVANLL-JOCHJYFZSA-N 1 0 408.542 3.520 40 0 HHABRO CC(C)CC[NH+]1CCC2(CC1)O[C@H](C(=O)Nc1cccc(Cl)c1)Cn1ccnc12 ZINC000096262985 559106927 /nfs/dbraw/zinc/10/69/27/559106927.db2.gz JMFBMKNHLPRDBZ-IBGZPJMESA-N 1 0 416.953 3.911 40 0 HHABRO C[N@@H+]1CCCN(C(=O)c2ccc3onc(-c4coc(-c5ccccc5)n4)c3c2)CC1 ZINC000096266472 559107728 /nfs/dbraw/zinc/10/77/28/559107728.db2.gz VAHSLQVYUNBLCR-UHFFFAOYSA-N 1 0 402.454 3.928 40 0 HHABRO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585262771 559111034 /nfs/dbraw/zinc/11/10/34/559111034.db2.gz DKIKZOWBNHQLLC-ZEQRLZLVSA-N 1 0 413.606 3.582 40 0 HHABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)c2)n1 ZINC000585290295 559122782 /nfs/dbraw/zinc/12/27/82/559122782.db2.gz ABOCREYKFSRRNG-DKFQHHCZSA-N 1 0 417.517 3.683 40 0 HHABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000048373994 559177400 /nfs/dbraw/zinc/17/74/00/559177400.db2.gz RVCSGXJZYCBWOW-XFLNKKNVSA-N 1 0 412.599 3.973 40 0 HHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000113947953 559182674 /nfs/dbraw/zinc/18/26/74/559182674.db2.gz GKBTXSBYLDPFEO-HXUWFJFHSA-N 1 0 406.574 3.923 40 0 HHABRO CC[NH+]1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069914 559272796 /nfs/dbraw/zinc/27/27/96/559272796.db2.gz RJTBDPRPIQSYQY-QFIPXVFZSA-N 1 0 420.638 3.794 40 0 HHABRO O=C1CO[C@@]2(CN1CCc1ccccc1)CCC[N@H+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000257339498 559283457 /nfs/dbraw/zinc/28/34/57/559283457.db2.gz ZBZOQHDWLRMMFT-SANMLTNESA-N 1 0 417.553 3.994 40 0 HHABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000004133436 560600497 /nfs/dbraw/zinc/60/04/97/560600497.db2.gz WWBXTLVCCBGGKP-UHFFFAOYSA-N 1 0 422.598 3.529 40 0 HHABRO CC[NH+](CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=S)NCC(C)C ZINC000004133750 560600754 /nfs/dbraw/zinc/60/07/54/560600754.db2.gz PHFAHHBOMDPVDZ-UHFFFAOYSA-N 1 0 402.608 3.511 40 0 HHABRO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000004231342 560603081 /nfs/dbraw/zinc/60/30/81/560603081.db2.gz GTCRRIMGJQLMRJ-UHFFFAOYSA-N 1 0 410.493 3.961 40 0 HHABRO Cc1sc(NC(=O)C[NH2+]CC(C)(c2ccccc2)c2ccccc2)c(C(N)=O)c1C ZINC000004647972 560608041 /nfs/dbraw/zinc/60/80/41/560608041.db2.gz BCORPUHPOYDSGT-UHFFFAOYSA-N 1 0 421.566 3.998 40 0 HHABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@H]2c2ccccc2)c1 ZINC000409056465 560670386 /nfs/dbraw/zinc/67/03/86/560670386.db2.gz RKAAUIVATIYEEH-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409056671 560670401 /nfs/dbraw/zinc/67/04/01/560670401.db2.gz HSSSLAKFAWVAQU-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000409059070 560670895 /nfs/dbraw/zinc/67/08/95/560670895.db2.gz QSZSMTUCEFFIGI-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409054569 560671358 /nfs/dbraw/zinc/67/13/58/560671358.db2.gz BYNVZQHSHCMKCB-HTZJYPRQSA-O 1 0 412.513 3.628 40 0 HHABRO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1Cl ZINC000010544013 560770343 /nfs/dbraw/zinc/77/03/43/560770343.db2.gz PTGLRMYHWVWWGR-STQMWFEESA-N 1 0 409.379 3.648 40 0 HHABRO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000013768266 560827762 /nfs/dbraw/zinc/82/77/62/560827762.db2.gz ZVKBSENSURYYII-YFNKSVMNSA-N 1 0 400.563 3.812 40 0 HHABRO C[C@H](CC[NH+](C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118924589 560870136 /nfs/dbraw/zinc/87/01/36/560870136.db2.gz HBDQZJAFAVGPSS-WVBRLYNLSA-N 1 0 407.639 3.536 40 0 HHABRO Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019369648 560872871 /nfs/dbraw/zinc/87/28/71/560872871.db2.gz HYJAHYVZMPGRSB-HSZRJFAPSA-N 1 0 420.536 3.510 40 0 HHABRO COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000022075738 568473945 /nfs/dbraw/zinc/47/39/45/568473945.db2.gz HCZQIGPHYIBHDQ-AWEZNQCLSA-N 1 0 413.345 3.641 40 0 HHABRO CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929733 568500585 /nfs/dbraw/zinc/50/05/85/568500585.db2.gz OYNQIALRDYCSBI-FQEVSTJZSA-N 1 0 402.612 3.820 40 0 HHABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1cccnc1 ZINC000223451716 568549289 /nfs/dbraw/zinc/54/92/89/568549289.db2.gz NVPYJXZLAZMMIT-FGZHOGPDSA-N 1 0 412.522 3.835 40 0 HHABRO Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000224329710 568578028 /nfs/dbraw/zinc/57/80/28/568578028.db2.gz KEBOZKKVXPMSOD-XLNRJJMWSA-N 1 0 409.530 3.597 40 0 HHABRO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000225269493 568626977 /nfs/dbraw/zinc/62/69/77/568626977.db2.gz JZHSORIFZQAUFC-LJQANCHMSA-N 1 0 400.906 3.508 40 0 HHABRO COc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000225900922 568684447 /nfs/dbraw/zinc/68/44/47/568684447.db2.gz NYFMIXVIFJCCGE-FQEVSTJZSA-N 1 0 412.530 3.583 40 0 HHABRO CCOC(=O)N1C[C@]2(NC(C)=O)CC[N@H+](Cc3ccccc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000226076099 568693043 /nfs/dbraw/zinc/69/30/43/568693043.db2.gz NTKAEMXYUGWFRO-VDKIKQQVSA-N 1 0 421.541 3.597 40 0 HHABRO CN(CC[NH+](C)C)C(=O)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 ZINC000257277980 568797930 /nfs/dbraw/zinc/79/79/30/568797930.db2.gz OAGGHFFEHYWMGD-UHFFFAOYSA-N 1 0 416.512 3.991 40 0 HHABRO COc1ccccc1CCC(=O)N1CC[C@H](c2cc(Nc3ncccn3)cc(C)[nH+]2)C1 ZINC000257279973 568798491 /nfs/dbraw/zinc/79/84/91/568798491.db2.gz OIYGNVBNHNLBPQ-IBGZPJMESA-N 1 0 417.513 3.881 40 0 HHABRO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 ZINC000257281400 568798991 /nfs/dbraw/zinc/79/89/91/568798991.db2.gz OOZGAOPUARDUKY-CQSZACIVSA-N 1 0 401.561 3.682 40 0 HHABRO CN(C)C(=O)c1sc2nc([C@@]3(C)CCC[N@H+](Cc4cncs4)C3)ccc2c1N ZINC000257290676 568801677 /nfs/dbraw/zinc/80/16/77/568801677.db2.gz QDXAKIPAHXNMFM-FQEVSTJZSA-N 1 0 415.588 3.591 40 0 HHABRO CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000257317130 568809435 /nfs/dbraw/zinc/80/94/35/568809435.db2.gz VINCCBVEAJPLMI-LJQANCHMSA-N 1 0 424.611 3.706 40 0 HHABRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](CCc2ccccc2)Cc2cccs2)C1 ZINC000257331220 568813505 /nfs/dbraw/zinc/81/35/05/568813505.db2.gz XRWKUSATQJXDRF-WOJBJXKFSA-N 1 0 402.560 3.773 40 0 HHABRO CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)cc1 ZINC000306123583 568886859 /nfs/dbraw/zinc/88/68/59/568886859.db2.gz AQWWRMSKOULGLX-DEOSSOPVSA-N 1 0 408.546 3.902 40 0 HHABRO Clc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306129932 568892278 /nfs/dbraw/zinc/89/22/78/568892278.db2.gz IRCYABBMVSIKGV-SFHVURJKSA-N 1 0 411.937 3.599 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccc(C)c4)C[C@H]32)cc1 ZINC000306135519 568897595 /nfs/dbraw/zinc/89/75/95/568897595.db2.gz OTWKLBWLBVLVFO-DNQXCXABSA-N 1 0 401.510 3.887 40 0 HHABRO CC(C)c1nc2c(s1)CN(C(=O)C1CC1)CC21CC[NH+](Cc2cccnc2)CC1 ZINC000306137176 568899096 /nfs/dbraw/zinc/89/90/96/568899096.db2.gz QNPNXHDQIHYMJP-UHFFFAOYSA-N 1 0 410.587 3.948 40 0 HHABRO COc1cccc(C[N@@H+]2CC[C@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)c1 ZINC000306139639 568901582 /nfs/dbraw/zinc/90/15/82/568901582.db2.gz TWLPSFHIBTUMQQ-HSZRJFAPSA-N 1 0 405.523 3.956 40 0 HHABRO Cn1[n-]c2c(c1=O)C[N@H+](Cc1ccc(F)cc1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306143629 568905112 /nfs/dbraw/zinc/90/51/12/568905112.db2.gz YHCMKIKETYTJNE-UHFFFAOYSA-N 1 0 420.532 3.814 40 0 HHABRO [NH3+]C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218240804 568928572 /nfs/dbraw/zinc/92/85/72/568928572.db2.gz SXWKMLYESVXEBA-BZUAXINKSA-N 1 0 400.725 3.617 40 0 HHABRO Cc1ccc(Cl)c(C)c1Nc1cc(C(F)(F)F)nc(NCCC[NH+](C)C)n1 ZINC000328968529 568970517 /nfs/dbraw/zinc/97/05/17/568970517.db2.gz DAMFWHSDYYPXML-UHFFFAOYSA-N 1 0 401.864 3.717 40 0 HHABRO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000329070876 568975837 /nfs/dbraw/zinc/97/58/37/568975837.db2.gz ZKOQCDTWZWFDCQ-CYBMUJFWSA-N 1 0 405.340 3.718 40 0 HHABRO Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccccn1 ZINC000035415802 569036039 /nfs/dbraw/zinc/03/60/39/569036039.db2.gz AZWBXGPXYJMOJK-BWAGFHJFSA-N 1 0 405.521 3.589 40 0 biogenic,in-vitro HHABRO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C(C)(C)C)c1 ZINC000027531062 569047362 /nfs/dbraw/zinc/04/73/62/569047362.db2.gz YXKZGVIKVVBUAB-NRFANRHFSA-N 1 0 400.538 3.994 40 0 HHABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc(OC)c1OC ZINC000247908449 569315721 /nfs/dbraw/zinc/31/57/21/569315721.db2.gz TVBPJBMXYGMPJD-NVVBAYIOSA-N 1 0 401.478 3.581 40 0 HHABRO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009062710 569342226 /nfs/dbraw/zinc/34/22/26/569342226.db2.gz NAWHRBSCGJLVKC-KRWDZBQOSA-N 1 0 400.494 3.630 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000019567726 569345653 /nfs/dbraw/zinc/34/56/53/569345653.db2.gz QUDIYISPMHIWQV-XMSQKQJNSA-N 1 0 409.530 3.578 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000019560956 569345681 /nfs/dbraw/zinc/34/56/81/569345681.db2.gz XNXDUYBJVOOIQD-YLJYHZDGSA-N 1 0 415.559 3.640 40 0 HHABRO COc1ccc(-c2nc([C@H]3CCC[N@H+](CCc4ccccc4)C3)[nH]c2C(N)=O)cc1 ZINC000019698969 569346921 /nfs/dbraw/zinc/34/69/21/569346921.db2.gz XQCIUDWNDZNJJQ-IBGZPJMESA-N 1 0 404.514 3.606 40 0 HHABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702135 569347380 /nfs/dbraw/zinc/34/73/80/569347380.db2.gz AWVAZPUOXFFXHA-DQSGYLJSSA-N 1 0 421.566 3.911 40 0 HHABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3cnn4cc(C)cnc34)c2)C1 ZINC000019712188 569348256 /nfs/dbraw/zinc/34/82/56/569348256.db2.gz FONZHQUYLNEDHW-CTNGQTDRSA-N 1 0 407.518 3.852 40 0 HHABRO CNc1cc(CN(C)C(=O)C2(c3cccc(F)c3)CCCC2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759826 569429613 /nfs/dbraw/zinc/42/96/13/569429613.db2.gz KLAYMJJBMKPZAH-LJQANCHMSA-N 1 0 411.525 3.552 40 0 HHABRO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c(C)n(C)c4ccccc34)C2=O)cc1 ZINC000004571260 291249529 /nfs/dbraw/zinc/24/95/29/291249529.db2.gz YBOBIJKMDUJMIZ-JOCHJYFZSA-N 1 0 419.525 3.740 40 0 HHABRO COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](CC3CCCCC3)CC2)cs1 ZINC000225466033 291251762 /nfs/dbraw/zinc/25/17/62/291251762.db2.gz NSLLVUGLGZGWQC-LJQANCHMSA-N 1 0 407.624 3.618 40 0 biogenic,in-vitro HHABRO CC(=O)N(CC[C@@](CC[NH+]1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000004212146 557529194 /nfs/dbraw/zinc/52/91/94/557529194.db2.gz GTEPPJFJSNSNIH-JOCHJYFZSA-N 1 0 407.986 3.586 40 0 investigational HHABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000007448713 557741853 /nfs/dbraw/zinc/74/18/53/557741853.db2.gz PJUWSQQSJBIAPX-UHFFFAOYSA-N 1 0 405.542 3.725 40 0 HHABRO Cc1ccc([C@@]2(O)CCN(C(=O)CC3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000019719879 558258448 /nfs/dbraw/zinc/25/84/48/558258448.db2.gz IVPJTKLZLCJHOK-AREMUKBSSA-N 1 0 406.570 3.760 40 0 HHABRO Cc1ccc([C@H](Cn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)[NH+](C)C)cc1 ZINC000019719977 558258779 /nfs/dbraw/zinc/25/87/79/558258779.db2.gz OPVZKWVHFCEQKP-QHCPKHFHSA-N 1 0 403.530 3.660 40 0 HHABRO COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+](CC5CC5)C4)nc32)c1 ZINC000019741421 558262044 /nfs/dbraw/zinc/26/20/44/558262044.db2.gz LQRHSMRMYMAHJW-HXUWFJFHSA-N 1 0 420.557 3.862 40 0 HHABRO COc1cccc(CNc2cc(CC3CC[NH+](Cc4ccnn4C)CC3)nc(C)n2)c1 ZINC000019752160 558271989 /nfs/dbraw/zinc/27/19/89/558271989.db2.gz HUOYUENQUVXJTI-UHFFFAOYSA-N 1 0 420.561 3.594 40 0 HHABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000012144917 558336152 /nfs/dbraw/zinc/33/61/52/558336152.db2.gz FSGUBIJXAQJZLO-ICSRJNTNSA-N 1 0 418.541 3.556 40 0 HHABRO Cn1cc(C(=O)NC2CC[NH+](C[C@H](c3ccccc3)C3CCCCC3)CC2)ccc1=O ZINC000012188824 558347464 /nfs/dbraw/zinc/34/74/64/558347464.db2.gz RDXMBWAEVIIPDI-XMMPIXPASA-N 1 0 421.585 3.944 40 0 HHABRO CC1CCC([N@H+](CC(=O)N2[C@@H]3CC[C@H]2Cc2nnsc23)Cc2ccco2)CC1 ZINC000012235699 558358792 /nfs/dbraw/zinc/35/87/92/558358792.db2.gz VWNFRHCXCFUZMA-IADFQQGMSA-N 1 0 400.548 3.800 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)C[C@H]2O ZINC000012329746 558384558 /nfs/dbraw/zinc/38/45/58/558384558.db2.gz YQEYMLMMDKTXRW-WOJBJXKFSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329758 558384599 /nfs/dbraw/zinc/38/45/99/558384599.db2.gz GFKMZNTXUDFXMH-WOJBJXKFSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCCC4)CC1)C[C@H]2O ZINC000012330253 558385230 /nfs/dbraw/zinc/38/52/30/558385230.db2.gz OVCVEWHEMTXRCE-RPWUZVMVSA-N 1 0 423.553 3.958 40 0 HHABRO COc1cc(C)c(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1OC ZINC000012344464 558386566 /nfs/dbraw/zinc/38/65/66/558386566.db2.gz HCMHYZLFAKKNMC-UHFFFAOYSA-N 1 0 400.494 3.779 40 0 HHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3ccccc3F)C1)O2 ZINC000012407699 558398434 /nfs/dbraw/zinc/39/84/34/558398434.db2.gz CVVADQOJEXTCJE-YADARESESA-N 1 0 412.505 3.856 40 0 HHABRO O=C(Nc1ccccc1C(=O)N1CCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039766439 558685915 /nfs/dbraw/zinc/68/59/15/558685915.db2.gz UXNLXFLVDJSANW-UHFFFAOYSA-N 1 0 409.505 3.912 40 0 HHABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1Cl ZINC000030326270 558728834 /nfs/dbraw/zinc/72/88/34/558728834.db2.gz AFNPORPSSJPXSF-UHFFFAOYSA-N 1 0 408.951 3.813 40 0 HHABRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCCN2CCOCC2)c(OC)c1 ZINC000036741532 558802210 /nfs/dbraw/zinc/80/22/10/558802210.db2.gz QJUNHDBMSPINDY-HXUWFJFHSA-N 1 0 416.587 3.977 40 0 HHABRO O=C(COc1ccc(Br)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374615 558840355 /nfs/dbraw/zinc/84/03/55/558840355.db2.gz LDTITKWRLFQYJF-UHFFFAOYSA-N 1 0 403.320 3.740 40 0 HHABRO Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)on1 ZINC000019122239 558843726 /nfs/dbraw/zinc/84/37/26/558843726.db2.gz VAWHDFKYAKGKSH-IBGZPJMESA-N 1 0 404.518 3.815 40 0 HHABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000019133405 558845821 /nfs/dbraw/zinc/84/58/21/558845821.db2.gz FZRPREJZOLOCOH-UWWQBHOKSA-N 1 0 409.456 3.795 40 0 HHABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccc(Oc5ncccn5)cc4)C[C@@H]32)nc1 ZINC000019216123 558850082 /nfs/dbraw/zinc/85/00/82/558850082.db2.gz UPOAEJFTPMJDBD-NHCICSSKSA-N 1 0 402.498 3.702 40 0 HHABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)ccc1OC(F)F ZINC000019215991 558850130 /nfs/dbraw/zinc/85/01/30/558850130.db2.gz JDCWYSFUDBFZEQ-JKSBSHDWSA-N 1 0 404.457 3.730 40 0 HHABRO Cc1cccc(C[N@H+]2CCN(C)C(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)n1 ZINC000019236287 558855283 /nfs/dbraw/zinc/85/52/83/558855283.db2.gz RJHMSSCWLFLZSO-HSZRJFAPSA-N 1 0 400.526 3.585 40 0 HHABRO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)c1OC ZINC000019285538 558860109 /nfs/dbraw/zinc/86/01/09/558860109.db2.gz JISGHFIRBPEBOK-RBUKOAKNSA-N 1 0 423.488 3.618 40 0 HHABRO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccc(F)cc2)CN3C(=O)c2ccccc2)cn1 ZINC000019290706 558863067 /nfs/dbraw/zinc/86/30/67/558863067.db2.gz ZIAXUUYRNKHTCK-HJOGWXRNSA-N 1 0 418.516 3.690 40 0 HHABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000019291415 558863728 /nfs/dbraw/zinc/86/37/28/558863728.db2.gz TYCFDUCIRWPJIC-KEVCNVLYSA-N 1 0 418.541 3.514 40 0 HHABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2cnccn2)[nH]1 ZINC000019292894 558864789 /nfs/dbraw/zinc/86/47/89/558864789.db2.gz IJHLTRMINBBYHH-CQSZACIVSA-N 1 0 416.312 3.913 40 0 HHABRO O=C([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019332319 558868716 /nfs/dbraw/zinc/86/87/16/558868716.db2.gz QZEFSQAETYTBBX-FCHUYYIVSA-N 1 0 419.997 3.580 40 0 HHABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000019370427 558878667 /nfs/dbraw/zinc/87/86/67/558878667.db2.gz JNPGECSVGHDXIH-RUZDIDTESA-N 1 0 400.526 3.789 40 0 HHABRO O=C(c1cc(C2CC[NH+](Cc3cccc4ccccc43)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019376366 558882233 /nfs/dbraw/zinc/88/22/33/558882233.db2.gz JHDBNEISDOQAQH-OAQYLSRUSA-N 1 0 419.525 3.804 40 0 HHABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000019456839 558892270 /nfs/dbraw/zinc/89/22/70/558892270.db2.gz ISRXQDNCRAXWGA-OSPHWJPCSA-N 1 0 409.530 3.578 40 0 HHABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000019456837 558892289 /nfs/dbraw/zinc/89/22/89/558892289.db2.gz ISRXQDNCRAXWGA-BXKMTCNYSA-N 1 0 409.530 3.578 40 0 HHABRO C[C@H]1C[C@H](C)C[NH+](Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019462587 558894086 /nfs/dbraw/zinc/89/40/86/558894086.db2.gz BZHUICHNRVUVJW-IRXDYDNUSA-N 1 0 409.578 3.942 40 0 HHABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C(C)(C)C)[nH]c(=O)c3C2)CC1 ZINC000019495971 558894780 /nfs/dbraw/zinc/89/47/80/558894780.db2.gz UKFAYRZDONEYQG-RJYAGPCLSA-N 1 0 400.567 3.829 40 0 HHABRO C[C@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000019497333 558896155 /nfs/dbraw/zinc/89/61/55/558896155.db2.gz CVWXBAAMDBGOQY-HOTGVXAUSA-N 1 0 416.953 3.692 40 0 HHABRO CCN1CC[N@H+](Cc2cccnc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527718 558909046 /nfs/dbraw/zinc/90/90/46/558909046.db2.gz OEXWWNNEEGQGQR-HSZRJFAPSA-N 1 0 400.526 3.667 40 0 HHABRO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019528743 558909950 /nfs/dbraw/zinc/90/99/50/558909950.db2.gz AOAHBYWRRJOJMR-DEOSSOPVSA-N 1 0 404.514 3.698 40 0 HHABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530045 558911222 /nfs/dbraw/zinc/91/12/22/558911222.db2.gz DUFAETVUVTZTPF-GAJHUEQPSA-N 1 0 416.493 3.705 40 0 HHABRO COc1ccc(-c2ncc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)cn2)cc1 ZINC000019558577 558920357 /nfs/dbraw/zinc/92/03/57/558920357.db2.gz WUENHTICLZLIPK-OFFJZUQKSA-N 1 0 416.525 3.667 40 0 HHABRO Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1CN1CC[NH+](C)CC1 ZINC000019561116 558921891 /nfs/dbraw/zinc/92/18/91/558921891.db2.gz DKTOUOOOBKBWKP-UHFFFAOYSA-N 1 0 407.543 3.513 40 0 HHABRO COc1cccc(C[N@@H+]2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019564713 558924881 /nfs/dbraw/zinc/92/48/81/558924881.db2.gz MUEOCEPWZSDPLI-VWLOTQADSA-N 1 0 401.510 3.677 40 0 HHABRO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2oc4ccccc4c2C)C3)c(OC)n1 ZINC000019566330 558926099 /nfs/dbraw/zinc/92/60/99/558926099.db2.gz XHSWTLSDFBYKCD-LDSCYUJKSA-N 1 0 423.513 3.668 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000072337782 558937984 /nfs/dbraw/zinc/93/79/84/558937984.db2.gz DZBKPGVPPVYZQS-RXVVDRJESA-N 1 0 422.554 3.930 40 0 HHABRO COC(=O)[C@@]1(Cc2ccccc2F)C(=O)C[C@@H]2CC[C@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340199 558939075 /nfs/dbraw/zinc/93/90/75/558939075.db2.gz GWYJRECSVIZORY-SNYIIPAISA-N 1 0 411.473 3.542 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019591698 558942428 /nfs/dbraw/zinc/94/24/28/558942428.db2.gz ZFZZGHMFLOVJHV-AREMUKBSSA-N 1 0 415.537 3.938 40 0 HHABRO CCn1c2ccccc2nc1N1CCC(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000072347655 558944696 /nfs/dbraw/zinc/94/46/96/558944696.db2.gz BBFSMFHTXJNNFF-UHFFFAOYSA-N 1 0 411.594 3.511 40 0 HHABRO COCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019593793 558944834 /nfs/dbraw/zinc/94/48/34/558944834.db2.gz VOPDTBQEGVUCEW-JOCHJYFZSA-N 1 0 420.513 3.997 40 0 HHABRO COCCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000019593873 558945149 /nfs/dbraw/zinc/94/51/49/558945149.db2.gz MAMHKNAQFLUGQG-VSQYNUGQSA-N 1 0 411.546 3.745 40 0 HHABRO COc1cccc(Cc2cccc([C@H]3CCC[N@H+](CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072348714 558945471 /nfs/dbraw/zinc/94/54/71/558945471.db2.gz YQAGFDZYXIYSPA-NRFANRHFSA-N 1 0 407.558 3.873 40 0 HHABRO CCn1cc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)cn1 ZINC000072352193 558948291 /nfs/dbraw/zinc/94/82/91/558948291.db2.gz XEPNYYFFYDMPDB-GOSISDBHSA-N 1 0 424.570 3.580 40 0 HHABRO O=C(C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1ccnc1 ZINC000019658486 558950531 /nfs/dbraw/zinc/95/05/31/558950531.db2.gz CCKBUXMRQZCPAY-GOSISDBHSA-N 1 0 414.513 3.642 40 0 HHABRO CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000019662404 558953443 /nfs/dbraw/zinc/95/34/43/558953443.db2.gz KMTZADORKLQQHB-UHFFFAOYSA-N 1 0 407.558 3.781 40 0 HHABRO COCCN1CC=CC[C@@H](C2CC[NH+](Cc3ccccc3OCC(C)C)CC2)C1=O ZINC000072371085 558957638 /nfs/dbraw/zinc/95/76/38/558957638.db2.gz FDSJPFWEEDPCKP-QHCPKHFHSA-N 1 0 414.590 3.985 40 0 HHABRO Cc1nc(C2CC[NH+](CC3CC3)CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000072371142 558957690 /nfs/dbraw/zinc/95/76/90/558957690.db2.gz BXQSGLGEUPLOEH-UHFFFAOYSA-N 1 0 408.521 3.993 40 0 HHABRO Cc1cccc(CNC(=O)C2(Cc3cccc([C@H]4CCC[N@@H+](C)C4)c3)CCOCC2)n1 ZINC000072372266 558959470 /nfs/dbraw/zinc/95/94/70/558959470.db2.gz KGZWYOBVAZNDKZ-QHCPKHFHSA-N 1 0 421.585 3.855 40 0 HHABRO Cc1cnc(CCNC(=O)c2ccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)nc2)s1 ZINC000072374392 558961932 /nfs/dbraw/zinc/96/19/32/558961932.db2.gz ZSNAIHGDKKAZMU-LJQANCHMSA-N 1 0 421.570 3.594 40 0 HHABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](CC3CCOCC3)CC2)Oc2ccccc21 ZINC000096053349 559093145 /nfs/dbraw/zinc/09/31/45/559093145.db2.gz UTEMLFVULUGSSS-HXUWFJFHSA-N 1 0 400.563 3.729 40 0 HHABRO COCCNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)Oc2ccccc21 ZINC000096053371 559093304 /nfs/dbraw/zinc/09/33/04/559093304.db2.gz FEGNXMJLOBZKGX-IBGZPJMESA-N 1 0 412.530 3.642 40 0 HHABRO C[N@@H+]1CCCN(C(=O)c2ccc3onc(-c4coc(-c5cccs5)n4)c3c2)CC1 ZINC000096154377 559098922 /nfs/dbraw/zinc/09/89/22/559098922.db2.gz BRIZJRCVUIHJTP-UHFFFAOYSA-N 1 0 408.483 3.989 40 0 HHABRO C[NH+](C)C1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4ccccc4)cn32)CC1 ZINC000096155232 559099506 /nfs/dbraw/zinc/09/95/06/559099506.db2.gz CPXOAWYLFGFKDN-UHFFFAOYSA-N 1 0 413.525 3.958 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 ZINC000096215641 559101835 /nfs/dbraw/zinc/10/18/35/559101835.db2.gz IAEUGHRBBNBHNL-XMMPIXPASA-N 1 0 408.498 3.552 40 0 HHABRO CC(C)[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cccc(F)c1)Cc1ccccc12 ZINC000096242414 559103979 /nfs/dbraw/zinc/10/39/79/559103979.db2.gz JUKGSJQXBHFXNT-UHFFFAOYSA-N 1 0 402.535 3.772 40 0 HHABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274150 559118462 /nfs/dbraw/zinc/11/84/62/559118462.db2.gz SPJVIOVOVCZZKJ-XMMPIXPASA-N 1 0 414.521 3.700 40 0 HHABRO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCCCC3)cc2c1 ZINC000000782703 559279303 /nfs/dbraw/zinc/27/93/03/559279303.db2.gz IHTNMLSZBWUQFW-FQEVSTJZSA-N 1 0 424.549 3.634 40 0 HHABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCN(c4ccccn4)CC3)C=C2C)o1 ZINC000035442633 560079798 /nfs/dbraw/zinc/07/97/98/560079798.db2.gz ZXLPVAUSODRGBJ-FKBYEOEOSA-N 1 0 409.578 3.992 40 0 biogenic,in-vitro HHABRO COc1ccccc1-c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3COC(=O)NC(C)C)nc(C)n1 ZINC000008622891 560209740 /nfs/dbraw/zinc/20/97/40/560209740.db2.gz DZNQHEDLILTUNZ-NSHGMRRFSA-N 1 0 424.545 3.773 40 0 biogenic,in-vitro HHABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccccc3)cc2c1 ZINC000000880585 560539659 /nfs/dbraw/zinc/53/96/59/560539659.db2.gz DUQDRXHZZRYBQT-UHFFFAOYSA-N 1 0 408.571 3.851 40 0 HHABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3cccc(C)c3)cc2c1 ZINC000000884950 560540302 /nfs/dbraw/zinc/54/03/02/560540302.db2.gz LYUZIZPSUZTCRQ-UHFFFAOYSA-N 1 0 424.570 3.606 40 0 HHABRO Cc1cccc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCCC3)c(=O)[nH]c12 ZINC000004131829 560599795 /nfs/dbraw/zinc/59/97/95/560599795.db2.gz PQYXKGMFCFGMDY-UHFFFAOYSA-N 1 0 414.619 3.797 40 0 HHABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000004133673 560600752 /nfs/dbraw/zinc/60/07/52/560600752.db2.gz KYCYTRKGWWOCCO-UHFFFAOYSA-N 1 0 416.635 3.909 40 0 HHABRO COc1ccc(NC(=O)COc2ccc(/C=C/c3cccc[n+]3C)cc2OC)cc1 ZINC000005002333 560620448 /nfs/dbraw/zinc/62/04/48/560620448.db2.gz HBTNMGWEDDXWEG-YRNVUSSQSA-O 1 0 405.474 3.716 40 0 HHABRO Cc1cccc2cc(CN(CC[NH+]3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c12 ZINC000008586274 560636777 /nfs/dbraw/zinc/63/67/77/560636777.db2.gz AFVNZFNIJYFCSZ-UHFFFAOYSA-N 1 0 410.562 3.777 40 0 HHABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 ZINC000409054831 560671394 /nfs/dbraw/zinc/67/13/94/560671394.db2.gz OBKFGRAEEXJZCK-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000006288026 560740990 /nfs/dbraw/zinc/74/09/90/560740990.db2.gz ZTWBLFOGRSQFAA-UHFFFAOYSA-N 1 0 404.539 3.718 40 0 HHABRO Cc1c(C)n(C[C@@H](O)C[N@@H+](C)Cc2cccc(CN3CCOCC3)c2)c2ccccc12 ZINC000585273162 560741524 /nfs/dbraw/zinc/74/15/24/560741524.db2.gz POJJKSMWKOQYDB-DEOSSOPVSA-N 1 0 421.585 3.583 40 0 HHABRO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1cccs1 ZINC000008470581 560755264 /nfs/dbraw/zinc/75/52/64/560755264.db2.gz QWWHPXNEHCLQDF-UHFFFAOYSA-N 1 0 410.967 3.801 40 0 HHABRO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1Cl ZINC000013639819 560826358 /nfs/dbraw/zinc/82/63/58/560826358.db2.gz OYTFQMBTURQVNB-UHFFFAOYSA-N 1 0 408.933 3.645 40 0 HHABRO COc1ccc(-c2noc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)n2)cc1 ZINC000219240424 568488294 /nfs/dbraw/zinc/48/82/94/568488294.db2.gz HPJUKXNDOJSRQH-QGZVFWFLSA-N 1 0 420.513 3.907 40 0 HHABRO COc1ccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)n2)cc1 ZINC000219235819 568488319 /nfs/dbraw/zinc/48/83/19/568488319.db2.gz IKTGZTFSGSTEEO-UHFFFAOYSA-N 1 0 420.513 3.907 40 0 HHABRO CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222601842 568520103 /nfs/dbraw/zinc/52/01/03/568520103.db2.gz MMZQFHGLVZKTHS-INIZCTEOSA-N 1 0 414.506 3.808 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000223237953 568542184 /nfs/dbraw/zinc/54/21/84/568542184.db2.gz MOHFRMLVHMXSQK-VXKWHMMOSA-N 1 0 421.570 3.502 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000223278515 568543809 /nfs/dbraw/zinc/54/38/09/568543809.db2.gz FGMUWQWXXPBINH-SFTDATJTSA-N 1 0 409.534 3.546 40 0 HHABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccncc1 ZINC000223487340 568550274 /nfs/dbraw/zinc/55/02/74/568550274.db2.gz NAKSDBNTCUZNMP-FCHUYYIVSA-N 1 0 412.522 3.835 40 0 HHABRO COc1ccc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc2c1 ZINC000224518822 568583507 /nfs/dbraw/zinc/58/35/07/568583507.db2.gz LMBPLQAVECGTJN-UHFFFAOYSA-N 1 0 410.539 3.923 40 0 HHABRO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224536589 568584011 /nfs/dbraw/zinc/58/40/11/568584011.db2.gz UCKGPWRNEHJIJZ-UHFFFAOYSA-N 1 0 402.922 3.756 40 0 HHABRO COc1cc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224701816 568592808 /nfs/dbraw/zinc/59/28/08/568592808.db2.gz PDXLRBYYKQPCMA-UHFFFAOYSA-N 1 0 402.560 3.776 40 0 HHABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000225737911 568669789 /nfs/dbraw/zinc/66/97/89/568669789.db2.gz RXGKDIPSRIUYRP-SFHVURJKSA-N 1 0 402.608 3.721 40 0 HHABRO COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)C[NH+]4CCCCCC4)C3)o2)cc1 ZINC000257207276 568778268 /nfs/dbraw/zinc/77/82/68/568778268.db2.gz BHBOUHHDCUNBBM-HXUWFJFHSA-N 1 0 411.546 3.856 40 0 HHABRO 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 568780570 /nfs/dbraw/zinc/78/05/70/568780570.db2.gz COYFSWJNAPSQHT-KKWLSJBDSA-N 1 0 424.545 3.571 40 0 HHABRO CC[N@@H+]1CCC[C@H](NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257245152 568788960 /nfs/dbraw/zinc/78/89/60/568788960.db2.gz IOGGSOFKKZCKJO-QHCPKHFHSA-N 1 0 407.558 3.688 40 0 HHABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257263037 568793731 /nfs/dbraw/zinc/79/37/31/568793731.db2.gz LOCQUBKQVGPAQT-QFIPXVFZSA-N 1 0 409.578 3.981 40 0 HHABRO c1cnc2cccc(C[C@@H]3COCC[N@H+](Cc4ccnc(N5CCCCC5)n4)C3)c2c1 ZINC000257284021 568799535 /nfs/dbraw/zinc/79/95/35/568799535.db2.gz PAXYGWULZFEWDU-FQEVSTJZSA-N 1 0 417.557 3.706 40 0 HHABRO O=C1O[C@@]2(CC[N@H+](Cc3cccc(Oc4ncccn4)c3)C2)CN1Cc1ccccc1 ZINC000257322371 568811164 /nfs/dbraw/zinc/81/11/64/568811164.db2.gz WFSGUIWWSPHDRT-XMMPIXPASA-N 1 0 416.481 3.866 40 0 HHABRO CC(C)Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n(C)n1 ZINC000257335572 568814784 /nfs/dbraw/zinc/81/47/84/568814784.db2.gz YKUGKEDPEQXQOH-RNEGGKCOSA-N 1 0 420.601 3.975 40 0 HHABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cn(C)cn4)CC3)CO[C@H]21 ZINC000257339336 568815772 /nfs/dbraw/zinc/81/57/72/568815772.db2.gz ZBHBJIXUNQXJGA-PZJWPPBQSA-N 1 0 411.546 3.960 40 0 HHABRO CN(C)C(=O)c1sc2nc([C@@]3(C)CCC[N@H+](Cc4ccccn4)C3)ccc2c1N ZINC000257341615 568816549 /nfs/dbraw/zinc/81/65/49/568816549.db2.gz ZLBQIRTZCRAIGG-QFIPXVFZSA-N 1 0 409.559 3.529 40 0 HHABRO C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@H](Cc3cccnc3)C2)CC1 ZINC000257343019 568817052 /nfs/dbraw/zinc/81/70/52/568817052.db2.gz ZRBWPVUONSXYIR-JOCHJYFZSA-N 1 0 409.549 3.957 40 0 HHABRO Cc1nc(CN2CC[C@@]3(C[N@H+](C4CCC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306123805 568886819 /nfs/dbraw/zinc/88/68/19/568886819.db2.gz AXHTXKOQMZEGPT-UGKGYDQZSA-N 1 0 413.591 3.600 40 0 HHABRO COc1ncccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306124399 568887519 /nfs/dbraw/zinc/88/75/19/568887519.db2.gz BOOGIPSOMOCOHP-LJQANCHMSA-N 1 0 400.486 3.575 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccc(C)c4)C[C@@H]32)cc1 ZINC000306135520 568897580 /nfs/dbraw/zinc/89/75/80/568897580.db2.gz OTWKLBWLBVLVFO-RPWUZVMVSA-N 1 0 401.510 3.887 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@H]32)cc1 ZINC000306142640 568904237 /nfs/dbraw/zinc/90/42/37/568904237.db2.gz XFKHANSNBGKSCT-DHIUTWEWSA-N 1 0 405.473 3.717 40 0 HHABRO Cc1ccc(C(F)(F)F)cc1Nc1cc(C(F)(F)F)nc(NCCC[NH+](C)C)n1 ZINC000328980877 568971013 /nfs/dbraw/zinc/97/10/13/568971013.db2.gz GQWUCORYQCDCCI-UHFFFAOYSA-N 1 0 421.389 3.774 40 0 HHABRO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NCCCO)[nH+]1 ZINC000329065646 568975295 /nfs/dbraw/zinc/97/52/95/568975295.db2.gz XTDUJSUXCKKDIS-UHFFFAOYSA-N 1 0 410.440 3.856 40 0 HHABRO COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CC[NH+](C)CC2)cc1Cl ZINC000226262230 569278679 /nfs/dbraw/zinc/27/86/79/569278679.db2.gz JAAWFRDHUAYDHF-UHFFFAOYSA-N 1 0 409.317 3.588 40 0 HHABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248265744 569316787 /nfs/dbraw/zinc/31/67/87/569316787.db2.gz DUFAETVUVTZTPF-HXOBKFHXSA-N 1 0 416.493 3.705 40 0 HHABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019570235 569345828 /nfs/dbraw/zinc/34/58/28/569345828.db2.gz AUUQDGNDGZBZLJ-GBXCKJPGSA-N 1 0 416.525 3.869 40 0 HHABRO Cc1ccc(-c2nnn(CC(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)n2)cc1 ZINC000141560770 569354726 /nfs/dbraw/zinc/35/47/26/569354726.db2.gz SFGHVQCZESJDKI-SFHVURJKSA-N 1 0 404.518 3.662 40 0 HHABRO CNc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759997 569429629 /nfs/dbraw/zinc/42/96/29/569429629.db2.gz WNZXGIFUHYIGHD-OAQYLSRUSA-N 1 0 401.514 3.882 40 0 HHABRO Cc1cc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)ccc1Br ZINC000329068326 571307628 /nfs/dbraw/zinc/30/76/28/571307628.db2.gz YPPDCVUWFIYYGN-UHFFFAOYSA-N 1 0 418.261 4.283 40 0 HHABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2cn(C)c4ccccc24)C3)cc1 ZINC000096269386 291254278 /nfs/dbraw/zinc/25/42/78/291254278.db2.gz JHEDLKWAGMKVAJ-FQEVSTJZSA-N 1 0 402.498 3.739 40 0 biogenic,in-vitro HHABRO COc1cc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000044917559 522409276 /nfs/dbraw/zinc/40/92/76/522409276.db2.gz FFFCKDJOSYKZKT-UHFFFAOYSA-N 1 0 412.530 3.549 40 0 HHABRO COC(=O)CCCC[NH2+][C@@H]1c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000044136637 523005707 /nfs/dbraw/zinc/00/57/07/523005707.db2.gz LMFWHCAIQATTKM-HXUWFJFHSA-N 1 0 422.934 3.501 40 0 in-vitro HHABRO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000225881687 524900760 /nfs/dbraw/zinc/90/07/60/524900760.db2.gz VVTLSIYCDAHCAY-INIZCTEOSA-N 1 0 400.494 3.932 40 0 HHABRO COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908573 524970820 /nfs/dbraw/zinc/97/08/20/524970820.db2.gz VOONAAFNEOAFQK-PKOBYXMFSA-N 1 0 400.494 3.630 40 0 HHABRO COc1ncc([C@@]2(O)CCC[C@H]3C[N@H+](Cc4ccc(C(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000072343002 525027069 /nfs/dbraw/zinc/02/70/69/525027069.db2.gz NDYQBMVSSLLTOF-LEEZEASISA-N 1 0 411.546 3.737 40 0 HHABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857161 525210692 /nfs/dbraw/zinc/21/06/92/525210692.db2.gz NOKMTHYXTAUQJJ-SFHVURJKSA-N 1 0 414.571 3.957 40 0 HHABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408567427 557465633 /nfs/dbraw/zinc/46/56/33/557465633.db2.gz DSWHYDJAXKWQKX-UHFFFAOYSA-N 1 0 422.312 3.784 40 0 HHABRO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@@H+]2C2CCOCC2)nc1C ZINC000019753425 558272707 /nfs/dbraw/zinc/27/27/07/558272707.db2.gz YPYQGRYKXNIROT-HXUWFJFHSA-N 1 0 410.518 3.752 40 0 HHABRO C[NH+]1CCC(O)(Cn2cc(C(=O)c3ccc(F)cc3)c3ccnc(Cl)c32)CC1 ZINC000012233921 558358460 /nfs/dbraw/zinc/35/84/60/558358460.db2.gz CJDBZKZYSGUSDT-UHFFFAOYSA-N 1 0 401.869 3.517 40 0 HHABRO CC(=O)Nc1nc(C(=O)Nc2ccc(CC[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)cs1 ZINC000012241250 558360425 /nfs/dbraw/zinc/36/04/25/558360425.db2.gz ZTFICEHYFQIFFE-PBHICJAKSA-N 1 0 400.548 3.874 40 0 HHABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293688 558366991 /nfs/dbraw/zinc/36/69/91/558366991.db2.gz UWPPSFUFJORMIT-LEWJYISDSA-N 1 0 401.478 3.609 40 0 HHABRO COc1cccc(C[NH+]2CCC(c3nc(-c4ccncc4)cc(=O)[nH]3)CC2)c1OC ZINC000012330000 558384836 /nfs/dbraw/zinc/38/48/36/558384836.db2.gz RBENKWLQCRLWLY-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO COc1nc(-c2ccccc2)nc(C)c1CC(=O)N1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000012360867 558386919 /nfs/dbraw/zinc/38/69/19/558386919.db2.gz RAXGUZOXOLGOEF-OAQYLSRUSA-N 1 0 422.573 3.870 40 0 HHABRO CC(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](CCC(=O)c3ccccc3)CC2)C1 ZINC000012366022 558388188 /nfs/dbraw/zinc/38/81/88/558388188.db2.gz GAXPLFXYLKUGRH-RUZDIDTESA-N 1 0 406.526 3.925 40 0 HHABRO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000012365815 558388223 /nfs/dbraw/zinc/38/82/23/558388223.db2.gz HGXGWBLBQOCZFZ-OXQOHEQNSA-N 1 0 403.548 3.640 40 0 HHABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(C(C)C)cc1 ZINC000020636823 558396128 /nfs/dbraw/zinc/39/61/28/558396128.db2.gz QEBLNBFSYKRZKY-FCHUYYIVSA-N 1 0 419.525 3.575 40 0 HHABRO CNS(=O)(=O)CCc1ccc2c(c1)c(C1=CC[N@H+](C)CC1)cn2Cc1ccccc1 ZINC000022063354 558460751 /nfs/dbraw/zinc/46/07/51/558460751.db2.gz UILVSZGMQVBENV-UHFFFAOYSA-N 1 0 423.582 3.500 40 0 in-vitro HHABRO COCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039747851 558686928 /nfs/dbraw/zinc/68/69/28/558686928.db2.gz OMYQVIRUGCIMOS-UHFFFAOYSA-N 1 0 423.557 3.612 40 0 HHABRO CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)[NH+](C)C)cc1 ZINC000028296086 558698962 /nfs/dbraw/zinc/69/89/62/558698962.db2.gz IQNSBYXVOKMFSE-NRFANRHFSA-N 1 0 409.486 3.782 40 0 HHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)C1 ZINC000030939910 558745377 /nfs/dbraw/zinc/74/53/77/558745377.db2.gz XATOCQYBIIDHRV-LJQANCHMSA-N 1 0 421.541 3.643 40 0 HHABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cc4c(cc3Cl)OCO4)CC[C@@H]21 ZINC000019019494 558837564 /nfs/dbraw/zinc/83/75/64/558837564.db2.gz CMFMTJJKANRVDA-LNLFQRSKSA-N 1 0 418.946 3.967 40 0 HHABRO Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)CC2)cc1 ZINC000019136833 558846474 /nfs/dbraw/zinc/84/64/74/558846474.db2.gz LBRZGJNJSYYWOG-OAQYLSRUSA-N 1 0 420.557 3.652 40 0 HHABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3c[nH]c4ccc(C)cc43)CC1)O2 ZINC000019220546 558851657 /nfs/dbraw/zinc/85/16/57/558851657.db2.gz CKAVJTDNQINBCN-DHIUTWEWSA-N 1 0 422.525 3.869 40 0 HHABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019293823 558865493 /nfs/dbraw/zinc/86/54/93/558865493.db2.gz LATCKGNTWNOJBC-GOSISDBHSA-N 1 0 406.509 3.986 40 0 HHABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000019370429 558878552 /nfs/dbraw/zinc/87/85/52/558878552.db2.gz VHUKIOAFRUQMCY-VWLOTQADSA-N 1 0 400.526 3.789 40 0 HHABRO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019449524 558888059 /nfs/dbraw/zinc/88/80/59/558888059.db2.gz JCYYYGUPUMKCFS-SANMLTNESA-N 1 0 419.569 3.855 40 0 HHABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccnc(N3CCCC3)n2)CC(C)(C)[NH2+]1 ZINC000019461051 558893561 /nfs/dbraw/zinc/89/35/61/558893561.db2.gz SWGLUCAAAKYEPV-UHFFFAOYSA-N 1 0 408.594 3.783 40 0 HHABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C(C)(C)C)[nH]c(=O)c3C2)CC1 ZINC000019495972 558894865 /nfs/dbraw/zinc/89/48/65/558894865.db2.gz UKFAYRZDONEYQG-LADRWXRNSA-N 1 0 400.567 3.829 40 0 HHABRO CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019499820 558897822 /nfs/dbraw/zinc/89/78/22/558897822.db2.gz ADSQQGFMIKJEGU-HZPDHXFCSA-N 1 0 414.575 3.554 40 0 HHABRO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)nn1 ZINC000019500438 558898549 /nfs/dbraw/zinc/89/85/49/558898549.db2.gz LHMDXSKXVRWCRH-RBBKRZOGSA-N 1 0 413.541 3.897 40 0 HHABRO CCN1CC[N@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527758 558908974 /nfs/dbraw/zinc/90/89/74/558908974.db2.gz VTDZKDIGXHNOBD-HSZRJFAPSA-N 1 0 414.553 3.975 40 0 HHABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019529159 558910790 /nfs/dbraw/zinc/91/07/90/558910790.db2.gz QNODKOVCNMFZSC-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1OC ZINC000019533781 558913352 /nfs/dbraw/zinc/91/33/52/558913352.db2.gz LPOKZOMLXCDXNE-YESZJQIVSA-N 1 0 421.492 3.588 40 0 HHABRO COc1cc2c(cc1C[N@@H+]1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)CCCC2 ZINC000019550618 558915114 /nfs/dbraw/zinc/91/51/14/558915114.db2.gz YZJFNRUOIHUPKJ-BKMJKUGQSA-N 1 0 419.569 3.997 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4scnc4C)o3)C2)c1OC ZINC000019562813 558923347 /nfs/dbraw/zinc/92/33/47/558923347.db2.gz PXUMYRVWZNWLLZ-OAHLLOKOSA-N 1 0 400.504 3.898 40 0 HHABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(N3CCCCC3)n2)C1 ZINC000019577459 558933066 /nfs/dbraw/zinc/93/30/66/558933066.db2.gz VSAROLQMFRJJSR-IBGZPJMESA-N 1 0 412.582 3.534 40 0 HHABRO CC[C@H](C)C[N@@H+]1CCC[C@H](C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)C1 ZINC000072334316 558935413 /nfs/dbraw/zinc/93/54/13/558935413.db2.gz ASAWMYHRLAUDGZ-FPOVZHCZSA-N 1 0 400.563 3.715 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019591332 558941712 /nfs/dbraw/zinc/94/17/12/558941712.db2.gz AYXOPBYWRLFALI-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCOCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345451 558941917 /nfs/dbraw/zinc/94/19/17/558941917.db2.gz XNYZRYLYWVPHDA-NRFANRHFSA-N 1 0 412.509 3.560 40 0 HHABRO CNc1cc([C@H]2CCC[N@H+](Cc3ccc(OC)c(OC)c3)C2)nc(-c2cccnc2)n1 ZINC000019592202 558943074 /nfs/dbraw/zinc/94/30/74/558943074.db2.gz VAQDGDJHDVXZJT-IBGZPJMESA-N 1 0 419.529 3.977 40 0 HHABRO CNc1cc([C@H]2CCC[N@H+](Cc3cccc(OC)c3OC)C2)nc(-c2ccncc2)n1 ZINC000019592279 558943360 /nfs/dbraw/zinc/94/33/60/558943360.db2.gz BYLBGHDOOKRQDY-SFHVURJKSA-N 1 0 419.529 3.977 40 0 HHABRO COCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019593718 558944914 /nfs/dbraw/zinc/94/49/14/558944914.db2.gz BSHRAHJMSWBMBK-JOCHJYFZSA-N 1 0 420.513 3.584 40 0 HHABRO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)n1 ZINC000072350212 558947099 /nfs/dbraw/zinc/94/70/99/558947099.db2.gz QZZWCVBOSPBGRM-OAQYLSRUSA-N 1 0 407.558 3.871 40 0 HHABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353456 558950458 /nfs/dbraw/zinc/95/04/58/558950458.db2.gz AQAWUDXJPGXXRS-HXUWFJFHSA-N 1 0 418.545 3.887 40 0 HHABRO CC1CCN(c2ncc(C[NH+]3CCC([C@@]4(C)CCCCN(C)C4=O)CC3)cn2)CC1 ZINC000072371976 558959307 /nfs/dbraw/zinc/95/93/07/558959307.db2.gz VVNPPMYPIGFOEN-XMMPIXPASA-N 1 0 413.610 3.574 40 0 HHABRO CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693968 558961915 /nfs/dbraw/zinc/96/19/15/558961915.db2.gz UITGYNCVZCZTBH-SFHVURJKSA-N 1 0 410.953 3.976 40 0 HHABRO Cc1nn(C)c2nc([C@H]3CCCN(C(=O)CC4=CC(C)(C)[NH2+]C(C)(C)C4)C3)ccc12 ZINC000072374486 558962226 /nfs/dbraw/zinc/96/22/26/558962226.db2.gz UOEGHUAKIDQZQD-SFHVURJKSA-N 1 0 409.578 3.850 40 0 HHABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)c1 ZINC000019694071 558962296 /nfs/dbraw/zinc/96/22/96/558962296.db2.gz JNWLQMJVNICBNB-LJQANCHMSA-N 1 0 420.561 3.640 40 0 HHABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)c1 ZINC000019694072 558962347 /nfs/dbraw/zinc/96/23/47/558962347.db2.gz JNWLQMJVNICBNB-IBGZPJMESA-N 1 0 420.561 3.640 40 0 HHABRO CNC(=O)c1[nH]c(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)nc1-c1ccc(OC)cc1 ZINC000019696991 558964703 /nfs/dbraw/zinc/96/47/03/558964703.db2.gz AWGKCVYRYRCTRC-QGZVFWFLSA-N 1 0 408.546 3.981 40 0 HHABRO COc1cccc(CN2CC=CC[C@H](C3CC[NH+](Cc4ccccn4)CC3)C2=O)c1 ZINC000019703738 558967790 /nfs/dbraw/zinc/96/77/90/558967790.db2.gz ZDYYLFUOFLEXGP-XMMPIXPASA-N 1 0 405.542 3.907 40 0 HHABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2 ZINC000019707419 558969579 /nfs/dbraw/zinc/96/95/79/558969579.db2.gz HNQCSZHWFPEVQP-NRFANRHFSA-N 1 0 407.562 3.823 40 0 HHABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398633 558976351 /nfs/dbraw/zinc/97/63/51/558976351.db2.gz AUUQDGNDGZBZLJ-YKSBVNFPSA-N 1 0 416.525 3.869 40 0 HHABRO CN(C)c1ncc(C(=O)N2CCC[C@]3(CCC[N@@H+]3Cc3cccc(F)c3)CC2)o1 ZINC000585100429 559024005 /nfs/dbraw/zinc/02/40/05/559024005.db2.gz WNCCVTUTONXRQJ-QFIPXVFZSA-N 1 0 400.498 3.541 40 0 HHABRO CN(C)c1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3C[C@H]3CCCO3)C2)c2ccccc21 ZINC000585101947 559025001 /nfs/dbraw/zinc/02/50/01/559025001.db2.gz NBHQEGVWMSRCNP-KBMIEXCESA-N 1 0 407.558 3.765 40 0 HHABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](Cc2nc4ccccn4c2C)CC3)cs1 ZINC000585100844 559025478 /nfs/dbraw/zinc/02/54/78/559025478.db2.gz YPCFGTYINNPFGQ-HSZRJFAPSA-N 1 0 423.586 3.955 40 0 HHABRO O=C(CC1CCOCC1)NC1CC2(C1)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000585103207 559026507 /nfs/dbraw/zinc/02/65/07/559026507.db2.gz NGONEZYJYYNWCY-UHFFFAOYSA-N 1 0 422.573 3.550 40 0 HHABRO O=C(Cc1ccccn1)N1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc12 ZINC000585105738 559026789 /nfs/dbraw/zinc/02/67/89/559026789.db2.gz QGNSIPDRWGXJGC-UHFFFAOYSA-N 1 0 412.537 3.595 40 0 HHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053226 559093113 /nfs/dbraw/zinc/09/31/13/559093113.db2.gz SGVQHKUZLBZCCD-NRFANRHFSA-N 1 0 405.542 3.995 40 0 HHABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](CC3CCOCC3)CC2)Oc2ccccc21 ZINC000096053546 559093705 /nfs/dbraw/zinc/09/37/05/559093705.db2.gz ZOXJZXZCDFURNB-OAQYLSRUSA-N 1 0 414.590 3.976 40 0 HHABRO COc1ccc(N(C)c2ccc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn32)cc1 ZINC000096146215 559097772 /nfs/dbraw/zinc/09/77/72/559097772.db2.gz OGMDPZXUTCTPMM-UHFFFAOYSA-N 1 0 406.530 3.882 40 0 HHABRO C[N@@H+]1CCCN(C(=O)c2nc(-c3cn(CC4CCCCC4)cn3)n3ccccc23)CC1 ZINC000096155136 559099322 /nfs/dbraw/zinc/09/93/22/559099322.db2.gz HPWYNMGJFXFOPN-UHFFFAOYSA-N 1 0 420.561 3.556 40 0 HHABRO O=C1CO[C@@]2(CN1CCc1ccccc1)CCC[N@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000585261813 559109534 /nfs/dbraw/zinc/10/95/34/559109534.db2.gz PRNUHGOBHXHCBV-SANMLTNESA-N 1 0 417.553 3.994 40 0 HHABRO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2CC1(O)CCN(c2ccccc2C)CC1 ZINC000585262818 559111466 /nfs/dbraw/zinc/11/14/66/559111466.db2.gz IRJLUZLOJHMXEA-ZEQRLZLVSA-N 1 0 413.606 3.582 40 0 HHABRO CCCC[C@H]([NH3+])C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263319 559111950 /nfs/dbraw/zinc/11/19/50/559111950.db2.gz BXFSCVHZGHJOHT-INIZCTEOSA-N 1 0 402.568 3.517 40 0 HHABRO COC1(COc2ccc(C)cc2C)CC[NH+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585272835 559117096 /nfs/dbraw/zinc/11/70/96/559117096.db2.gz JVHPNFWSOQSQGB-UHFFFAOYSA-N 1 0 414.521 3.619 40 0 HHABRO CCOCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(F)cc3)CC2)cc1 ZINC000585273139 559117249 /nfs/dbraw/zinc/11/72/49/559117249.db2.gz PKJLAXOXLBWTGU-UHFFFAOYSA-N 1 0 403.494 3.647 40 0 HHABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 ZINC000585274535 559118668 /nfs/dbraw/zinc/11/86/68/559118668.db2.gz WECMHZVHCKXGFM-SANMLTNESA-N 1 0 424.585 3.728 40 0 HHABRO CC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282367 559120022 /nfs/dbraw/zinc/12/00/22/559120022.db2.gz IJMLLWQHDZRLPH-DEOSSOPVSA-N 1 0 402.579 3.546 40 0 HHABRO Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)c2)n1 ZINC000585292627 559125345 /nfs/dbraw/zinc/12/53/45/559125345.db2.gz PTVHRLGTINGWMQ-YXBWYFRISA-N 1 0 416.529 3.990 40 0 HHABRO Cc1nc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)sc1C ZINC000585293123 559125645 /nfs/dbraw/zinc/12/56/45/559125645.db2.gz XHPASCYGGVMFNG-XSFOEPMVSA-N 1 0 414.579 3.773 40 0 HHABRO COC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000098063901 559126405 /nfs/dbraw/zinc/12/64/05/559126405.db2.gz WIYNFUFUYYASSK-YVNJGZBMSA-N 1 0 409.530 3.900 40 0 HHABRO CC(=O)N1CCN(Cc2ccccc2OCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000257343124 559283502 /nfs/dbraw/zinc/28/35/02/559283502.db2.gz ZRODUBRVNYUCSK-DEOSSOPVSA-N 1 0 407.558 3.567 40 0 HHABRO Cc1ccc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)c(=O)[nH]c2c1C ZINC000004132426 560599967 /nfs/dbraw/zinc/59/99/67/560599967.db2.gz WWEWEXLSIIPMIO-UHFFFAOYSA-N 1 0 414.619 3.716 40 0 HHABRO Cc1cccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c12 ZINC000004231184 560602896 /nfs/dbraw/zinc/60/28/96/560602896.db2.gz JJHNODFUJTZVPN-UHFFFAOYSA-N 1 0 410.493 3.961 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409059371 560670844 /nfs/dbraw/zinc/67/08/44/560670844.db2.gz MRARDBMAVPPAHB-HTZJYPRQSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@H]2c2ccccc2)cc1 ZINC000409055159 560671433 /nfs/dbraw/zinc/67/14/33/560671433.db2.gz KDPCTNNYQDGMRC-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000052912428 560706886 /nfs/dbraw/zinc/70/68/86/560706886.db2.gz LPSHIHOPMLKCCF-UHFFFAOYSA-N 1 0 405.848 3.723 40 0 HHABRO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1C(F)(F)F ZINC000008215696 560753298 /nfs/dbraw/zinc/75/32/98/560753298.db2.gz DDDGXXJWYHOEHQ-KRWDZBQOSA-N 1 0 401.388 3.651 40 0 HHABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3F)cc2c1 ZINC000004231269 560893987 /nfs/dbraw/zinc/89/39/87/560893987.db2.gz XLECOTMOAVDNPK-UHFFFAOYSA-N 1 0 410.493 3.825 40 0 HHABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cccc3ccccc32)c1 ZINC000021595652 568467641 /nfs/dbraw/zinc/46/76/41/568467641.db2.gz ULKBSSHLZIFTMA-UHFFFAOYSA-N 1 0 403.482 3.631 40 0 HHABRO Cc1ccc(C)c(N2CCN([C@H](CC(C)C)c3nnnn3Cc3ccco3)CC2)c1 ZINC000057671256 568495134 /nfs/dbraw/zinc/49/51/34/568495134.db2.gz VCTUBUXBRCLRLZ-JOCHJYFZSA-N 1 0 408.550 3.841 40 0 HHABRO Cc1ccc(-c2noc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222599699 568519955 /nfs/dbraw/zinc/51/99/55/568519955.db2.gz UODCIHPZTAGIRD-IBGZPJMESA-N 1 0 408.477 3.713 40 0 HHABRO CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222601772 568520140 /nfs/dbraw/zinc/52/01/40/568520140.db2.gz MMZQFHGLVZKTHS-MRXNPFEDSA-N 1 0 414.506 3.808 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000223236540 568542097 /nfs/dbraw/zinc/54/20/97/568542097.db2.gz GAWJFERPRXOBGG-FCHUYYIVSA-N 1 0 423.561 3.936 40 0 HHABRO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223277402 568543752 /nfs/dbraw/zinc/54/37/52/568543752.db2.gz XGZVYPFWXQSRDY-FCHUYYIVSA-N 1 0 405.571 3.715 40 0 HHABRO Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223277222 568543787 /nfs/dbraw/zinc/54/37/87/568543787.db2.gz ZSXXYERVFWUJHH-VXKWHMMOSA-N 1 0 405.571 3.715 40 0 HHABRO COC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440188 568637988 /nfs/dbraw/zinc/63/79/88/568637988.db2.gz XQVOMFDUSHEYSL-UHFFFAOYSA-N 1 0 401.510 3.967 40 0 HHABRO Cc1cc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)ccc1N1CCCC1=O ZINC000225744055 568670377 /nfs/dbraw/zinc/67/03/77/568670377.db2.gz NRLPTLIFNNIZLD-UHFFFAOYSA-N 1 0 422.598 3.857 40 0 HHABRO CN1CCN(C(=O)C2(Cc3ccc(F)cc3)CC[NH+](C)CC2)C[C@@H]1c1ccccc1 ZINC000257219151 568781563 /nfs/dbraw/zinc/78/15/63/568781563.db2.gz DFUUVBXEAOPRTR-HSZRJFAPSA-N 1 0 409.549 3.596 40 0 HHABRO CN1CCN(C(=O)C2(Cc3ccc(F)cc3)CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC000257219152 568781593 /nfs/dbraw/zinc/78/15/93/568781593.db2.gz DFUUVBXEAOPRTR-QHCPKHFHSA-N 1 0 409.549 3.596 40 0 HHABRO Cc1cc(Nc2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)nn1C ZINC000257299010 568804123 /nfs/dbraw/zinc/80/41/23/568804123.db2.gz ROIUZQWHVWNULN-JOCHJYFZSA-N 1 0 414.513 3.989 40 0 HHABRO C[NH+]1CCC(C(=O)N2CC3(C2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)CC1 ZINC000257325393 568812057 /nfs/dbraw/zinc/81/20/57/568812057.db2.gz WSTJUDQSKNKKEA-AZUAARDMSA-N 1 0 418.965 3.759 40 0 HHABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)n1 ZINC000019760694 568871062 /nfs/dbraw/zinc/87/10/62/568871062.db2.gz ZYRRSTKLCSQQPL-JOCHJYFZSA-N 1 0 415.541 3.906 40 0 HHABRO Cc1ccsc1C[NH+]1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306126946 568889821 /nfs/dbraw/zinc/88/98/21/568889821.db2.gz FJSHUETZNQFHKQ-UHFFFAOYSA-N 1 0 411.550 3.891 40 0 HHABRO COc1cccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)c1 ZINC000306130420 568892883 /nfs/dbraw/zinc/89/28/83/568892883.db2.gz JFWREZRNWNPHOL-UHFFFAOYSA-N 1 0 421.520 3.530 40 0 HHABRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccnc4c(C(=O)N5CCCC5)ncn43)C2)cc1C ZINC000306136106 568898001 /nfs/dbraw/zinc/89/80/01/568898001.db2.gz PJMXFDBVLDAKRF-FQEVSTJZSA-N 1 0 403.530 3.572 40 0 HHABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)s1 ZINC000306135993 568898011 /nfs/dbraw/zinc/89/80/11/568898011.db2.gz PGDWFLSUFKRMDX-OFNKIYASSA-N 1 0 414.571 3.545 40 0 HHABRO COc1ccccc1C[N@@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136586 568898371 /nfs/dbraw/zinc/89/83/71/568898371.db2.gz PXNVXXBFUVDWLA-SQJMNOBHSA-N 1 0 422.573 3.701 40 0 HHABRO COc1ccc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306137259 568899086 /nfs/dbraw/zinc/89/90/86/568899086.db2.gz QQUWORYBDAPESN-XMMPIXPASA-N 1 0 413.525 3.894 40 0 HHABRO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@H+](Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306139767 568901721 /nfs/dbraw/zinc/90/17/21/568901721.db2.gz UABCKKAEWHTUOW-DEOSSOPVSA-N 1 0 403.482 3.736 40 0 HHABRO CCOC[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611049 568939770 /nfs/dbraw/zinc/93/97/70/568939770.db2.gz WQIRXLPCLCLVOB-GBESFXJTSA-N 1 0 414.354 3.915 40 0 HHABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242620185 568968120 /nfs/dbraw/zinc/96/81/20/568968120.db2.gz PXATVBJBYUSZAX-RCCFBDPRSA-N 1 0 400.327 3.525 40 0 HHABRO CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329001635 568971885 /nfs/dbraw/zinc/97/18/85/568971885.db2.gz KFLWKLBHLQWGRP-GOSISDBHSA-N 1 0 424.467 3.929 40 0 HHABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329063463 568975397 /nfs/dbraw/zinc/97/53/97/568975397.db2.gz XEWASYSVNAKFQT-QGZVFWFLSA-N 1 0 405.340 3.539 40 0 HHABRO CC[NH+](CC)CCCN(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575423375 569026436 /nfs/dbraw/zinc/02/64/36/569026436.db2.gz ZZITVRNQCLOVMO-QHCPKHFHSA-N 1 0 414.615 3.997 40 0 HHABRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000005001930 569051853 /nfs/dbraw/zinc/05/18/53/569051853.db2.gz HZQQVIJWHWREGB-UHFFFAOYSA-N 1 0 412.477 3.896 40 0 HHABRO C[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000226259411 569278624 /nfs/dbraw/zinc/27/86/24/569278624.db2.gz RCHBQCHUQUTAQZ-UHFFFAOYSA-N 1 0 423.742 3.689 40 0 HHABRO COc1c(Cl)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(N)c2)cc1Cl ZINC000226263927 569278942 /nfs/dbraw/zinc/27/89/42/569278942.db2.gz KYAWRWIMFNLAKC-UHFFFAOYSA-N 1 0 409.317 3.588 40 0 HHABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248099217 569316158 /nfs/dbraw/zinc/31/61/58/569316158.db2.gz ORMQXLNTCVDJJK-NTKDMRAZSA-N 1 0 412.530 3.874 40 0 HHABRO COc1ncc([C@]2(O)CCC[C@H]3C[N@H+](Cc4ccc(C(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000253608429 569318440 /nfs/dbraw/zinc/31/84/40/569318440.db2.gz NDYQBMVSSLLTOF-XZDHIHRUSA-N 1 0 411.546 3.737 40 0 HHABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702137 569347427 /nfs/dbraw/zinc/34/74/27/569347427.db2.gz AWVAZPUOXFFXHA-FLXZHSAZSA-N 1 0 421.566 3.911 40 0 HHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000019690459 569428364 /nfs/dbraw/zinc/42/83/64/569428364.db2.gz CKLPYLHFSIQRKL-OAQYLSRUSA-N 1 0 401.514 3.646 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2cccnc2)n1 ZINC000329017445 571304417 /nfs/dbraw/zinc/30/44/17/571304417.db2.gz NMDIUXJMEZKINO-UHFFFAOYSA-N 1 0 414.460 4.247 40 0 HHABRO C[NH+](C)CCNc1nc(-c2cccnc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328981810 571304559 /nfs/dbraw/zinc/30/45/59/571304559.db2.gz GWRBWMVRSYFWNN-UHFFFAOYSA-N 1 0 418.332 4.258 40 0 HHABRO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329032881 571306076 /nfs/dbraw/zinc/30/60/76/571306076.db2.gz QQXZSMCUWFQCSQ-QGZVFWFLSA-N 1 0 405.340 4.157 40 0 HHABRO COc1ccc(CC2=C[N@H+](C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020459281 571314675 /nfs/dbraw/zinc/31/46/75/571314675.db2.gz VQUIKZIRRSKCMH-QHCPKHFHSA-N 1 0 415.493 3.838 40 0 HHABRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000035415787 524072342 /nfs/dbraw/zinc/07/23/42/524072342.db2.gz PLRHCOJIOOBKJV-ZVDOUQERSA-N 1 0 406.530 3.656 40 0 biogenic,in-vitro HHABRO COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000009043099 557017504 /nfs/dbraw/zinc/01/75/04/557017504.db2.gz VOQLNPKKMQJCHV-YOSAUDMPSA-N 1 0 407.514 3.732 40 0 HHABRO CC(=O)OC(Cc1ccccc1)(Cc1ccccc1)C(=O)OCC[NH+]1CCCCC1 ZINC000004216054 557529367 /nfs/dbraw/zinc/52/93/67/557529367.db2.gz VTBDTEWGXPOCSP-UHFFFAOYSA-N 1 0 409.526 3.803 40 0 in-man HHABRO CC1CC[NH+](Cc2ccc(-c3nnn(CC(=O)Nc4ccccc4Cl)n3)cc2)CC1 ZINC000004907620 557612105 /nfs/dbraw/zinc/61/21/05/557612105.db2.gz XFFHTBWRCNKXEI-UHFFFAOYSA-N 1 0 424.936 3.864 40 0 HHABRO NC(=O)c1cc([C@@H]2CC[N@H+](Cc3cncn3Cc3ccccc3)C2)nc2ccccc21 ZINC000019761908 558276940 /nfs/dbraw/zinc/27/69/40/558276940.db2.gz CJIOAVPYCLDAOF-LJQANCHMSA-N 1 0 411.509 3.568 40 0 HHABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2nc3ccccc3n2Cc2ccccc2)on1 ZINC000012128434 558331892 /nfs/dbraw/zinc/33/18/92/558331892.db2.gz ARDWOVYMFJCAMS-DENIHFKCSA-N 1 0 402.498 3.728 40 0 HHABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC000012147629 558338409 /nfs/dbraw/zinc/33/84/09/558338409.db2.gz FBQPHYXHHXTJBY-UHFFFAOYSA-N 1 0 406.505 3.947 40 0 HHABRO COc1ccc(NC(=O)COc2ccc(/C=C/C3=CC[N@H+](C)CC3)cc2OC)cc1 ZINC000012154289 558339592 /nfs/dbraw/zinc/33/95/92/558339592.db2.gz URMFKTTTWSQBST-SNAWJCMRSA-N 1 0 408.498 3.996 40 0 HHABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000012182152 558343122 /nfs/dbraw/zinc/34/31/22/558343122.db2.gz VVOUDYGERREZBV-QUCCMNQESA-N 1 0 418.541 3.556 40 0 HHABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000012182198 558343187 /nfs/dbraw/zinc/34/31/87/558343187.db2.gz HAFYLKNECXTJLO-RGCFKVTRSA-N 1 0 418.994 3.879 40 0 HHABRO COc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1cc(C)ccc1O2 ZINC000012293244 558366190 /nfs/dbraw/zinc/36/61/90/558366190.db2.gz XDGAUBKGOQPUIK-XZOQPEGZSA-N 1 0 422.525 3.869 40 0 HHABRO COc1cc(OC)c(OC)cc1C[NH+]1CCC(c2noc(-c3ccncc3)n2)CC1 ZINC000012327618 558383554 /nfs/dbraw/zinc/38/35/54/558383554.db2.gz ZAYIOQPOOBZZBD-UHFFFAOYSA-N 1 0 410.474 3.537 40 0 HHABRO COc1cc(C)c(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1OC ZINC000012344469 558386522 /nfs/dbraw/zinc/38/65/22/558386522.db2.gz LKQRUDCEKOMJBS-UHFFFAOYSA-N 1 0 400.494 3.779 40 0 HHABRO O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013678320 558565376 /nfs/dbraw/zinc/56/53/76/558565376.db2.gz BCTABIUCVVOZOK-UHFFFAOYSA-N 1 0 414.509 3.860 40 0 HHABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000015360747 558735798 /nfs/dbraw/zinc/73/57/98/558735798.db2.gz BUXOKERTRMUTNK-UHFFFAOYSA-N 1 0 423.376 3.914 40 0 HHABRO COCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030940076 558745352 /nfs/dbraw/zinc/74/53/52/558745352.db2.gz PMMGJFFBJYGCGI-UHFFFAOYSA-N 1 0 409.530 3.547 40 0 HHABRO Clc1ccc(C[NH2+][C@H]2CCN(c3ncc(Br)cn3)C2)c(Cl)c1 ZINC000035999346 558796386 /nfs/dbraw/zinc/79/63/86/558796386.db2.gz PXQNLQLMRMROSB-ZDUSSCGKSA-N 1 0 402.123 3.914 40 0 in-vitro HHABRO COc1ccccc1CN(Cc1cnc(N(C)C)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740486 558801728 /nfs/dbraw/zinc/80/17/28/558801728.db2.gz FEOFZSOYMAPSNA-UHFFFAOYSA-N 1 0 411.594 3.863 40 0 HHABRO COc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000038848973 558818510 /nfs/dbraw/zinc/81/85/10/558818510.db2.gz BNMDRQRVHVRAHO-LJQANCHMSA-N 1 0 416.949 3.928 40 0 HHABRO Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)on1 ZINC000019122235 558843559 /nfs/dbraw/zinc/84/35/59/558843559.db2.gz VAWHDFKYAKGKSH-LJQANCHMSA-N 1 0 404.518 3.815 40 0 HHABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125147 558844376 /nfs/dbraw/zinc/84/43/76/558844376.db2.gz UFTZCYGIYZTSLM-NHCUHLMSSA-N 1 0 403.469 3.966 40 0 HHABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4cccc(OC[C@H]5CCCO5)c4)C[C@@H]32)nc1 ZINC000019216136 558850233 /nfs/dbraw/zinc/85/02/33/558850233.db2.gz NYLABVKBHLPRLJ-BQXRJHOYSA-N 1 0 408.542 3.677 40 0 HHABRO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219467 558851339 /nfs/dbraw/zinc/85/13/39/558851339.db2.gz PTTRLEAFMGIMJA-VWLOTQADSA-N 1 0 424.516 3.983 40 0 HHABRO Cc1cccc(OCCC[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019235177 558854362 /nfs/dbraw/zinc/85/43/62/558854362.db2.gz GYUFOJBAJNZGQW-NZSAHSFTSA-N 1 0 405.493 3.758 40 0 HHABRO Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccn3)C2)C1 ZINC000019237333 558856455 /nfs/dbraw/zinc/85/64/55/558856455.db2.gz KVWQKKCKLKMUGY-DHIUTWEWSA-N 1 0 421.585 3.962 40 0 HHABRO Fc1cccc(Nc2nc(-c3ccncc3)nc3c2C[N@H+](C[C@H]2CCOC2)CC3)c1 ZINC000019294022 558865712 /nfs/dbraw/zinc/86/57/12/558865712.db2.gz GEXGWXZQMAYABJ-MRXNPFEDSA-N 1 0 405.477 3.816 40 0 HHABRO NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019348345 558874133 /nfs/dbraw/zinc/87/41/33/558874133.db2.gz XGVUPVARFJGLOY-XMMPIXPASA-N 1 0 404.489 3.593 40 0 HHABRO c1[nH]nc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371262 558879169 /nfs/dbraw/zinc/87/91/69/558879169.db2.gz PTVZJRWWIAZWCX-HXUWFJFHSA-N 1 0 402.546 3.889 40 0 HHABRO CC1CC[NH+](CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019496876 558895681 /nfs/dbraw/zinc/89/56/81/558895681.db2.gz XHRIPASMODNCNF-MSOLQXFVSA-N 1 0 404.967 3.633 40 0 HHABRO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)nn1 ZINC000019500436 558898541 /nfs/dbraw/zinc/89/85/41/558898541.db2.gz LHMDXSKXVRWCRH-IFMALSPDSA-N 1 0 413.541 3.897 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 ZINC000019524905 558906331 /nfs/dbraw/zinc/90/63/31/558906331.db2.gz NIIKLIXVLTWDNR-RUZDIDTESA-N 1 0 417.557 3.536 40 0 HHABRO CCCSc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019525210 558906578 /nfs/dbraw/zinc/90/65/78/558906578.db2.gz WCGFWQJEJMEXRF-QGZVFWFLSA-N 1 0 422.558 3.504 40 0 HHABRO CCOc1ncc(C2(O)CC[NH+](Cc3oc4ccccc4c3C)CC2)c(OCC)n1 ZINC000019531707 558912244 /nfs/dbraw/zinc/91/22/44/558912244.db2.gz HURINNXFWOEJDU-UHFFFAOYSA-N 1 0 411.502 3.812 40 0 HHABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1OC ZINC000019533779 558913218 /nfs/dbraw/zinc/91/32/18/558913218.db2.gz LPOKZOMLXCDXNE-IXDOHACOSA-N 1 0 421.492 3.588 40 0 HHABRO COc1cc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc(OC)c1OC ZINC000019549715 558914426 /nfs/dbraw/zinc/91/44/26/558914426.db2.gz PJVMNEFBHXIKQH-UHFFFAOYSA-N 1 0 410.474 3.537 40 0 HHABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019568944 558928085 /nfs/dbraw/zinc/92/80/85/558928085.db2.gz KMKKTGZJLXUWPQ-CQSZACIVSA-N 1 0 420.439 3.786 40 0 HHABRO Cc1c(Cl)cc(C[N@@H+]2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)c(N)c1C ZINC000019577225 558933107 /nfs/dbraw/zinc/93/31/07/558933107.db2.gz SPWRPGBPVLASAA-APWZRJJASA-N 1 0 408.937 3.812 40 0 HHABRO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000072330389 558934478 /nfs/dbraw/zinc/93/44/78/558934478.db2.gz OHARHGKLGGCDRI-AOUJKTHWSA-N 1 0 423.557 3.511 40 0 HHABRO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000072330772 558935160 /nfs/dbraw/zinc/93/51/60/558935160.db2.gz WRCBTIFPQOLMCF-DVECYGJZSA-N 1 0 411.546 3.505 40 0 HHABRO C[NH+](C)CCCN(Cc1c(-c2ccc(F)cc2)nc2ncccn12)Cc1ccccn1 ZINC000019582196 558937092 /nfs/dbraw/zinc/93/70/92/558937092.db2.gz WSWYACKQQLYEPS-UHFFFAOYSA-N 1 0 418.520 3.884 40 0 HHABRO COc1cc(C[NH+]2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)ccc1O ZINC000072336902 558937340 /nfs/dbraw/zinc/93/73/40/558937340.db2.gz FWTPRZJQLCLJAO-UHFFFAOYSA-N 1 0 409.534 3.703 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584445 558938414 /nfs/dbraw/zinc/93/84/14/558938414.db2.gz UBJRTOBSXXYWCO-HXUWFJFHSA-N 1 0 403.530 3.993 40 0 HHABRO COc1cccc(C[NH+]2CCC(c3cc(N(C)C)nc(-c4ccncc4)n3)CC2)c1 ZINC000019584614 558938709 /nfs/dbraw/zinc/93/87/09/558938709.db2.gz MDOLFZASZBGAIL-UHFFFAOYSA-N 1 0 403.530 3.993 40 0 HHABRO COc1cccc(-c2cccc(C[C@@H]3C[N@H+](Cc4ccncc4)CCN(C)C3=O)c2)c1 ZINC000019589529 558940340 /nfs/dbraw/zinc/94/03/40/558940340.db2.gz VRZJUFUYLDPRTC-XMMPIXPASA-N 1 0 415.537 3.890 40 0 HHABRO COc1cccc(-c2cccc(C[C@@H]3C[N@H+](Cc4ccccn4)CCN(C)C3=O)c2)c1 ZINC000019589525 558940397 /nfs/dbraw/zinc/94/03/97/558940397.db2.gz QPTOLQOGADEFDQ-HSZRJFAPSA-N 1 0 415.537 3.890 40 0 HHABRO CN(C(=O)c1ccnn1C(F)F)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590890 558940949 /nfs/dbraw/zinc/94/09/49/558940949.db2.gz DDFQIFMXNCUHRQ-UHFFFAOYSA-N 1 0 404.461 3.556 40 0 HHABRO CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000072344947 558941298 /nfs/dbraw/zinc/94/12/98/558941298.db2.gz QMEJLAGMOXKCFT-HXUWFJFHSA-N 1 0 411.550 3.944 40 0 HHABRO COCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019593720 558944816 /nfs/dbraw/zinc/94/48/16/558944816.db2.gz BSHRAHJMSWBMBK-QFIPXVFZSA-N 1 0 420.513 3.584 40 0 HHABRO COCCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(OC)c(OC)c3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000019593874 558945080 /nfs/dbraw/zinc/94/50/80/558945080.db2.gz MAMHKNAQFLUGQG-GABIRTJKSA-N 1 0 411.546 3.745 40 0 HHABRO CN(C)C(=O)C[NH+]1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072349536 558946296 /nfs/dbraw/zinc/94/62/96/558946296.db2.gz TYUBFNYTJKNRGL-UHFFFAOYSA-N 1 0 405.464 3.959 40 0 HHABRO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656965 558949632 /nfs/dbraw/zinc/94/96/32/558949632.db2.gz VTMIBDFSEDRLKO-GOSISDBHSA-N 1 0 404.493 3.953 40 0 HHABRO Cc1nccn1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658113 558949941 /nfs/dbraw/zinc/94/99/41/558949941.db2.gz AEKPHHNYPVFFGY-IBGZPJMESA-N 1 0 405.502 3.730 40 0 HHABRO Cc1cc(N)n(-c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)cc2)n1 ZINC000019660706 558951963 /nfs/dbraw/zinc/95/19/63/558951963.db2.gz CKSSGHPVPYDIRQ-QFIPXVFZSA-N 1 0 403.530 3.720 40 0 HHABRO Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1N1CCOCC1 ZINC000019664085 558954662 /nfs/dbraw/zinc/95/46/62/558954662.db2.gz XQZLCKAEKQOQGW-OAQYLSRUSA-N 1 0 401.938 3.518 40 0 HHABRO Cn1nccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371594 558958684 /nfs/dbraw/zinc/95/86/84/558958684.db2.gz VSUFZGGQZAYUMK-OAHLLOKOSA-N 1 0 419.451 3.773 40 0 HHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694077 558962264 /nfs/dbraw/zinc/96/22/64/558962264.db2.gz JIZIBNLRUVLXHX-GOSISDBHSA-N 1 0 408.525 3.770 40 0 HHABRO CC(C)[NH+]1CCC(c2nc([C@@H]3CC(=O)N(Cc4ccccc4)C3)cc(N(C)C)n2)CC1 ZINC000019697435 558965062 /nfs/dbraw/zinc/96/50/62/558965062.db2.gz DEVFJIQQAMQTLX-OAQYLSRUSA-N 1 0 421.589 3.647 40 0 HHABRO Cc1ccc([C@H](CNC(=O)c2cnn3c2nc(C)cc3C(F)F)[NH+]2CCCC2)cc1 ZINC000072391758 558971533 /nfs/dbraw/zinc/97/15/33/558971533.db2.gz BQWCPLYMBHKFKL-IBGZPJMESA-N 1 0 413.472 3.851 40 0 HHABRO Cc1c(C(=O)NC2CC[NH+](CC3(c4ccc(Cl)cc4)CCC3)CC2)cnn1C ZINC000072393385 558972788 /nfs/dbraw/zinc/97/27/88/558972788.db2.gz DCKOTUDMMKOLTH-UHFFFAOYSA-N 1 0 400.954 3.698 40 0 HHABRO c1ccc(OCCn2nc(C3CC[NH+](Cc4cccnc4)CC3)c3nccnc32)cc1 ZINC000072395856 558974863 /nfs/dbraw/zinc/97/48/63/558974863.db2.gz ZNPZSVMQJSAVSS-UHFFFAOYSA-N 1 0 414.513 3.680 40 0 HHABRO Cc1sc(NC(=O)CN2CCC([NH+]3CCCC3)CC2)nc1-c1ccc(F)cc1 ZINC000019715454 558976636 /nfs/dbraw/zinc/97/66/36/558976636.db2.gz QQTFEGTWFVVYIC-UHFFFAOYSA-N 1 0 402.539 3.756 40 0 HHABRO Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H](CC[NH+]3CCCCC3)c3ccccc3)c12 ZINC000019716109 558977764 /nfs/dbraw/zinc/97/77/64/558977764.db2.gz GPLAOVDHPHZMNL-NRFANRHFSA-N 1 0 405.546 3.932 40 0 HHABRO O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100718 559024248 /nfs/dbraw/zinc/02/42/48/559024248.db2.gz URFGISSVDRWIDQ-IFMALSPDSA-N 1 0 406.954 3.745 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCCN3C(=O)c3snnc3C)CC2)cc1 ZINC000585100807 559025543 /nfs/dbraw/zinc/02/55/43/559025543.db2.gz XGISQILWQVUFEW-OAQYLSRUSA-N 1 0 400.548 3.516 40 0 HHABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@H](CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000096052809 559092486 /nfs/dbraw/zinc/09/24/86/559092486.db2.gz JHSGVQYPGDLFEB-FQEVSTJZSA-N 1 0 423.557 3.561 40 0 HHABRO COCCNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053364 559093365 /nfs/dbraw/zinc/09/33/65/559093365.db2.gz IYGFSRFRLJTEHA-SFHVURJKSA-N 1 0 414.571 3.802 40 0 HHABRO O=C(c1cc(-c2ccn(CC3CC3)n2)n2ccccc12)N1CCC([NH+]2CCCC2)CC1 ZINC000096154728 559099123 /nfs/dbraw/zinc/09/91/23/559099123.db2.gz QOLAGDULDQMJGS-UHFFFAOYSA-N 1 0 417.557 3.913 40 0 HHABRO CC(C)CN(C)C(=O)c1ncn2c1nccc2C1CC[NH+](Cc2ccccc2)CC1 ZINC000096155690 559099897 /nfs/dbraw/zinc/09/98/97/559099897.db2.gz YNOYYQMLUAVKSD-UHFFFAOYSA-N 1 0 405.546 3.837 40 0 HHABRO O=S(=O)(Cc1ccccc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccccc2F)C1 ZINC000096214619 559101723 /nfs/dbraw/zinc/10/17/23/559101723.db2.gz WZDXZVNGDAHXAB-QFIPXVFZSA-N 1 0 402.535 3.786 40 0 HHABRO Cc1cncc(C(=O)N2Cc3ccccc3C3(CC[NH+](C4CCOCC4)CC3)C2)c1 ZINC000096242470 559104145 /nfs/dbraw/zinc/10/41/45/559104145.db2.gz SCJLLQHHLCDBJU-UHFFFAOYSA-N 1 0 405.542 3.559 40 0 HHABRO COc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000096625815 559111682 /nfs/dbraw/zinc/11/16/82/559111682.db2.gz ALHWPMRJTWUKIJ-UHFFFAOYSA-N 1 0 402.922 3.756 40 0 HHABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585287813 559123162 /nfs/dbraw/zinc/12/31/62/559123162.db2.gz SKJPRTLAPGBYKZ-PTLVVNQVSA-N 1 0 420.569 3.705 40 0 HHABRO 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 559123317 /nfs/dbraw/zinc/12/33/17/559123317.db2.gz ZWHYLOANGHSYDP-STAGFUQPSA-N 1 0 415.496 3.885 40 0 HHABRO Cc1nc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)n2)sc1C ZINC000585292089 559124616 /nfs/dbraw/zinc/12/46/16/559124616.db2.gz JTWCEXDJHZWURM-VMSUTVGLSA-N 1 0 414.579 3.773 40 0 HHABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000072358893 559186093 /nfs/dbraw/zinc/18/60/93/559186093.db2.gz NCNIJLRRLICVKC-FQEVSTJZSA-N 1 0 402.498 3.501 40 0 HHABRO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000000889931 560542080 /nfs/dbraw/zinc/54/20/80/560542080.db2.gz PGJJVSVRGJKEEE-INIZCTEOSA-N 1 0 404.328 3.621 40 0 HHABRO Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000004131254 560599652 /nfs/dbraw/zinc/59/96/52/560599652.db2.gz GUNMPHGAHXABHH-UHFFFAOYSA-N 1 0 422.598 3.665 40 0 HHABRO COc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004231250 560602987 /nfs/dbraw/zinc/60/29/87/560602987.db2.gz ZIEIKLQBTJJNLD-UHFFFAOYSA-N 1 0 422.529 3.749 40 0 HHABRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000005001929 560620368 /nfs/dbraw/zinc/62/03/68/560620368.db2.gz WHFPKXSLGQPSFC-UHFFFAOYSA-N 1 0 412.477 3.896 40 0 HHABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 ZINC000409072834 560673451 /nfs/dbraw/zinc/67/34/51/560673451.db2.gz SQKNWTGXSALXDK-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000010544244 560770394 /nfs/dbraw/zinc/77/03/94/560770394.db2.gz GHOLGJYYUCVBPS-QGZVFWFLSA-N 1 0 403.386 3.523 40 0 HHABRO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1Cl ZINC000010544014 560770421 /nfs/dbraw/zinc/77/04/21/560770421.db2.gz PTGLRMYHWVWWGR-CHWSQXEVSA-N 1 0 409.379 3.648 40 0 HHABRO Fc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019372845 560872629 /nfs/dbraw/zinc/87/26/29/560872629.db2.gz HUUONVRFQOGRIW-HSZRJFAPSA-N 1 0 420.536 3.510 40 0 HHABRO Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019369646 560872843 /nfs/dbraw/zinc/87/28/43/560872843.db2.gz HYJAHYVZMPGRSB-QHCPKHFHSA-N 1 0 420.536 3.510 40 0 HHABRO CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000020140101 560881282 /nfs/dbraw/zinc/88/12/82/560881282.db2.gz LIXOOWRARNKVII-NRFANRHFSA-N 1 0 414.573 3.997 40 0 HHABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1F ZINC000022075701 568473926 /nfs/dbraw/zinc/47/39/26/568473926.db2.gz QBZLEARFFFDVHA-OAHLLOKOSA-N 1 0 410.917 3.517 40 0 HHABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1 ZINC000219234946 568488265 /nfs/dbraw/zinc/48/82/65/568488265.db2.gz WQDJDOCKKDCVRU-UHFFFAOYSA-N 1 0 407.514 3.534 40 0 HHABRO CCCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000057671215 568495118 /nfs/dbraw/zinc/49/51/18/568495118.db2.gz SJCPZAAJGWNIPB-NRFANRHFSA-N 1 0 408.550 3.985 40 0 HHABRO C[NH+](C)CCN(Cc1ccc(OCc2ccc3c(c2)OCO3)cc1)Cc1cccnc1 ZINC000022931642 568500847 /nfs/dbraw/zinc/50/08/47/568500847.db2.gz ACBHQAWFUCCTKM-UHFFFAOYSA-N 1 0 419.525 3.953 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000223278435 568543765 /nfs/dbraw/zinc/54/37/65/568543765.db2.gz CGEKLCCIYNRTRZ-NHCUHLMSSA-N 1 0 409.534 3.546 40 0 HHABRO O=C(NC[C@H]1COc2ccccc2O1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225237484 568624949 /nfs/dbraw/zinc/62/49/49/568624949.db2.gz UEAJFDAGHUQASI-QHCPKHFHSA-N 1 0 414.505 3.815 40 0 HHABRO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000225269416 568627061 /nfs/dbraw/zinc/62/70/61/568627061.db2.gz HZGAFVXIKUCGJY-GOSISDBHSA-N 1 0 400.906 3.508 40 0 HHABRO COc1cccc(OC)c1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903794 568684729 /nfs/dbraw/zinc/68/47/29/568684729.db2.gz PWJNIKHYOYMALU-QGZVFWFLSA-N 1 0 402.922 3.886 40 0 HHABRO Cn1c(C(=O)NC[C@H]2CC3(CC[NH+](Cc4ccsc4)CC3)O2)cc2ccccc21 ZINC000248095645 568747510 /nfs/dbraw/zinc/74/75/10/568747510.db2.gz XYGAKLCRZGYJAU-LJQANCHMSA-N 1 0 409.555 3.793 40 0 HHABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257201018 568776313 /nfs/dbraw/zinc/77/63/13/568776313.db2.gz AFVHOGQASGWDEB-KRWDZBQOSA-N 1 0 418.538 3.793 40 0 HHABRO Nc1nc2c(c(N)n1)C[C@]1(CCC[N@H+](CC(c3ccccc3)c3ccccc3)CC1)O2 ZINC000257208579 568778706 /nfs/dbraw/zinc/77/87/06/568778706.db2.gz BMTCMCHDWULQHG-RUZDIDTESA-N 1 0 415.541 3.633 40 0 HHABRO CC[N@@H+]1CC[C@H](CNC(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)C1 ZINC000257233604 568785674 /nfs/dbraw/zinc/78/56/74/568785674.db2.gz GPXDCHWRIBFLMH-OAQYLSRUSA-N 1 0 407.558 3.546 40 0 HHABRO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257260784 568793142 /nfs/dbraw/zinc/79/31/42/568793142.db2.gz LEIARNKXSXVOGD-VWLOTQADSA-N 1 0 424.504 3.969 40 0 HHABRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257268406 568795104 /nfs/dbraw/zinc/79/51/04/568795104.db2.gz MLNRUYBAEPZGMK-WLZDQVHRSA-N 1 0 406.954 3.789 40 0 HHABRO CNC(=O)C1(CC2CC[NH2+]CC2)CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000257284989 568799960 /nfs/dbraw/zinc/79/99/60/568799960.db2.gz PFEFKHNVKVISGO-UHFFFAOYSA-N 1 0 419.569 3.712 40 0 HHABRO COc1c(C)cccc1CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(C)=O)C2)ccn1 ZINC000257299168 568804293 /nfs/dbraw/zinc/80/42/93/568804293.db2.gz ROZPQWSKHYMGBU-IBGZPJMESA-N 1 0 405.502 3.737 40 0 HHABRO COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)o1 ZINC000257303015 568805239 /nfs/dbraw/zinc/80/52/39/568805239.db2.gz SFKYWEZZMHWHRD-FQEVSTJZSA-N 1 0 411.546 3.856 40 0 HHABRO Cc1cc(C)cc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306126521 568889273 /nfs/dbraw/zinc/88/92/73/568889273.db2.gz DYHOOFSIIXGVKI-NRFANRHFSA-N 1 0 405.546 3.562 40 0 HHABRO COCCN1CC[C@@]2(C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130467 568893012 /nfs/dbraw/zinc/89/30/12/568893012.db2.gz JHJDGWCBPRRDAH-DHLKQENFSA-N 1 0 424.589 3.545 40 0 HHABRO COc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306131788 568894225 /nfs/dbraw/zinc/89/42/25/568894225.db2.gz KPTGHWJOPKTPSZ-RCZVLFRGSA-N 1 0 422.573 3.701 40 0 HHABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(C)c4)CC2)CN(C)C3)cc1 ZINC000306139111 568900906 /nfs/dbraw/zinc/90/09/06/568900906.db2.gz SPTOPJBODSKDSK-UHFFFAOYSA-N 1 0 417.557 3.699 40 0 HHABRO Clc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140398 568902378 /nfs/dbraw/zinc/90/23/78/568902378.db2.gz USGZPIWYKQYZGW-GOSISDBHSA-N 1 0 411.937 3.599 40 0 HHABRO COc1ccc(C[NH+]2CCC3(CC2)Nc2ccc(OC)nc2-n2c(C)ncc23)cc1 ZINC000306141643 568903255 /nfs/dbraw/zinc/90/32/55/568903255.db2.gz WCTRTIAMYFJMNH-UHFFFAOYSA-N 1 0 405.502 3.510 40 0 HHABRO COC[C@@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218589321 568938413 /nfs/dbraw/zinc/93/84/13/568938413.db2.gz QZBLKSMVNIQJEB-SQNIBIBYSA-N 1 0 400.327 3.525 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2cccnc2)n1 ZINC000328990330 568971672 /nfs/dbraw/zinc/97/16/72/568971672.db2.gz INNLRTJPJUGLSJ-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO C[NH+](C)CCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329032255 568973802 /nfs/dbraw/zinc/97/38/02/568973802.db2.gz QNVLJDZTIDLUNH-UHFFFAOYSA-N 1 0 401.436 3.723 40 0 HHABRO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000329041936 568974375 /nfs/dbraw/zinc/97/43/75/568974375.db2.gz SLGRQDIHUBRJMG-UHFFFAOYSA-N 1 0 410.953 3.760 40 0 HHABRO O=C1CCC[C@]2(C[N@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2ccccc2)N1 ZINC000019373758 569124758 /nfs/dbraw/zinc/12/47/58/569124758.db2.gz JIAPSXVQHLSKMU-WIOPSUGQSA-N 1 0 414.509 3.907 40 0 HHABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248099214 569316194 /nfs/dbraw/zinc/31/61/94/569316194.db2.gz ORMQXLNTCVDJJK-DVECYGJZSA-N 1 0 412.530 3.874 40 0 HHABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248265746 569316770 /nfs/dbraw/zinc/31/67/70/569316770.db2.gz DUFAETVUVTZTPF-UZUQRXQVSA-N 1 0 416.493 3.705 40 0 HHABRO CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2ccccn2)CC1 ZINC000019700483 569347206 /nfs/dbraw/zinc/34/72/06/569347206.db2.gz ZWMKXWAEJHONAA-UHFFFAOYSA-N 1 0 400.526 3.715 40 0 HHABRO COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908582 569352111 /nfs/dbraw/zinc/35/21/11/569352111.db2.gz VOONAAFNEOAFQK-MJGOQNOKSA-N 1 0 400.494 3.630 40 0 HHABRO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328957886 571306217 /nfs/dbraw/zinc/30/62/17/571306217.db2.gz ALZPWTKRKYEOBX-KRWDZBQOSA-N 1 0 405.340 4.157 40 0 HHABRO Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635402 961580869 /nfs/dbraw/zinc/58/08/69/961580869.db2.gz AYGHCTXWNNSNGU-ZCNNSNEGSA-N 1 0 404.514 3.596 40 0 biogenic,in-vitro HHABRO CC1=C[C@@H](C[NH+]2CCC(C(N)=O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883584 291248744 /nfs/dbraw/zinc/24/87/44/291248744.db2.gz ZHNZUQCFLMGORI-UFYCRDLUSA-N 1 0 416.610 3.962 40 0 biogenic,in-vitro HHABRO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000012145720 132355218 /nfs/dbraw/zinc/35/52/18/132355218.db2.gz BGYIGQWMEHSHJS-UHFFFAOYSA-N 1 0 418.545 3.697 40 0 HHABRO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(OC)c1OC ZINC000044882879 524066418 /nfs/dbraw/zinc/06/64/18/524066418.db2.gz XQJOWYNARHYRON-KRWDZBQOSA-N 1 0 412.530 3.874 40 0 HHABRO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000328963425 526154988 /nfs/dbraw/zinc/15/49/88/526154988.db2.gz BNIJVUJOTUHSKL-UHFFFAOYSA-N 1 0 418.383 3.684 40 0 HHABRO COc1ccc2c(c1)[nH+]c(C)cc2N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000001612264 537015074 /nfs/dbraw/zinc/01/50/74/537015074.db2.gz KJEQBZTYDWUTMM-UHFFFAOYSA-N 1 0 402.709 3.571 40 0 HHABRO Cc1cc2c(cc1Cl)SC(NNC(=[NH2+])c1ccc(Cl)cc1)=NS2(=O)=O ZINC000001645195 557278545 /nfs/dbraw/zinc/27/85/45/557278545.db2.gz HULABASVAFSTPH-UHFFFAOYSA-N 1 0 415.327 3.572 40 0 HHABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004133816 557518309 /nfs/dbraw/zinc/51/83/09/557518309.db2.gz HRBFZGQRCLPXRP-UHFFFAOYSA-N 1 0 416.635 3.963 40 0 HHABRO COc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1Br ZINC000408603191 557523665 /nfs/dbraw/zinc/52/36/65/557523665.db2.gz BHXRKIJXXLVJIK-GOSISDBHSA-N 1 0 415.331 3.731 40 0 HHABRO C[C@H]([NH2+]Cc1ccccc1OCC(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004599702 557571149 /nfs/dbraw/zinc/57/11/49/557571149.db2.gz BUPRKTWHKSPPBA-VEDPWSRISA-N 1 0 412.574 3.619 40 0 HHABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000008254423 557778485 /nfs/dbraw/zinc/77/84/85/557778485.db2.gz QKXSJCMJEGAXKB-UHFFFAOYSA-N 1 0 402.510 3.850 40 0 HHABRO O=C(C[NH+]1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1)N1CCCCC1 ZINC000019744108 558264719 /nfs/dbraw/zinc/26/47/19/558264719.db2.gz WQPMAHGPKDNSJI-QHCPKHFHSA-N 1 0 411.590 3.540 40 0 HHABRO Cc1nn(C)c2nc(C3CCN(C(=O)[C@H](c4ccccc4)[NH+]4CCCC4)CC3)ccc12 ZINC000019744723 558265223 /nfs/dbraw/zinc/26/52/23/558265223.db2.gz GFBVFXZVCBBEKU-QHCPKHFHSA-N 1 0 417.557 3.820 40 0 HHABRO Cc1nc(C2CC[NH+](Cc3cccnc3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019752958 558272231 /nfs/dbraw/zinc/27/22/31/558272231.db2.gz RQRDJKAXVLFBPJ-UHFFFAOYSA-N 1 0 414.557 3.907 40 0 HHABRO C[C@H]1C[C@H](C)C[NH+](CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000012182210 558343210 /nfs/dbraw/zinc/34/32/10/558343210.db2.gz HAFYLKNECXTJLO-SAKMYQHLSA-N 1 0 418.994 3.879 40 0 HHABRO O=c1[nH]c2c(cc1C[NH2+][C@H]1CCCOC1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000012186501 558345720 /nfs/dbraw/zinc/34/57/20/558345720.db2.gz GDPSTOBREOTQPA-IBGZPJMESA-N 1 0 418.472 3.789 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cc1Cn1cccn1 ZINC000012251853 558362471 /nfs/dbraw/zinc/36/24/71/558362471.db2.gz IXPSJKBAGQGLFI-DEOSSOPVSA-N 1 0 409.505 3.953 40 0 HHABRO CCn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c2ccccc21 ZINC000012293285 558366500 /nfs/dbraw/zinc/36/65/00/558366500.db2.gz JFUABABIVMGFJS-GOTSBHOMSA-N 1 0 422.525 3.751 40 0 HHABRO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](CCC(=O)c3ccccc3)CC2)C1 ZINC000012366023 558388289 /nfs/dbraw/zinc/38/82/89/558388289.db2.gz GAXPLFXYLKUGRH-VWLOTQADSA-N 1 0 406.526 3.925 40 0 HHABRO COc1ccccc1N1CCN(C(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000030753789 558736437 /nfs/dbraw/zinc/73/64/37/558736437.db2.gz MHTMQEYVOASAFQ-UHFFFAOYSA-N 1 0 407.558 3.890 40 0 HHABRO COC(=O)C1=C(C)N(C)C2=[N+](C(=O)C(c3ccccc3)S2)[C@H]1c1cccc(OC)c1 ZINC000036624793 558800211 /nfs/dbraw/zinc/80/02/11/558800211.db2.gz PVKLGNGJYPJJOK-IBGZPJMESA-O 1 0 423.514 3.903 40 0 HHABRO Cc1cc(C)n(-c2cccc(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)c2)n1 ZINC000036740087 558801578 /nfs/dbraw/zinc/80/15/78/558801578.db2.gz YFTPCOSCHDNGLW-UHFFFAOYSA-N 1 0 419.573 3.609 40 0 HHABRO C[NH+]1CCC(N(C[C@H]2CCCO2)C(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000019082406 558840151 /nfs/dbraw/zinc/84/01/51/558840151.db2.gz SWUKBEDKZRBBQR-FUHWJXTLSA-N 1 0 403.567 3.541 40 0 HHABRO CC(C)(C)CC(=O)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019082727 558840251 /nfs/dbraw/zinc/84/02/51/558840251.db2.gz NEVUKNSHTFPPAL-UHFFFAOYSA-N 1 0 400.563 3.857 40 0 HHABRO Cc1cc2c(cc1Br)[C@H](O)[C@](C[NH+]1CCCCC1)(N1CCCCC1)CO2 ZINC000019203057 558847614 /nfs/dbraw/zinc/84/76/14/558847614.db2.gz PRCHEBOJKXRRQR-LEWJYISDSA-N 1 0 423.395 3.894 40 0 HHABRO Cc1sc2ncn(CC3(O)CC[NH+](Cc4ccc(C)c(C)c4)CC3)c(=O)c2c1C ZINC000019213943 558849412 /nfs/dbraw/zinc/84/94/12/558849412.db2.gz AMJXADOIFBBOEA-UHFFFAOYSA-N 1 0 411.571 3.719 40 0 HHABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3c[nH]c4ccc(C)cc43)CC1)O2 ZINC000019220550 558851861 /nfs/dbraw/zinc/85/18/61/558851861.db2.gz CKAVJTDNQINBCN-XZOQPEGZSA-N 1 0 422.525 3.869 40 0 HHABRO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@H+](Cc3cccc(OC[C@H]4CCCO4)c3)C[C@@H]21 ZINC000019237871 558856904 /nfs/dbraw/zinc/85/69/04/558856904.db2.gz YOPIMSVARWYOCN-BQXRJHOYSA-N 1 0 408.542 3.677 40 0 HHABRO Cc1ccnn1Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c2ccccc2n1 ZINC000019238535 558857504 /nfs/dbraw/zinc/85/75/04/558857504.db2.gz LATOOILCRJSQEU-LJQANCHMSA-N 1 0 405.546 3.638 40 0 HHABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000019288911 558861720 /nfs/dbraw/zinc/86/17/20/558861720.db2.gz PACFCEOQHCZRNX-UHFFFAOYSA-N 1 0 424.495 3.689 40 0 HHABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2cccnc2)CC1)c1cccc(F)c1 ZINC000019400879 558883452 /nfs/dbraw/zinc/88/34/52/558883452.db2.gz KDXXSFRLZDHSPN-QHCPKHFHSA-N 1 0 404.489 3.999 40 0 HHABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000019500957 558898760 /nfs/dbraw/zinc/89/87/60/558898760.db2.gz MOCJEIJGQSQJSH-CEXWTWQISA-N 1 0 402.539 3.651 40 0 HHABRO CCCN1CC[N@H+](CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503258 558900393 /nfs/dbraw/zinc/90/03/93/558900393.db2.gz XTLXJQFAZNSOPN-XMMPIXPASA-N 1 0 419.569 3.808 40 0 HHABRO CCn1cc(C[N@@H+]2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)c(C)n1 ZINC000019524607 558905631 /nfs/dbraw/zinc/90/56/31/558905631.db2.gz WIOJPTFJCQYMRX-RBBKRZOGSA-N 1 0 402.489 3.518 40 0 HHABRO CCN1CC[N@H+](Cc2cccnc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527451 558908808 /nfs/dbraw/zinc/90/88/08/558908808.db2.gz NCAMEOAJQGRLBC-DEOSSOPVSA-N 1 0 400.526 3.667 40 0 HHABRO COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000019553976 558916960 /nfs/dbraw/zinc/91/69/60/558916960.db2.gz JAKOLGSQPJGUKP-DNQXCXABSA-N 1 0 416.525 3.730 40 0 HHABRO COc1ccc(C[NH2+][C@@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)cc1 ZINC000019555872 558918403 /nfs/dbraw/zinc/91/84/03/558918403.db2.gz AEQLYBIZUCOBDD-QHCPKHFHSA-N 1 0 412.493 3.914 40 0 HHABRO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019579614 558935299 /nfs/dbraw/zinc/93/52/99/558935299.db2.gz ISVYJMHVJDOTIN-DEOSSOPVSA-N 1 0 404.514 3.650 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000072337785 558938094 /nfs/dbraw/zinc/93/80/94/558938094.db2.gz NEVQXBZFGBLFPC-NQIIRXRSSA-N 1 0 422.554 3.930 40 0 HHABRO C[C@@H](C[NH+](C)C)Nc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072340126 558938772 /nfs/dbraw/zinc/93/87/72/558938772.db2.gz CQLGYNHFBWCWAS-KRWDZBQOSA-N 1 0 420.536 3.598 40 0 HHABRO COc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000019654693 558948016 /nfs/dbraw/zinc/94/80/16/558948016.db2.gz DKNPYOUUMPPEPA-QGZVFWFLSA-N 1 0 410.514 3.556 40 0 HHABRO Cc1nc2cc(NC(=O)C[N@@H+]3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C ZINC000019658017 558949833 /nfs/dbraw/zinc/94/98/33/558949833.db2.gz KGGILXOIUZSRCA-QGZVFWFLSA-N 1 0 416.529 3.651 40 0 HHABRO Cc1cc(NCCNC(=O)c2cccc(N3CCOCC3)c2C)c2ccccc2[nH+]1 ZINC000019664099 558954611 /nfs/dbraw/zinc/95/46/11/558954611.db2.gz VJCHUMAVOUDOHZ-UHFFFAOYSA-N 1 0 404.514 3.530 40 0 HHABRO Cc1nn(C)c2nc([C@@H]3CCCN(C(=O)CC4=CC(C)(C)[NH2+]C(C)(C)C4)C3)ccc12 ZINC000072374485 558962130 /nfs/dbraw/zinc/96/21/30/558962130.db2.gz UOEGHUAKIDQZQD-GOSISDBHSA-N 1 0 409.578 3.850 40 0 HHABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376097 558965059 /nfs/dbraw/zinc/96/50/59/558965059.db2.gz VHFBKYBVJRECQE-HXUWFJFHSA-N 1 0 418.545 3.887 40 0 HHABRO COc1ccc2c(c1)c([C@@H]1CN(Cc3ccc(OC)c(OC)c3)C[C@H]1[NH+](C)C)cn2C ZINC000072395502 558974264 /nfs/dbraw/zinc/97/42/64/558974264.db2.gz ICBHZAXHJJECDR-JTHBVZDNSA-N 1 0 423.557 3.734 40 0 HHABRO Cc1c(-c2cc(C(=O)NC(C)(C)C[NH+]3CCCCC3)c3ccccc3n2)cnn1C ZINC000019716497 558978542 /nfs/dbraw/zinc/97/85/42/558978542.db2.gz LYPLVZNRCJBTQI-UHFFFAOYSA-N 1 0 405.546 3.938 40 0 HHABRO CN(CCc1ccccc1)c1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[nH]1 ZINC000019717519 558980275 /nfs/dbraw/zinc/98/02/75/558980275.db2.gz IVUCUDXXWKSHAC-UHFFFAOYSA-N 1 0 403.530 3.636 40 0 HHABRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099819 559024476 /nfs/dbraw/zinc/02/44/76/559024476.db2.gz CWGVABKPIOYAMF-NRFANRHFSA-N 1 0 402.564 3.912 40 0 HHABRO COc1ccc(F)c(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccncc4)[C@H]3C2)c1 ZINC000585109514 559029337 /nfs/dbraw/zinc/02/93/37/559029337.db2.gz ANJYFLHCSXXERP-WPFOTENUSA-N 1 0 417.484 3.930 40 0 HHABRO CC(C)n1c2cc(C(=O)NCCC[NH+](C)C)n(-c3ncccn3)c2c2ccccc21 ZINC000096037398 559091140 /nfs/dbraw/zinc/09/11/40/559091140.db2.gz GDDSQLZJYCTTMD-UHFFFAOYSA-N 1 0 404.518 3.638 40 0 HHABRO COCCN(C)c1nc(C2CC[NH+](Cc3ccccn3)CC2)cc2c1ncn2C(C)C ZINC000096100032 559095459 /nfs/dbraw/zinc/09/54/59/559095459.db2.gz PZFDLEVYHOOFCR-UHFFFAOYSA-N 1 0 422.577 3.869 40 0 HHABRO COc1cccc(CC(=O)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221028 559101986 /nfs/dbraw/zinc/10/19/86/559101986.db2.gz YCNXFWRTTVANLL-QFIPXVFZSA-N 1 0 408.542 3.520 40 0 HHABRO O=C(c1cscn1)N1C[C@@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096245487 559105064 /nfs/dbraw/zinc/10/50/64/559105064.db2.gz POQRKMBFEKVMSZ-SFTDATJTSA-N 1 0 403.551 3.979 40 0 HHABRO O=C(Nc1ccccc1)N1C[C@H]2C[NH+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245603 559105197 /nfs/dbraw/zinc/10/51/97/559105197.db2.gz XURVPRVMHGUASP-FGZHOGPDSA-N 1 0 404.558 3.747 40 0 HHABRO O[C@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCCn3cccn3)c2)C1 ZINC000585272878 559117144 /nfs/dbraw/zinc/11/71/44/559117144.db2.gz KDXYGZVSLGMWDX-RUZDIDTESA-N 1 0 421.541 3.758 40 0 HHABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274149 559118513 /nfs/dbraw/zinc/11/85/13/559118513.db2.gz SPJVIOVOVCZZKJ-DEOSSOPVSA-N 1 0 414.521 3.700 40 0 HHABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585287814 559123182 /nfs/dbraw/zinc/12/31/82/559123182.db2.gz SKJPRTLAPGBYKZ-ZILOHOTNSA-N 1 0 420.569 3.705 40 0 HHABRO COC(=O)c1ccccc1NC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000098063903 559126343 /nfs/dbraw/zinc/12/63/43/559126343.db2.gz BHLCSNOXDNLSFX-XHIHJMKYSA-N 1 0 409.530 3.900 40 0 HHABRO CCC1CC[NH+](CCC2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000100226867 559132520 /nfs/dbraw/zinc/13/25/20/559132520.db2.gz QVDXEXLOCQBRJT-QFIPXVFZSA-N 1 0 415.553 3.682 40 0 HHABRO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](N5CC5)[C@H](C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000118913833 559205195 /nfs/dbraw/zinc/20/51/95/559205195.db2.gz WRCFYFRXAYMSAE-XESDPUNYSA-N 1 0 415.574 3.639 40 0 in-vitro HHABRO COc1ccccc1-c1cccc(CC2(C(=O)NCCC[NH+](C)C)CCOCC2)c1 ZINC000257207901 559282502 /nfs/dbraw/zinc/28/25/02/559282502.db2.gz BJVNLTQFDOZLTG-UHFFFAOYSA-N 1 0 410.558 3.769 40 0 HHABRO COC1(COc2ccc(C)cc2C)CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000257282372 559285297 /nfs/dbraw/zinc/28/52/97/559285297.db2.gz OTNBOPSJNVPQOP-UHFFFAOYSA-N 1 0 414.521 3.619 40 0 HHABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004133754 560600769 /nfs/dbraw/zinc/60/07/69/560600769.db2.gz ZOTYIQYNYNGRBM-UHFFFAOYSA-N 1 0 416.635 3.963 40 0 HHABRO Cc1occc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1CCC[NH+](C)C ZINC000004860633 560613387 /nfs/dbraw/zinc/61/33/87/560613387.db2.gz GCPHDRKDDCMIPT-UHFFFAOYSA-N 1 0 417.510 3.668 40 0 HHABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409056667 560670395 /nfs/dbraw/zinc/67/03/95/560670395.db2.gz HSSSLAKFAWVAQU-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(C)cc2)cc1 ZINC000409054679 560671327 /nfs/dbraw/zinc/67/13/27/560671327.db2.gz AYAJAWLHBVTPPZ-PVTRQTPWSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409054676 560671361 /nfs/dbraw/zinc/67/13/61/560671361.db2.gz AYAJAWLHBVTPPZ-LEMNDLQOSA-O 1 0 412.513 3.628 40 0 HHABRO COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCN(C)C2 ZINC000004223468 560735326 /nfs/dbraw/zinc/73/53/26/560735326.db2.gz XVVOPLYWEDPJIX-UHFFFAOYSA-N 1 0 409.305 3.537 40 0 HHABRO COc1cc(C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)cc2c1OCO2 ZINC000013994238 560831755 /nfs/dbraw/zinc/83/17/55/560831755.db2.gz ONUJRQYWLJMLET-SFHVURJKSA-N 1 0 415.486 3.622 40 0 HHABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)cc2)CC1 ZINC000017090937 560865692 /nfs/dbraw/zinc/86/56/92/560865692.db2.gz HAQJPFOOXJNUJT-UHFFFAOYSA-N 1 0 416.978 3.917 40 0 HHABRO Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019372827 560872528 /nfs/dbraw/zinc/87/25/28/560872528.db2.gz ILQWFWXLDPQQGC-HSZRJFAPSA-N 1 0 420.536 3.510 40 0 HHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)c1 ZINC000022108545 568475439 /nfs/dbraw/zinc/47/54/39/568475439.db2.gz AMJNXSZXHJWCEN-UHFFFAOYSA-N 1 0 411.429 3.991 40 0 HHABRO COc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(C)cc4)CC3)n2)cc1 ZINC000219408697 568491327 /nfs/dbraw/zinc/49/13/27/568491327.db2.gz DUXITPXDPVTKCP-UHFFFAOYSA-N 1 0 420.513 3.582 40 0 HHABRO c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929086 568501354 /nfs/dbraw/zinc/50/13/54/568501354.db2.gz LCMIHKBQIHOPMQ-XMMPIXPASA-N 1 0 416.573 3.761 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000223236423 568542068 /nfs/dbraw/zinc/54/20/68/568542068.db2.gz GAWJFERPRXOBGG-VXKWHMMOSA-N 1 0 423.561 3.936 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000223236283 568542082 /nfs/dbraw/zinc/54/20/82/568542082.db2.gz UGLSOYXORLSVSJ-FCHUYYIVSA-N 1 0 423.561 3.936 40 0 HHABRO COC(=O)c1cc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)ccc1Cl ZINC000225743399 568670595 /nfs/dbraw/zinc/67/05/95/568670595.db2.gz KMVOEJAXQSOFAH-UHFFFAOYSA-N 1 0 417.962 3.861 40 0 HHABRO COc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000225900901 568684461 /nfs/dbraw/zinc/68/44/61/568684461.db2.gz NYFMIXVIFJCCGE-HXUWFJFHSA-N 1 0 412.530 3.583 40 0 HHABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)COc1ccccc1F ZINC000257205333 568777656 /nfs/dbraw/zinc/77/76/56/568777656.db2.gz AYOOOLCURKWOTN-MAAHOPOVSA-N 1 0 408.517 3.947 40 0 HHABRO Cc1cncc([C@@H]2CCCN(C(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)C2)n1 ZINC000257207003 568778101 /nfs/dbraw/zinc/77/81/01/568778101.db2.gz BFVQOBCYTKPKOW-HXUWFJFHSA-N 1 0 410.537 3.585 40 0 HHABRO COc1ccccc1-c1cccc(CC2(C(=O)NC3CC[NH+](C)CC3)CCOCC2)c1 ZINC000257224779 568783351 /nfs/dbraw/zinc/78/33/51/568783351.db2.gz FDHXOTMVBSMNJG-UHFFFAOYSA-N 1 0 422.569 3.912 40 0 HHABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CCn3ccccc3=O)C2)[nH+]1 ZINC000257224534 568783397 /nfs/dbraw/zinc/78/33/97/568783397.db2.gz FCFCMMUICVZZEC-GOSISDBHSA-N 1 0 420.488 3.841 40 0 HHABRO COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)C[NH+]4CCCCCC4)C3)o2)c1 ZINC000257252386 568790936 /nfs/dbraw/zinc/79/09/36/568790936.db2.gz JUQPIXFOWLQNGF-FQEVSTJZSA-N 1 0 411.546 3.856 40 0 HHABRO CN(C)C(=O)[C@]1(c2ccccn2)CCCN1Cc1cccc(OCc2ccccn2)c1 ZINC000257254443 568791608 /nfs/dbraw/zinc/79/16/08/568791608.db2.gz KDCGAAVWUGXBEL-RUZDIDTESA-N 1 0 416.525 3.635 40 0 HHABRO CN(C(=O)C[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1)C1CCCCC1 ZINC000257302039 568805037 /nfs/dbraw/zinc/80/50/37/568805037.db2.gz SBEDNUXVQSBOKD-UHFFFAOYSA-N 1 0 408.550 3.586 40 0 HHABRO C[C@@H](Cc1c[nH]c2ccccc12)Nc1cc(-c2c3c(nn2C)CCCC3)nc(N)n1 ZINC000257322288 568811012 /nfs/dbraw/zinc/81/10/12/568811012.db2.gz WFIXVNDUWKUTKM-AWEZNQCLSA-N 1 0 401.518 3.863 40 0 HHABRO Clc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306129931 568892329 /nfs/dbraw/zinc/89/23/29/568892329.db2.gz IRCYABBMVSIKGV-GOSISDBHSA-N 1 0 411.937 3.599 40 0 HHABRO CCOc1ccsc1C(=O)N1CCC2(C[C@H](C[NH+]3CCC(F)(F)CC3)O2)CC1 ZINC000306130693 568893138 /nfs/dbraw/zinc/89/31/38/568893138.db2.gz JNCDJMXQEXSWLN-OAHLLOKOSA-N 1 0 414.518 3.642 40 0 HHABRO CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000306134510 568896482 /nfs/dbraw/zinc/89/64/82/568896482.db2.gz NPKTYADGULHNIR-UHFFFAOYSA-N 1 0 409.484 3.660 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(F)c4)C[C@H]32)cc1 ZINC000306134831 568896731 /nfs/dbraw/zinc/89/67/31/568896731.db2.gz NZFNHQRYYVTVMS-XZOQPEGZSA-N 1 0 405.473 3.717 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc(OC)cc4)C[C@@H]32)cc1 ZINC000306135214 568897122 /nfs/dbraw/zinc/89/71/22/568897122.db2.gz OLCAVNMLPFVOLQ-RPWUZVMVSA-N 1 0 417.509 3.587 40 0 HHABRO Cn1nccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306138403 568900394 /nfs/dbraw/zinc/90/03/94/568900394.db2.gz RWWTWDHKETULFX-XUZZJYLKSA-N 1 0 420.582 3.890 40 0 HHABRO O=C(c1ccsc1)N1C[C@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)c2ncccc21 ZINC000306141764 568903311 /nfs/dbraw/zinc/90/33/11/568903311.db2.gz WFRFINUVBPHIHR-HSZRJFAPSA-N 1 0 419.506 3.676 40 0 HHABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611158 568939718 /nfs/dbraw/zinc/93/97/18/568939718.db2.gz COKOVRNILPZULJ-QYZOEREBSA-N 1 0 414.354 3.915 40 0 HHABRO C[NH+](C)CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329017940 568972888 /nfs/dbraw/zinc/97/28/88/568972888.db2.gz NNYLXPBDPVVIGT-UHFFFAOYSA-N 1 0 419.426 3.862 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2cccnc2)n1 ZINC000329070587 568975907 /nfs/dbraw/zinc/97/59/07/568975907.db2.gz ZIADNAIMAJKTCI-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccc(Br)cc2Br)C1 ZINC000035052987 569027778 /nfs/dbraw/zinc/02/77/78/569027778.db2.gz ZQODDIMANSGQIW-OBJOEFQTSA-N 1 0 421.173 3.929 40 0 HHABRO O=C(CCc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199323 569059045 /nfs/dbraw/zinc/05/90/45/569059045.db2.gz ZRBXXIDEDYNXKB-LNEBKTTKSA-N 1 0 406.570 3.976 40 0 HHABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000253602496 569318466 /nfs/dbraw/zinc/31/84/66/569318466.db2.gz PASOMSLWCUNAGA-PKOBYXMFSA-N 1 0 418.541 3.625 40 0 HHABRO COc1ccc(-n2ncc(CNC(C)=O)c2[C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000019707859 569348108 /nfs/dbraw/zinc/34/81/08/569348108.db2.gz IDKHFSWGXKIFFL-IBGZPJMESA-N 1 0 422.504 3.646 40 0 HHABRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3cnc(C)s3)CC[C@]23CCC(=O)N3)cc1OC ZINC000019740348 569348687 /nfs/dbraw/zinc/34/86/87/569348687.db2.gz RIAPSMNQPJOYMX-CECAUBDESA-N 1 0 415.559 3.543 40 0 HHABRO COCCN1CC=CCC2(CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)C1=O ZINC000019744774 569348719 /nfs/dbraw/zinc/34/87/19/569348719.db2.gz JCYJYOWGJOGKLS-UHFFFAOYSA-N 1 0 410.562 3.634 40 0 HHABRO CC1CC[NH+](Cc2cccc(NC(=O)c3cc(=O)[nH]c(-c4ccccc4)n3)c2)CC1 ZINC000141563539 569354851 /nfs/dbraw/zinc/35/48/51/569354851.db2.gz DYLKNTRPBKQONV-UHFFFAOYSA-N 1 0 402.498 3.921 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(OC(F)F)cc2)cc(C(F)(F)F)n1 ZINC000329061307 571304441 /nfs/dbraw/zinc/30/44/41/571304441.db2.gz WRDGSEUSJOQZLS-UHFFFAOYSA-N 1 0 405.371 4.204 40 0 HHABRO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(NCC[NH+](C)C)n1 ZINC000328965503 571307851 /nfs/dbraw/zinc/30/78/51/571307851.db2.gz CDFATUJYOHNKSX-UHFFFAOYSA-N 1 0 423.361 4.420 40 0 HHABRO CC(C)NC(=O)OC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635879 291248422 /nfs/dbraw/zinc/24/84/22/291248422.db2.gz RLPUFHVINSHECO-UHOSZYNNSA-N 1 0 400.498 3.539 40 0 biogenic,in-vitro HHABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(COc4ccccn4)CC3)ccc21 ZINC000012326740 132358753 /nfs/dbraw/zinc/35/87/53/132358753.db2.gz OEMUZMKKFNTWNS-QHCPKHFHSA-N 1 0 423.557 3.595 40 0 HHABRO COc1cc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000044917564 522408043 /nfs/dbraw/zinc/40/80/43/522408043.db2.gz IXZFGZWQGURMFJ-UHFFFAOYSA-N 1 0 412.530 3.549 40 0 HHABRO COC(=O)CCCC[NH2+][C@H]1c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000044136635 523005898 /nfs/dbraw/zinc/00/58/98/523005898.db2.gz LMFWHCAIQATTKM-FQEVSTJZSA-N 1 0 422.934 3.501 40 0 in-vitro HHABRO CCCCNC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2[N@H+](C)C1 ZINC000005179327 557638967 /nfs/dbraw/zinc/63/89/67/557638967.db2.gz LTNOUVDGXDBIHL-MRRJBJDNSA-N 1 0 404.352 3.807 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cc1 ZINC000019741478 558262066 /nfs/dbraw/zinc/26/20/66/558262066.db2.gz ARAYZCKCSXBHNE-FQEVSTJZSA-N 1 0 420.557 3.862 40 0 HHABRO C[NH+](C)CCOc1ccccc1NC(=O)[C@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000019748012 558267143 /nfs/dbraw/zinc/26/71/43/558267143.db2.gz YXOQESBADNPTAU-HNNXBMFYSA-N 1 0 422.451 3.506 40 0 HHABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752936 558272296 /nfs/dbraw/zinc/27/22/96/558272296.db2.gz GTFOFVZTLGHMQL-NRFANRHFSA-N 1 0 414.557 3.907 40 0 HHABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000019756697 558274564 /nfs/dbraw/zinc/27/45/64/558274564.db2.gz YAAJHRFAQFWKRQ-QFIPXVFZSA-N 1 0 406.574 3.961 40 0 HHABRO COc1cccc(-c2n[nH]cc2C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)c1 ZINC000012143843 558335685 /nfs/dbraw/zinc/33/56/85/558335685.db2.gz WHZMKGUSHZABLP-UHFFFAOYSA-N 1 0 422.504 3.852 40 0 HHABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c1 ZINC000012330063 558384774 /nfs/dbraw/zinc/38/47/74/558384774.db2.gz DYLPIXXLTYEVHB-VQTJNVASSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012329924 558384861 /nfs/dbraw/zinc/38/48/61/558384861.db2.gz TYEDVSCINYRXPT-VQTJNVASSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)C[C@H]2O ZINC000012330248 558385180 /nfs/dbraw/zinc/38/51/80/558385180.db2.gz OVCVEWHEMTXRCE-DNQXCXABSA-N 1 0 423.553 3.958 40 0 HHABRO FC(F)(F)[C@H]1C[C@@H](C2CC[NH+](CCCOc3ccccc3)CC2)Nc2ncnn21 ZINC000012407925 558398896 /nfs/dbraw/zinc/39/88/96/558398896.db2.gz PIWZLLFGVCGMTG-ZWKOTPCHSA-N 1 0 409.456 3.747 40 0 HHABRO CCOc1ccc(NC(=O)OCCN2CC[N@H+](CCc3ccccc3)[C@H](C)C2)cc1 ZINC000022584227 558499997 /nfs/dbraw/zinc/49/99/97/558499997.db2.gz HQNZUJSOBUCFOS-HXUWFJFHSA-N 1 0 411.546 3.883 40 0 HHABRO CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000026780762 558665171 /nfs/dbraw/zinc/66/51/71/558665171.db2.gz NIBXAEFJEFMKAX-HXUWFJFHSA-N 1 0 408.464 3.830 40 0 HHABRO COc1cc(C[NH2+]C(C)C)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000036612789 558727985 /nfs/dbraw/zinc/72/79/85/558727985.db2.gz SEAXIMHYFYVIBZ-UHFFFAOYSA-N 1 0 421.335 3.651 40 0 HHABRO COC(=O)C1=C(C)N(C)C2=[N+](C(=O)C(c3ccccc3)S2)[C@@H]1c1cccc(OC)c1 ZINC000036624794 558800252 /nfs/dbraw/zinc/80/02/52/558800252.db2.gz PVKLGNGJYPJJOK-LJQANCHMSA-O 1 0 423.514 3.903 40 0 HHABRO COC(=O)C1=C(C)N(C)C2=[N+](C(=O)C(c3ccccc3)S2)[C@@H]1c1ccc(OC)cc1 ZINC000036624792 558800294 /nfs/dbraw/zinc/80/02/94/558800294.db2.gz PGOQDICSCPGGOA-LJQANCHMSA-O 1 0 423.514 3.903 40 0 HHABRO CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCCn3ccnc3)cc12 ZINC000036740453 558801678 /nfs/dbraw/zinc/80/16/78/558801678.db2.gz SLMUTQQUKUZSIS-UHFFFAOYSA-N 1 0 422.508 3.527 40 0 HHABRO CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000019020007 558837537 /nfs/dbraw/zinc/83/75/37/558837537.db2.gz VJMOAWYZPUDJCW-YADHBBJMSA-N 1 0 403.542 3.650 40 0 HHABRO Cc1ccccc1OC[C@H]1CCCN(C(=O)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000019237338 558856506 /nfs/dbraw/zinc/85/65/06/558856506.db2.gz AORFESIFKMXUBY-QFIPXVFZSA-N 1 0 421.585 3.962 40 0 HHABRO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@H+](Cc3cccc(OC[C@@H]4CCCO4)c3)C[C@@H]21 ZINC000019237869 558856953 /nfs/dbraw/zinc/85/69/53/558856953.db2.gz YOPIMSVARWYOCN-KUVYTWDVSA-N 1 0 408.542 3.677 40 0 HHABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019333959 558869121 /nfs/dbraw/zinc/86/91/21/558869121.db2.gz APDWSLHLGXIDTD-GOSISDBHSA-N 1 0 406.509 3.986 40 0 HHABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000019456841 558892243 /nfs/dbraw/zinc/89/22/43/558892243.db2.gz ISRXQDNCRAXWGA-XDHUDOTRSA-N 1 0 409.530 3.578 40 0 HHABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCCC4)[nH]c(=O)c3C2)CC1 ZINC000019495981 558894769 /nfs/dbraw/zinc/89/47/69/558894769.db2.gz LAELFFWKGYWQAK-QYGXFBIXSA-N 1 0 412.578 3.973 40 0 HHABRO CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019499871 558898156 /nfs/dbraw/zinc/89/81/56/558898156.db2.gz IISGUXOPNHOGQP-UGZUTAHUSA-N 1 0 400.567 3.829 40 0 HHABRO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@H+](CCc4ccccc4)[C@@H]3C2)cc1OC ZINC000019560549 558921499 /nfs/dbraw/zinc/92/14/99/558921499.db2.gz MYAKPRJNSMKWAN-XZOQPEGZSA-N 1 0 422.569 3.802 40 0 HHABRO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)c4cccc(OC)c4OC)C[C@H]32)c1 ZINC000072330687 558935065 /nfs/dbraw/zinc/93/50/65/558935065.db2.gz OATGKBZYMLUBFK-SIKLNZKXSA-N 1 0 424.541 3.839 40 0 HHABRO COc1cccc(-c2cccc(C[C@@H]3C[N@H+](Cc4cccnc4)CCN(C)C3=O)c2)c1 ZINC000019589527 558940413 /nfs/dbraw/zinc/94/04/13/558940413.db2.gz KJMKAEMRRGUZGW-XMMPIXPASA-N 1 0 415.537 3.890 40 0 HHABRO COc1ncc([C@@]2(O)CCC[C@@H]3C[N@H+](Cc4ccc(C(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000072343003 558940627 /nfs/dbraw/zinc/94/06/27/558940627.db2.gz NDYQBMVSSLLTOF-ZYKOEDHHSA-N 1 0 411.546 3.737 40 0 HHABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000072345942 558942401 /nfs/dbraw/zinc/94/24/01/558942401.db2.gz MQZSXQHLXKXXQN-SFHVURJKSA-N 1 0 421.932 3.858 40 0 HHABRO CNc1cc(C2CC[NH+](Cc3ccc(OC)cc3F)CC2)nc(-c2cnccn2)n1 ZINC000019592353 558943225 /nfs/dbraw/zinc/94/32/25/558943225.db2.gz LLPPCDRDCOMQTD-UHFFFAOYSA-N 1 0 408.481 3.503 40 0 HHABRO COc1ccccc1NC(=O)c1ccc(C2CC[NH+](Cc3ccccn3)CC2)nc1N ZINC000072346297 558943277 /nfs/dbraw/zinc/94/32/77/558943277.db2.gz SFVUYTRZSWPQIQ-UHFFFAOYSA-N 1 0 417.513 3.699 40 0 HHABRO C[NH+](C)[C@@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)c1cccc(Cl)c1 ZINC000019654995 558948390 /nfs/dbraw/zinc/94/83/90/558948390.db2.gz WUZPYOUNDZNMAG-FQEVSTJZSA-N 1 0 404.913 3.946 40 0 HHABRO COc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1Cc1c(C)n[nH]c1C ZINC000019658397 558950495 /nfs/dbraw/zinc/95/04/95/558950495.db2.gz LMYIIGPLMWHDRR-UHFFFAOYSA-N 1 0 405.546 3.733 40 0 HHABRO CC1CCN(c2ncc(C[NH+]3CCC([C@]4(C)CCCCN(C)C4=O)CC3)cn2)CC1 ZINC000072371975 558959315 /nfs/dbraw/zinc/95/93/15/558959315.db2.gz VVNPPMYPIGFOEN-DEOSSOPVSA-N 1 0 413.610 3.574 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 ZINC000019694183 558962560 /nfs/dbraw/zinc/96/25/60/558962560.db2.gz AGZWOUUGVQGDPB-LJQANCHMSA-N 1 0 408.525 3.945 40 0 HHABRO Cc1ncc(C[NH+]2CCC(c3nc(-c4ccccc4)c(C(=O)N(C)C)[nH]3)CC2)s1 ZINC000019698856 558966387 /nfs/dbraw/zinc/96/63/87/558966387.db2.gz RFULUXUGMPTFFI-UHFFFAOYSA-N 1 0 409.559 3.923 40 0 HHABRO Cc1nc([C@H]2CCC[N@@H+](C3CCOCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706626 558968970 /nfs/dbraw/zinc/96/89/70/558968970.db2.gz VCTGOWXLGHTHOE-FQEVSTJZSA-N 1 0 421.589 3.534 40 0 HHABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4cccc(Oc5ncccn5)c4)C[C@H]32)nc1 ZINC000072392569 558972462 /nfs/dbraw/zinc/97/24/62/558972462.db2.gz LYNGVJMJSWPJFI-LEEZEASISA-N 1 0 402.498 3.702 40 0 HHABRO Cc1n[nH]c(C)c1CC(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393396 558972965 /nfs/dbraw/zinc/97/29/65/558972965.db2.gz YRQVILKKMMEKJK-UHFFFAOYSA-N 1 0 414.981 3.925 40 0 HHABRO O=C(COc1cccnc1)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393397 558973028 /nfs/dbraw/zinc/97/30/28/558973028.db2.gz LPRHXWPFSGBLKW-UHFFFAOYSA-N 1 0 413.949 3.816 40 0 HHABRO O=C(CCCn1ccnc1)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1 ZINC000072393513 558973045 /nfs/dbraw/zinc/97/30/45/558973045.db2.gz KNRDCILLXPWEFY-UHFFFAOYSA-N 1 0 412.553 3.895 40 0 HHABRO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]12 ZINC000072395833 558974738 /nfs/dbraw/zinc/97/47/38/558974738.db2.gz QTDLWBGOUDNPMP-BWKNWUBXSA-N 1 0 414.509 3.626 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000072398627 558976226 /nfs/dbraw/zinc/97/62/26/558976226.db2.gz HOILGRASXBMNSQ-CVDCTZTESA-N 1 0 404.489 3.999 40 0 HHABRO Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)c12 ZINC000019716311 558978116 /nfs/dbraw/zinc/97/81/16/558978116.db2.gz GCLKCJSKZBWXQT-UHFFFAOYSA-N 1 0 407.518 3.702 40 0 HHABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](Cc1nc3ccccn3c1C)CC2 ZINC000585099832 559024510 /nfs/dbraw/zinc/02/45/10/559024510.db2.gz DHYXWACPCZUWHZ-XMMPIXPASA-N 1 0 421.545 3.795 40 0 HHABRO Cc1ccc(CC(=O)N2CCC[C@@]3(C2)C[N@H+](C)Cc2c(-c4ccccc4)ncn23)cc1 ZINC000585107267 559027779 /nfs/dbraw/zinc/02/77/79/559027779.db2.gz RZPKXUVAJBLQCA-SANMLTNESA-N 1 0 414.553 3.864 40 0 HHABRO C[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585106945 559029233 /nfs/dbraw/zinc/02/92/33/559029233.db2.gz LUWQZGIVBJAULU-RUZDIDTESA-N 1 0 418.516 3.695 40 0 HHABRO CC[NH+](CC)CCCNC(=O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn21 ZINC000096038003 559091718 /nfs/dbraw/zinc/09/17/18/559091718.db2.gz FFDIKHXCUJQGAT-UHFFFAOYSA-N 1 0 416.529 3.649 40 0 HHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)o1 ZINC000096052805 559092464 /nfs/dbraw/zinc/09/24/64/559092464.db2.gz IXBOVYWEGFQYAN-FQEVSTJZSA-N 1 0 408.542 3.858 40 0 HHABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@@H](CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000096052810 559092491 /nfs/dbraw/zinc/09/24/91/559092491.db2.gz JHSGVQYPGDLFEB-HXUWFJFHSA-N 1 0 423.557 3.561 40 0 HHABRO COc1ccc(CN(C)c2ccc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn32)cc1 ZINC000096146169 559097754 /nfs/dbraw/zinc/09/77/54/559097754.db2.gz QIUFCHNIAOETIH-UHFFFAOYSA-N 1 0 420.557 3.751 40 0 HHABRO C[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn43)n2)CC1 ZINC000096155406 559099669 /nfs/dbraw/zinc/09/96/69/559099669.db2.gz RGATYOLZSVFJND-UHFFFAOYSA-N 1 0 417.488 3.709 40 0 HHABRO CN(C)c1cccc(C(=O)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096220998 559101973 /nfs/dbraw/zinc/10/19/73/559101973.db2.gz YFDXUBDBONWDTJ-HSZRJFAPSA-N 1 0 407.558 3.648 40 0 HHABRO Cc1cc(COc2ccc(C[N@@H+]3C[C@H](O)[C@@H](Oc4cccc(Cl)c4)C3)cc2)no1 ZINC000585269192 559115217 /nfs/dbraw/zinc/11/52/17/559115217.db2.gz ZYMCUALUESJGTM-VXKWHMMOSA-N 1 0 414.889 3.840 40 0 HHABRO COC1(COc2cccc(Cl)c2)CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272344 559117988 /nfs/dbraw/zinc/11/79/88/559117988.db2.gz HUDKHXPNRADDDM-UHFFFAOYSA-N 1 0 420.912 3.655 40 0 HHABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272316 559118101 /nfs/dbraw/zinc/11/81/01/559118101.db2.gz HQBPUSULHDCPRS-QHCPKHFHSA-N 1 0 418.484 3.531 40 0 HHABRO Cc1ccn(CCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)n1 ZINC000585273668 559118414 /nfs/dbraw/zinc/11/84/14/559118414.db2.gz QIRVOMFMNLRHPE-VWLOTQADSA-N 1 0 421.541 3.676 40 0 HHABRO Cc1ccn(CCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)n1 ZINC000585273665 559118419 /nfs/dbraw/zinc/11/84/19/559118419.db2.gz QIRVOMFMNLRHPE-RUZDIDTESA-N 1 0 421.541 3.676 40 0 HHABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2ccccc2)C1 ZINC000585282366 559120076 /nfs/dbraw/zinc/12/00/76/559120076.db2.gz IIMQOIWBJQLPKL-GNKBHMEESA-N 1 0 422.569 3.687 40 0 HHABRO O[C@H]1CC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585287251 559122319 /nfs/dbraw/zinc/12/23/19/559122319.db2.gz LMZYDLLUAVKEGB-MWYJAUPDSA-N 1 0 417.496 3.868 40 0 HHABRO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1OC ZINC000585289550 559122553 /nfs/dbraw/zinc/12/25/53/559122553.db2.gz JQJQECZGDSAPKW-CZTZKLFOSA-N 1 0 405.922 3.850 40 0 HHABRO CC[NH+]1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070462 559272803 /nfs/dbraw/zinc/27/28/03/559272803.db2.gz HKADMSCDXVRMBS-OAQYLSRUSA-N 1 0 420.638 3.675 40 0 HHABRO O=C1CO[C@]2(CN1CCc1ccccc1)CCC[N@H+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000257339497 559283468 /nfs/dbraw/zinc/28/34/68/559283468.db2.gz ZBZOQHDWLRMMFT-AREMUKBSSA-N 1 0 417.553 3.994 40 0 HHABRO COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCC[NH+](C)C)CCOCC2)cc1 ZINC000257225754 559283762 /nfs/dbraw/zinc/28/37/62/559283762.db2.gz FHQCKAHGCMBSTB-UHFFFAOYSA-N 1 0 414.521 3.518 40 0 HHABRO COc1ccccc1-c1cccc(CC2(C(=O)N[C@H]3CCC[N@H+](C)C3)CCOCC2)c1 ZINC000257235468 559284091 /nfs/dbraw/zinc/28/40/91/559284091.db2.gz GXZJPQSYUKUDAT-QFIPXVFZSA-N 1 0 422.569 3.912 40 0 HHABRO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]2O)c1 ZINC000257251945 559284489 /nfs/dbraw/zinc/28/44/89/559284489.db2.gz JSYHWKAXYWUHGF-VXKWHMMOSA-N 1 0 400.906 3.506 40 0 HHABRO COc1ccccc1-c1cccc(C[C@@]2(C(=O)N[C@@H]3CCC[N@H+](C)C3)CCCO2)c1 ZINC000257262818 559284869 /nfs/dbraw/zinc/28/48/69/559284869.db2.gz LNBGYRWAOPEASZ-PXDATVDWSA-N 1 0 408.542 3.664 40 0 HHABRO COc1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000257292533 559285785 /nfs/dbraw/zinc/28/57/85/559285785.db2.gz QLYZHJMZBNLHAZ-OAQYLSRUSA-N 1 0 408.498 3.541 40 0 HHABRO COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000257292532 559285792 /nfs/dbraw/zinc/28/57/92/559285792.db2.gz QLYZHJMZBNLHAZ-NRFANRHFSA-N 1 0 408.498 3.541 40 0 HHABRO COc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000880613 560539700 /nfs/dbraw/zinc/53/97/00/560539700.db2.gz IPIBARGJNCNDEL-UHFFFAOYSA-N 1 0 424.570 3.606 40 0 HHABRO CC[NH+](CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=S)NCC(C)C ZINC000004133639 560600728 /nfs/dbraw/zinc/60/07/28/560600728.db2.gz CXFWXIFTJXJYQV-UHFFFAOYSA-N 1 0 402.608 3.511 40 0 HHABRO CCOCC[NH+]1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)CC1 ZINC000004980765 560623091 /nfs/dbraw/zinc/62/30/91/560623091.db2.gz PYYCXABSBXBBQD-UHFFFAOYSA-N 1 0 423.536 3.573 40 0 HHABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409058979 560670873 /nfs/dbraw/zinc/67/08/73/560670873.db2.gz QAOXGSRSFCRXAI-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO COc1cc(C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)cc2c1OCO2 ZINC000013994240 560831746 /nfs/dbraw/zinc/83/17/46/560831746.db2.gz ONUJRQYWLJMLET-GOSISDBHSA-N 1 0 415.486 3.622 40 0 HHABRO CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019446041 560873068 /nfs/dbraw/zinc/87/30/68/560873068.db2.gz BJJOTOMTWWBPGZ-OAQYLSRUSA-N 1 0 400.546 3.508 40 0 HHABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000005164253 568441904 /nfs/dbraw/zinc/44/19/04/568441904.db2.gz ZVKBSENSURYYII-NHTMILBNSA-N 1 0 400.563 3.812 40 0 HHABRO Cc1nccn1-c1ccccc1CNC(=O)COc1ccc(Br)c(C)c1 ZINC000216187786 568463572 /nfs/dbraw/zinc/46/35/72/568463572.db2.gz YAMZPINMYNLRCV-UHFFFAOYSA-N 1 0 414.303 3.947 40 0 HHABRO COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075725 568474006 /nfs/dbraw/zinc/47/40/06/568474006.db2.gz YBKJBEVLOGPBGQ-AWEZNQCLSA-N 1 0 413.345 3.641 40 0 HHABRO CCCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057671581 568495300 /nfs/dbraw/zinc/49/53/00/568495300.db2.gz WKYHGPLZNPEQOG-FQEVSTJZSA-N 1 0 414.554 3.976 40 0 HHABRO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(C)c2OC)C1 ZINC000057774147 568497281 /nfs/dbraw/zinc/49/72/81/568497281.db2.gz KWNXCXWEGLHDPT-XXBNENTESA-N 1 0 411.546 3.505 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000223234991 568541939 /nfs/dbraw/zinc/54/19/39/568541939.db2.gz OEQGFLKPXZQNNH-YADHBBJMSA-N 1 0 405.571 3.797 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000223236795 568542107 /nfs/dbraw/zinc/54/21/07/568542107.db2.gz NWCWRFPLUCDIAV-FCHUYYIVSA-N 1 0 423.561 3.936 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000223238010 568542163 /nfs/dbraw/zinc/54/21/63/568542163.db2.gz MOHFRMLVHMXSQK-YADHBBJMSA-N 1 0 421.570 3.502 40 0 HHABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1Cl ZINC000224664740 568591372 /nfs/dbraw/zinc/59/13/72/568591372.db2.gz GRZXOHPBLYISQL-UHFFFAOYSA-N 1 0 408.951 3.813 40 0 HHABRO COc1cc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c(OC)cc1Cl ZINC000225232113 568624743 /nfs/dbraw/zinc/62/47/43/568624743.db2.gz JVADECUJAVVYOC-UHFFFAOYSA-N 1 0 420.966 3.703 40 0 HHABRO CC1CC[NH+](CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)CC1 ZINC000225465187 568640468 /nfs/dbraw/zinc/64/04/68/568640468.db2.gz DHMNYSQFGFMBKR-FXBPSFAMSA-N 1 0 411.571 3.757 40 0 HHABRO CNC(=O)c1cc(N)ccc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225487818 568642291 /nfs/dbraw/zinc/64/22/91/568642291.db2.gz NGOZFDNMCUBBFP-UHFFFAOYSA-N 1 0 400.526 3.540 40 0 HHABRO Cc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1N1CCCC1=O ZINC000225731146 568668767 /nfs/dbraw/zinc/66/87/67/568668767.db2.gz PPYSPQAHGNOGBU-CALCHBBNSA-N 1 0 402.608 3.776 40 0 HHABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1C ZINC000225743580 568670522 /nfs/dbraw/zinc/67/05/22/568670522.db2.gz HHOUOIUOWBBJBS-UHFFFAOYSA-N 1 0 411.571 3.907 40 0 HHABRO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901330 568684453 /nfs/dbraw/zinc/68/44/53/568684453.db2.gz FVJPFWLLWVUKIF-HXUWFJFHSA-N 1 0 421.570 3.592 40 0 HHABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000260953211 568745501 /nfs/dbraw/zinc/74/55/01/568745501.db2.gz ZGWDCUDXENNKEL-ZWKOTPCHSA-N 1 0 414.571 3.813 40 0 HHABRO COc1cccc(Cc2cncc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[NH2+]C4)c2)c1 ZINC000257230704 568785148 /nfs/dbraw/zinc/78/51/48/568785148.db2.gz GDMRCQPNUWLGAG-FEVSWUGISA-N 1 0 405.542 3.816 40 0 HHABRO CCc1nccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257241161 568787885 /nfs/dbraw/zinc/78/78/85/568787885.db2.gz HWVOCHOSIRMAKC-CZLVRFMKSA-N 1 0 406.574 3.578 40 0 HHABRO CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)CC1 ZINC000257255653 568791916 /nfs/dbraw/zinc/79/19/16/568791916.db2.gz KIIQLTKZCLAFRA-UHFFFAOYSA-N 1 0 417.579 3.603 40 0 HHABRO NC(=O)c1ccc(-c2cccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257260783 568793026 /nfs/dbraw/zinc/79/30/26/568793026.db2.gz LEIARNKXSXVOGD-RUZDIDTESA-N 1 0 424.504 3.969 40 0 HHABRO CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257261899 568793309 /nfs/dbraw/zinc/79/33/09/568793309.db2.gz LJFVKUHDSAJNAO-GOSISDBHSA-N 1 0 402.564 3.818 40 0 HHABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1n[nH]c2ccccc21 ZINC000257296949 568803630 /nfs/dbraw/zinc/80/36/30/568803630.db2.gz RFDKSDYLWLCHJC-CZLVRFMKSA-N 1 0 400.526 3.919 40 0 HHABRO Cc1nc(CN2CC[C@]3(C[N@H+](C4CCC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306123802 568886874 /nfs/dbraw/zinc/88/68/74/568886874.db2.gz AXHTXKOQMZEGPT-DENIHFKCSA-N 1 0 413.591 3.600 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306126386 568889109 /nfs/dbraw/zinc/88/91/09/568889109.db2.gz DUISSIXGEJATBU-OAQYLSRUSA-N 1 0 415.545 3.937 40 0 HHABRO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306129222 568891799 /nfs/dbraw/zinc/89/17/99/568891799.db2.gz HXUPPDKZTIXUNO-QHCPKHFHSA-N 1 0 407.445 3.593 40 0 HHABRO CC(C)n1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306129506 568891966 /nfs/dbraw/zinc/89/19/66/568891966.db2.gz IFMHYCHXZFJFJT-OAQYLSRUSA-N 1 0 401.518 3.948 40 0 HHABRO COCCN1CC[C@]2(C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130468 568892938 /nfs/dbraw/zinc/89/29/38/568892938.db2.gz JHJDGWCBPRRDAH-RCZVLFRGSA-N 1 0 424.589 3.545 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccc(OC)cc4)cnc2CO3)cc1 ZINC000306134184 568896119 /nfs/dbraw/zinc/89/61/19/568896119.db2.gz NFHLWUGJROZSOP-XMMPIXPASA-N 1 0 405.498 3.742 40 0 HHABRO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000306134478 568896535 /nfs/dbraw/zinc/89/65/35/568896535.db2.gz NOYODNDISOLXIU-RRVLBIQBSA-N 1 0 423.601 3.737 40 0 HHABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(F)cc4)CC2)CN(C)C3)cc1 ZINC000306135434 568897163 /nfs/dbraw/zinc/89/71/63/568897163.db2.gz OQMQACZSVDEPOW-UHFFFAOYSA-N 1 0 421.520 3.530 40 0 HHABRO COc1ccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)cc1 ZINC000306136141 568897901 /nfs/dbraw/zinc/89/79/01/568897901.db2.gz PKMQQOVKSXEHAO-UHFFFAOYSA-N 1 0 421.520 3.530 40 0 HHABRO COc1ccccc1C[N@@H+]1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136583 568898486 /nfs/dbraw/zinc/89/84/86/568898486.db2.gz PXNVXXBFUVDWLA-BWKNWUBXSA-N 1 0 422.573 3.701 40 0 HHABRO CC(C)N1CC2(CC[NH+](Cc3ccsc3)CC2)COc2ccccc2S1(=O)=O ZINC000306139050 568900782 /nfs/dbraw/zinc/90/07/82/568900782.db2.gz SOASXDHVXJUVSA-UHFFFAOYSA-N 1 0 420.600 3.822 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)cc1 ZINC000306142641 568904189 /nfs/dbraw/zinc/90/41/89/568904189.db2.gz XFKHANSNBGKSCT-GOTSBHOMSA-N 1 0 405.473 3.717 40 0 HHABRO C[NH+]1CCC(n2ncc3c2-c2ccccc2OC32CCN(C(=O)CC3CC3)CC2)CC1 ZINC000306143791 568905169 /nfs/dbraw/zinc/90/51/69/568905169.db2.gz YMJNGJYMPGFQQE-UHFFFAOYSA-N 1 0 420.557 3.827 40 0 HHABRO COc1ccccc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144037 568905299 /nfs/dbraw/zinc/90/52/99/568905299.db2.gz YTZGROZNZXNVHI-VXKWHMMOSA-N 1 0 405.473 3.717 40 0 HHABRO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)[nH+]c(C(C)C)n1)CC2 ZINC000329023881 568973331 /nfs/dbraw/zinc/97/33/31/568973331.db2.gz OVUDABGGMAOSOO-SFHVURJKSA-N 1 0 414.550 3.609 40 0 HHABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2N)CC1 ZINC000226263917 569278970 /nfs/dbraw/zinc/27/89/70/569278970.db2.gz SVNXLIMWQCEYKR-UHFFFAOYSA-N 1 0 423.344 3.978 40 0 HHABRO CCOc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)O[C@@H](C)C2 ZINC000012135200 569344629 /nfs/dbraw/zinc/34/46/29/569344629.db2.gz SLQLSONPABPDES-UOJYLLJXSA-N 1 0 408.542 3.923 40 0 HHABRO CC(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)ccc21 ZINC000019235127 569345270 /nfs/dbraw/zinc/34/52/70/569345270.db2.gz OWRKYZZCMGGWSI-KBMIEXCESA-N 1 0 407.558 3.538 40 0 HHABRO CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)[N@@H+]2CCCC[C@@H]2C)n1C ZINC000019496312 569345534 /nfs/dbraw/zinc/34/55/34/569345534.db2.gz HBZOVRZEMGDEEB-YTQUADARSA-N 1 0 413.591 3.816 40 0 HHABRO O=C(c1sc2ncccc2c1[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000019702036 569347340 /nfs/dbraw/zinc/34/73/40/569347340.db2.gz KHFFRJUUVAWDFB-IBGZPJMESA-N 1 0 421.566 3.801 40 0 HHABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CC[N@H+](Cc2cnc(C)s2)C1 ZINC000019703582 569347581 /nfs/dbraw/zinc/34/75/81/569347581.db2.gz ADNVGRIJMORDNE-JOCHJYFZSA-N 1 0 410.543 3.596 40 0 HHABRO CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3C)cc1Cn1cccn1 ZINC000019713161 569348400 /nfs/dbraw/zinc/34/84/00/569348400.db2.gz RQDMYQDXTOOXRY-FCHUYYIVSA-N 1 0 410.562 3.694 40 0 HHABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3ccccc3c2)CC1 ZINC000033654324 569350917 /nfs/dbraw/zinc/35/09/17/569350917.db2.gz DKORPMRETXFBQM-UHFFFAOYSA-N 1 0 404.539 3.718 40 0 HHABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000109029524 569353796 /nfs/dbraw/zinc/35/37/96/569353796.db2.gz GJIYKTMJRORGPO-UHFFFAOYSA-N 1 0 423.369 3.872 40 0 HHABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000020503647 575370173 /nfs/dbraw/zinc/37/01/73/575370173.db2.gz RMMYDTWSPAFUIM-AZUAARDMSA-N 1 0 417.484 3.859 40 0 biogenic,in-vitro HHABRO Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)[NH2+][C@H](C(=O)NC2CC2)C3)no1 ZINC000049171904 291256831 /nfs/dbraw/zinc/25/68/31/291256831.db2.gz JDHPDABPTRAOST-SFTDATJTSA-N 1 0 406.530 3.866 40 0 biogenic,in-vitro HHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000044851740 523934487 /nfs/dbraw/zinc/93/44/87/523934487.db2.gz XLNVKPMXJPNSCP-UHFFFAOYSA-N 1 0 410.558 3.973 40 0 HHABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857164 525324038 /nfs/dbraw/zinc/32/40/38/525324038.db2.gz XRYQCUADEOIDAJ-GOSISDBHSA-N 1 0 414.571 3.813 40 0 HHABRO Cc1cccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3F)c(=O)[nH]c12 ZINC000035312827 557688532 /nfs/dbraw/zinc/68/85/32/557688532.db2.gz POSIKJOGAVYICH-UHFFFAOYSA-N 1 0 410.493 3.961 40 0 HHABRO COc1c(Cl)cc(Cl)cc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000007540294 557746196 /nfs/dbraw/zinc/74/61/96/557746196.db2.gz WNZCLHJBDLHHJZ-UHFFFAOYSA-N 1 0 410.330 3.860 40 0 HHABRO Cc1nc([C@@H]2CC[N@@H+](C3CCOCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753168 558272307 /nfs/dbraw/zinc/27/23/07/558272307.db2.gz ZLNNJQQCWMSVBA-OAHLLOKOSA-N 1 0 400.910 3.659 40 0 HHABRO COc1ccccc1CNC(=O)c1cn(C)nc1CC1CC[NH+](C2CCCC2)CC1 ZINC000019754125 558273501 /nfs/dbraw/zinc/27/35/01/558273501.db2.gz GBWFNXYUJLXRMZ-UHFFFAOYSA-N 1 0 410.562 3.556 40 0 HHABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000019758966 558275271 /nfs/dbraw/zinc/27/52/71/558275271.db2.gz UWWAYYRJJKYUGW-UHFFFAOYSA-N 1 0 419.529 3.531 40 0 HHABRO COc1ccc(NC(=O)c2cnc(C3CC[NH+](Cc4ccccn4)CC3)nc2C)cc1 ZINC000019763780 558277644 /nfs/dbraw/zinc/27/76/44/558277644.db2.gz SGJUSFRKUUUADY-UHFFFAOYSA-N 1 0 417.513 3.821 40 0 HHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000020050401 558328506 /nfs/dbraw/zinc/32/85/06/558328506.db2.gz IZODGBJFWBHWHR-UHFFFAOYSA-N 1 0 409.939 3.806 40 0 HHABRO COc1ccc(C[NH+]2CCC(O)(Cn3ccc4nc(Cl)ccc43)CC2)cc1OC ZINC000012163174 558341980 /nfs/dbraw/zinc/34/19/80/558341980.db2.gz LNFCAEXPVYDYHP-UHFFFAOYSA-N 1 0 415.921 3.734 40 0 HHABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020451514 558365810 /nfs/dbraw/zinc/36/58/10/558365810.db2.gz QZYSBXJYAWYHHH-INIZCTEOSA-N 1 0 424.497 3.744 40 0 HHABRO COc1ccc2[nH]c(C)c([C@H](O)C[NH+]3CCC4(CC3)C[C@@H](O)c3ccccc3O4)c2c1 ZINC000012329188 558383752 /nfs/dbraw/zinc/38/37/52/558383752.db2.gz UBGJGDAUHGIRSY-FGZHOGPDSA-N 1 0 422.525 3.869 40 0 HHABRO COc1ccc2[nH]c(C)c([C@@H](O)C[NH+]3CCC4(CC3)C[C@H](O)c3ccccc3O4)c2c1 ZINC000012329191 558383760 /nfs/dbraw/zinc/38/37/60/558383760.db2.gz UBGJGDAUHGIRSY-VXKWHMMOSA-N 1 0 422.525 3.869 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3c[nH]c4cc(C)ccc43)CC1)C[C@H]2O ZINC000012329701 558384562 /nfs/dbraw/zinc/38/45/62/558384562.db2.gz NBQFGPXMSLARDR-DHIUTWEWSA-N 1 0 422.525 3.869 40 0 HHABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c1 ZINC000012330057 558384803 /nfs/dbraw/zinc/38/48/03/558384803.db2.gz DYLPIXXLTYEVHB-WOJBJXKFSA-N 1 0 403.906 3.733 40 0 HHABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330259 558385139 /nfs/dbraw/zinc/38/51/39/558385139.db2.gz FBDGYPQGWAGPQE-RPWUZVMVSA-N 1 0 423.553 3.958 40 0 HHABRO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000023133886 558537293 /nfs/dbraw/zinc/53/72/93/558537293.db2.gz WPCAHQHSERIFCG-OAHLLOKOSA-N 1 0 418.335 3.607 40 0 HHABRO OCC[NH2+]CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000023255802 558546298 /nfs/dbraw/zinc/54/62/98/558546298.db2.gz SWGMOMNQRQBNHA-UHFFFAOYSA-N 1 0 403.737 3.897 40 0 HHABRO O=C(NC(=S)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccccc1F ZINC000034387048 558773700 /nfs/dbraw/zinc/77/37/00/558773700.db2.gz YONBWECGLWKSGA-XWDORNJCSA-N 1 0 413.562 3.735 40 0 HHABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850741 558818846 /nfs/dbraw/zinc/81/88/46/558818846.db2.gz ZHGOXBOKEJTHOV-QFIPXVFZSA-N 1 0 411.977 3.896 40 0 HHABRO CN(c1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1)S(C)(=O)=O ZINC000038856617 558819405 /nfs/dbraw/zinc/81/94/05/558819405.db2.gz NXHDUCBDOKJKFQ-UHFFFAOYSA-N 1 0 415.559 3.711 40 0 HHABRO Cc1cc(-c2cn[nH]c2C2CCN(C(=O)c3cc(C)oc3C[NH+]3CCCC3)CC2)on1 ZINC000019121588 558843203 /nfs/dbraw/zinc/84/32/03/558843203.db2.gz DRMWDNLHNORVMG-UHFFFAOYSA-N 1 0 423.517 3.890 40 0 HHABRO Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)on1 ZINC000019122222 558843585 /nfs/dbraw/zinc/84/35/85/558843585.db2.gz XBJVCRVYOSMYPP-SFHVURJKSA-N 1 0 404.518 3.815 40 0 HHABRO Cc1ccc(C(=O)N2CCC(c3[nH+]c4ccccn4c3NC(C)(C)C)CC2)c(=O)[nH]1 ZINC000019131405 558845532 /nfs/dbraw/zinc/84/55/32/558845532.db2.gz KKFLSFYEDHKCLR-UHFFFAOYSA-N 1 0 407.518 3.561 40 0 HHABRO Cc1ccc(CC(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)cc1 ZINC000019209977 558848152 /nfs/dbraw/zinc/84/81/52/558848152.db2.gz DSYQFYWKCQQYDQ-UHFFFAOYSA-N 1 0 420.532 3.858 40 0 HHABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@H+](Cc4ccccn4)C3)on2)cc1 ZINC000019212270 558848748 /nfs/dbraw/zinc/84/87/48/558848748.db2.gz GKPRDTWFISOCDG-VWLOTQADSA-N 1 0 418.541 3.958 40 0 HHABRO Cc1cccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019235179 558854297 /nfs/dbraw/zinc/85/42/97/558854297.db2.gz GYUFOJBAJNZGQW-YTQUADARSA-N 1 0 405.493 3.758 40 0 HHABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019236851 558856045 /nfs/dbraw/zinc/85/60/45/558856045.db2.gz AHTVFMABRZJUCG-REWPJTCUSA-N 1 0 403.530 3.507 40 0 HHABRO O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]21 ZINC000019336206 558870003 /nfs/dbraw/zinc/87/00/03/558870003.db2.gz ZKSKQFRUWCVVTC-HJOGWXRNSA-N 1 0 416.500 3.746 40 0 HHABRO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCN3CCOCC3)n2)cc1 ZINC000019336962 558870421 /nfs/dbraw/zinc/87/04/21/558870421.db2.gz HVUSYOZBKLKNTM-GOSISDBHSA-N 1 0 424.467 3.832 40 0 HHABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019370396 558878692 /nfs/dbraw/zinc/87/86/92/558878692.db2.gz IKGONPDUUWLZKG-WIOPSUGQSA-N 1 0 400.526 3.789 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000019371254 558879201 /nfs/dbraw/zinc/87/92/01/558879201.db2.gz LUHUQWDWAAADJF-URXFXBBRSA-N 1 0 400.526 3.902 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400436 558883089 /nfs/dbraw/zinc/88/30/89/558883089.db2.gz KJUIGHUOUUAGGZ-REWPJTCUSA-N 1 0 409.505 3.751 40 0 HHABRO C[C@@H](C[NH+](C)C)Nc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019455933 558891848 /nfs/dbraw/zinc/89/18/48/558891848.db2.gz WYPJNLCHGCWSPM-KRWDZBQOSA-N 1 0 420.536 3.598 40 0 HHABRO CC1(C)CC(N(Cc2ccccn2)Cc2ccnc(N3CCCC3)n2)CC(C)(C)[NH2+]1 ZINC000019461031 558893500 /nfs/dbraw/zinc/89/35/00/558893500.db2.gz PNTLQDNBLWREEK-UHFFFAOYSA-N 1 0 408.594 3.783 40 0 HHABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc4cc(OC)ccc4n3)C2)no1 ZINC000019503695 558900855 /nfs/dbraw/zinc/90/08/55/558900855.db2.gz NYORPSPDYAFIJV-QGZVFWFLSA-N 1 0 408.502 3.751 40 0 HHABRO CCN1CC[N@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527404 558908566 /nfs/dbraw/zinc/90/85/66/558908566.db2.gz UHOJVXILSZSOQW-XMMPIXPASA-N 1 0 400.526 3.667 40 0 HHABRO COc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000019563112 558923530 /nfs/dbraw/zinc/92/35/30/558923530.db2.gz NRPMOWKOMQUZTR-YADHBBJMSA-N 1 0 408.498 3.561 40 0 HHABRO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000072330771 558935177 /nfs/dbraw/zinc/93/51/77/558935177.db2.gz WRCBTIFPQOLMCF-CYFREDJKSA-N 1 0 411.546 3.505 40 0 HHABRO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccn2)C1 ZINC000019580452 558936063 /nfs/dbraw/zinc/93/60/63/558936063.db2.gz ZUZBIIKNSPISHP-RUZDIDTESA-N 1 0 400.526 3.667 40 0 HHABRO COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C[NH+]3CCCC3)c(C)o2)cc1 ZINC000019582505 558937647 /nfs/dbraw/zinc/93/76/47/558937647.db2.gz BKBHCZNNTXCDJL-QHCPKHFHSA-N 1 0 420.513 3.703 40 0 HHABRO COc1ccc2[nH]c(C[NH+]3CCC(c4cc(N)n5nc(C)cc5n4)CC3)c(C)c2c1 ZINC000072337311 558937924 /nfs/dbraw/zinc/93/79/24/558937924.db2.gz ZMDCORLREJZCBD-UHFFFAOYSA-N 1 0 404.518 3.798 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584447 558938390 /nfs/dbraw/zinc/93/83/90/558938390.db2.gz UBJRTOBSXXYWCO-FQEVSTJZSA-N 1 0 403.530 3.993 40 0 HHABRO C[C@H](C[NH+](C)C)Nc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072340127 558938789 /nfs/dbraw/zinc/93/87/89/558938789.db2.gz CQLGYNHFBWCWAS-QGZVFWFLSA-N 1 0 420.536 3.598 40 0 HHABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000072346069 558942614 /nfs/dbraw/zinc/94/26/14/558942614.db2.gz LXKGIXYLTGEDRT-OAQYLSRUSA-N 1 0 415.541 3.637 40 0 HHABRO CC(=O)NCC1CCC(c2c3ccccc3sc2C(=O)N(C)CC[NH+](C)C)CC1 ZINC000072348373 558945511 /nfs/dbraw/zinc/94/55/11/558945511.db2.gz FIMGWZSYROCIJX-UHFFFAOYSA-N 1 0 415.603 3.945 40 0 HHABRO COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)n2)c1 ZINC000072350401 558947450 /nfs/dbraw/zinc/94/74/50/558947450.db2.gz ORALVAHBQPZTEB-OAQYLSRUSA-N 1 0 407.558 3.729 40 0 HHABRO Cc1cc(NCCNC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc2[nH+]1 ZINC000019654793 558948198 /nfs/dbraw/zinc/94/81/98/558948198.db2.gz RKJOTCUYPUMPAS-UHFFFAOYSA-N 1 0 407.489 3.959 40 0 HHABRO CCn1cc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)cn1 ZINC000072352192 558948304 /nfs/dbraw/zinc/94/83/04/558948304.db2.gz XEPNYYFFYDMPDB-SFHVURJKSA-N 1 0 424.570 3.580 40 0 HHABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+]2CCc2ccc(Cl)cc2)c1 ZINC000072354736 558952037 /nfs/dbraw/zinc/95/20/37/558952037.db2.gz JWIDEADLAICFLD-FQEVSTJZSA-N 1 0 421.932 3.858 40 0 HHABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1Cc1cccnc1N(C)C ZINC000072370313 558956787 /nfs/dbraw/zinc/95/67/87/558956787.db2.gz ZKXNQXKSIKYVLJ-KRWDZBQOSA-N 1 0 408.571 3.929 40 0 HHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000019688561 558958098 /nfs/dbraw/zinc/95/80/98/558958098.db2.gz FSBHEUQYLAWZEW-GOSISDBHSA-N 1 0 401.501 3.998 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)cn1 ZINC000019689802 558959181 /nfs/dbraw/zinc/95/91/81/558959181.db2.gz GQASPPLMWUNYNO-NRFANRHFSA-N 1 0 406.534 3.772 40 0 HHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000019690431 558959835 /nfs/dbraw/zinc/95/98/35/558959835.db2.gz UUHLLZXUBNMONU-JOCHJYFZSA-N 1 0 415.541 3.688 40 0 HHABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2CC(=O)N(C)C2CCCCC2)[nH+]1 ZINC000072372490 558959929 /nfs/dbraw/zinc/95/99/29/558959929.db2.gz VXRVAPHPEGSZFY-NRFANRHFSA-N 1 0 408.550 3.852 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000072373012 558960787 /nfs/dbraw/zinc/96/07/87/558960787.db2.gz QUCPNANEXSEAES-NBGIEHNGSA-N 1 0 424.541 3.726 40 0 HHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019694104 558962319 /nfs/dbraw/zinc/96/23/19/558962319.db2.gz DVUFJNSSIARYGF-SFHVURJKSA-N 1 0 408.525 3.770 40 0 HHABRO Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000072374777 558962744 /nfs/dbraw/zinc/96/27/44/558962744.db2.gz HNFGVJWSKXISCV-OAQYLSRUSA-N 1 0 405.521 3.965 40 0 HHABRO COc1cccc(CN2CC=CC[C@@H](C3CC[NH+](Cc4cnn(C)c4C)CC3)C2=O)c1 ZINC000019698502 558966160 /nfs/dbraw/zinc/96/61/60/558966160.db2.gz JXEBNXYOTQLQHC-DEOSSOPVSA-N 1 0 422.573 3.554 40 0 HHABRO COc1cccc(CN2CC=CC[C@H](C3CC[NH+](Cc4cnn(C)c4C)CC3)C2=O)c1 ZINC000019698503 558966193 /nfs/dbraw/zinc/96/61/93/558966193.db2.gz JXEBNXYOTQLQHC-XMMPIXPASA-N 1 0 422.573 3.554 40 0 HHABRO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(C)CCC3)C1 ZINC000019707034 558969220 /nfs/dbraw/zinc/96/92/20/558969220.db2.gz PCRVWICQLBLPKI-LJQANCHMSA-N 1 0 404.562 3.812 40 0 HHABRO CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@H+](C)CCc2ccccn2)C1 ZINC000072389824 558970257 /nfs/dbraw/zinc/97/02/57/558970257.db2.gz MKJCXKUZHXLBPW-GOSISDBHSA-N 1 0 405.546 3.748 40 0 HHABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]3c3ccc(C(=O)N4CCOCC4)cn3)ccc2O1 ZINC000019708754 558971188 /nfs/dbraw/zinc/97/11/88/558971188.db2.gz QOUJKLDDNDZBTG-QFIPXVFZSA-N 1 0 421.541 3.605 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 ZINC000072391332 558971373 /nfs/dbraw/zinc/97/13/73/558971373.db2.gz RKPXXPBKAUEWLC-FQEVSTJZSA-N 1 0 403.530 3.993 40 0 HHABRO Cc1nc(C)n(C[C@H](C)C(=O)NC2CC[NH+](CC3(c4ccccc4)CCCC3)CC2)n1 ZINC000072393424 558972986 /nfs/dbraw/zinc/97/29/86/558972986.db2.gz SXRKADDFZKAIEA-IBGZPJMESA-N 1 0 423.605 3.624 40 0 HHABRO COc1ccccc1OCCN1CC[NH+](Cc2c3cccnc3[nH]c2C2CC2)CC1 ZINC000072393726 558973279 /nfs/dbraw/zinc/97/32/79/558973279.db2.gz WWDXHHWJMIDJLH-UHFFFAOYSA-N 1 0 406.530 3.646 40 0 HHABRO COc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c1 ZINC000072395308 558974069 /nfs/dbraw/zinc/97/40/69/558974069.db2.gz QVTINLBUXJPXET-UTSGNWPNSA-N 1 0 404.514 3.518 40 0 HHABRO Cc1c(-c2cc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c3ccccc3n2)cnn1C ZINC000019716493 558978511 /nfs/dbraw/zinc/97/85/11/558978511.db2.gz CTNJRNXJWHNXCO-UHFFFAOYSA-N 1 0 405.546 3.938 40 0 HHABRO O=S(=O)(c1ccc(F)cc1)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096046626 559091892 /nfs/dbraw/zinc/09/18/92/559091892.db2.gz TYYJYVHHKMNQND-UHFFFAOYSA-N 1 0 406.498 3.642 40 0 HHABRO COCCNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053367 559093335 /nfs/dbraw/zinc/09/33/35/559093335.db2.gz OTHXISAPZWYYDT-LJQANCHMSA-N 1 0 414.571 3.802 40 0 HHABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053466 559093394 /nfs/dbraw/zinc/09/33/94/559093394.db2.gz IPNQTFUDYADXTG-HXUWFJFHSA-N 1 0 410.562 3.580 40 0 HHABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)Nc1ccccc1)CC3 ZINC000096143897 559096255 /nfs/dbraw/zinc/09/62/55/559096255.db2.gz QKBDIVXFJZCOLQ-SQJMNOBHSA-N 1 0 424.589 3.655 40 0 HHABRO O=S(=O)(Cc1ccccc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccccc2F)C1 ZINC000096214617 559101681 /nfs/dbraw/zinc/10/16/81/559101681.db2.gz WZDXZVNGDAHXAB-JOCHJYFZSA-N 1 0 402.535 3.786 40 0 HHABRO COc1cccc(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)c1 ZINC000096215644 559101783 /nfs/dbraw/zinc/10/17/83/559101783.db2.gz SUSOXKBMULWELJ-VWLOTQADSA-N 1 0 408.542 3.761 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 ZINC000096215615 559101863 /nfs/dbraw/zinc/10/18/63/559101863.db2.gz HRZDHQNJUVTHHY-JOCHJYFZSA-N 1 0 418.534 3.511 40 0 HHABRO Cc1cccc(C[NH+]2CCC3(CC2)CN(C(=O)c2ccc[nH]2)Cc2ccccc23)n1 ZINC000096242612 559104234 /nfs/dbraw/zinc/10/42/34/559104234.db2.gz XAYJAFZOELMFBH-UHFFFAOYSA-N 1 0 400.526 3.908 40 0 HHABRO Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)cn1 ZINC000096267530 559108202 /nfs/dbraw/zinc/10/82/02/559108202.db2.gz SKEQOPSNJNNDDP-LJQANCHMSA-N 1 0 412.497 3.675 40 0 HHABRO CSCC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000585261640 559108989 /nfs/dbraw/zinc/10/89/89/559108989.db2.gz VKAFAOXOFHXYFT-GSFBZFRISA-N 1 0 418.603 3.541 40 0 HHABRO C[C@]12C[C@@H](Cc3ccccc3)[N@H+](CC(=O)Nc3ccc(F)cc3)[C@H]1CCCC(=O)N2 ZINC000585261723 559109323 /nfs/dbraw/zinc/10/93/23/559109323.db2.gz BUAIMCSWWCQBFK-DPLHUUCSSA-N 1 0 409.505 3.509 40 0 HHABRO O=C1CO[C@]2(CN1CCc1ccccc1)CCC[N@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000585261806 559109473 /nfs/dbraw/zinc/10/94/73/559109473.db2.gz PRNUHGOBHXHCBV-AREMUKBSSA-N 1 0 417.553 3.994 40 0 HHABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000585289746 559122560 /nfs/dbraw/zinc/12/25/60/559122560.db2.gz NAIYJIGRWRKPEG-YTFSRNRJSA-N 1 0 418.940 3.958 40 0 HHABRO Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)c2)n1 ZINC000585292133 559124642 /nfs/dbraw/zinc/12/46/42/559124642.db2.gz WVWFNWWFSGWKGF-SQUSKLHYSA-N 1 0 416.529 3.990 40 0 HHABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)[nH+]1 ZINC000585292903 559126141 /nfs/dbraw/zinc/12/61/41/559126141.db2.gz UGHDEGCHSJFOIG-CSHXORCISA-N 1 0 416.529 3.990 40 0 HHABRO C1=N/CC[NH2+]CC/N=C\c2ccccc2OCc2cccc(n2)COc2ccccc2/1 ZINC000102964156 559153933 /nfs/dbraw/zinc/15/39/33/559153933.db2.gz CPUMPYHWJQXHHV-UKNVNEPJSA-N 1 0 414.509 3.681 40 0 HHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107798276 559166031 /nfs/dbraw/zinc/16/60/31/559166031.db2.gz PJEDUDSGQOSVRV-XUZZJYLKSA-N 1 0 423.988 3.690 40 0 HHABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccc(C)cc3)cc2c1 ZINC000000880679 560539651 /nfs/dbraw/zinc/53/96/51/560539651.db2.gz PDRNRVIPKHHSEH-UHFFFAOYSA-N 1 0 424.570 3.606 40 0 HHABRO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+]2CCCC2)c2cccc3ccccc32)cc1 ZINC000000895789 560543738 /nfs/dbraw/zinc/54/37/38/560543738.db2.gz NHRFXQSQARCIKK-OAQYLSRUSA-N 1 0 424.566 3.800 40 0 HHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1C ZINC000004133491 560600527 /nfs/dbraw/zinc/60/05/27/560600527.db2.gz WZECXNZFYSNQTQ-UHFFFAOYSA-N 1 0 422.598 3.583 40 0 HHABRO CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@@H+]1CC ZINC000004217027 560604102 /nfs/dbraw/zinc/60/41/02/560604102.db2.gz QWEDBBDPBOVKBG-FQEVSTJZSA-N 1 0 414.619 3.716 40 0 HHABRO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCN(c2ccccc2)CC1 ZINC000004858894 560612575 /nfs/dbraw/zinc/61/25/75/560612575.db2.gz FAAJTHGBRGKIDN-UHFFFAOYSA-N 1 0 420.582 3.825 40 0 HHABRO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCCCC1)C2)NCc1ccc(F)cc1 ZINC000004908199 560617846 /nfs/dbraw/zinc/61/78/46/560617846.db2.gz UHJHLZCARMDRLI-FRIKZZABSA-N 1 0 415.553 3.524 40 0 HHABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409058980 560670891 /nfs/dbraw/zinc/67/08/91/560670891.db2.gz QAOXGSRSFCRXAI-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409074632 560672871 /nfs/dbraw/zinc/67/28/71/560672871.db2.gz WBZMNZXRKMTDHB-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000002334920 560731011 /nfs/dbraw/zinc/73/10/11/560731011.db2.gz NGPOPXUDQVDUCX-UHFFFAOYSA-N 1 0 423.369 3.872 40 0 HHABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075118 568473941 /nfs/dbraw/zinc/47/39/41/568473941.db2.gz MXUHOXLQDMJTRC-CQSZACIVSA-N 1 0 413.345 3.641 40 0 HHABRO COc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4C)CC3)n2)c1 ZINC000219405208 568491294 /nfs/dbraw/zinc/49/12/94/568491294.db2.gz RHRPRTMASRLWSV-UHFFFAOYSA-N 1 0 420.513 3.582 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000223278323 568543744 /nfs/dbraw/zinc/54/37/44/568543744.db2.gz CGEKLCCIYNRTRZ-RTWAWAEBSA-N 1 0 409.534 3.546 40 0 HHABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1cccnc1 ZINC000223451657 568549272 /nfs/dbraw/zinc/54/92/72/568549272.db2.gz NVPYJXZLAZMMIT-FCHUYYIVSA-N 1 0 412.522 3.835 40 0 HHABRO O=C(c1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1)N1CCCCC1 ZINC000225401434 568634457 /nfs/dbraw/zinc/63/44/57/568634457.db2.gz INXVHGBMEHXKBJ-UHFFFAOYSA-N 1 0 402.608 3.865 40 0 HHABRO COc1ccc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1C ZINC000225668812 568662328 /nfs/dbraw/zinc/66/23/28/568662328.db2.gz DPPOHYLXEYFHRF-UHFFFAOYSA-N 1 0 404.532 3.586 40 0 HHABRO O=C(Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1)N1CCCC1 ZINC000225901764 568684737 /nfs/dbraw/zinc/68/47/37/568684737.db2.gz MPOKYSZYCIWTNQ-QFIPXVFZSA-N 1 0 405.542 3.702 40 0 HHABRO O=C(Nc1cc(CCC2CC[NH+](Cc3ccncc3)CC2)ccn1)c1ccccn1 ZINC000257211977 568779519 /nfs/dbraw/zinc/77/95/19/568779519.db2.gz CBJOUOCNIZVOPC-UHFFFAOYSA-N 1 0 401.514 3.969 40 0 HHABRO O=C(NCC[NH+]1CCCCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257219603 568781834 /nfs/dbraw/zinc/78/18/34/568781834.db2.gz DHJVPJFWKUZUIP-UHFFFAOYSA-N 1 0 407.558 3.690 40 0 HHABRO CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)[nH+]2)C1 ZINC000257219740 568781853 /nfs/dbraw/zinc/78/18/53/568781853.db2.gz DHYZESIJVQJYBP-MRXNPFEDSA-N 1 0 423.608 3.583 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c(C)c1C ZINC000257264311 568794057 /nfs/dbraw/zinc/79/40/57/568794057.db2.gz LTVNMNRMLSCTGJ-OAQYLSRUSA-N 1 0 424.589 3.775 40 0 HHABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(S(=O)(=O)N4CCCC4)C3)c2)cc1 ZINC000257289594 568801220 /nfs/dbraw/zinc/80/12/20/568801220.db2.gz PZIPMXBCVAICKD-GOSISDBHSA-N 1 0 400.548 3.572 40 0 HHABRO Cc1noc(CCC(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)n1 ZINC000257304527 568805970 /nfs/dbraw/zinc/80/59/70/568805970.db2.gz SMBIUYZYLYDNRD-DPLHUUCSSA-N 1 0 410.562 3.787 40 0 HHABRO CC[N@@H+]1CC[C@H](CNC(=O)C2(Cc3cccc(-c4cccnc4)c3)CCOCC2)C1 ZINC000257305985 568806308 /nfs/dbraw/zinc/80/63/08/568806308.db2.gz SSJAJUCTPUDIMH-OAQYLSRUSA-N 1 0 407.558 3.546 40 0 HHABRO O=C(C[NH+]1CCCC1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000257322047 568811086 /nfs/dbraw/zinc/81/10/86/568811086.db2.gz WEJSQPDNZJOPRP-GHTZIAJQSA-N 1 0 404.938 3.657 40 0 HHABRO c1cc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306125660 568888405 /nfs/dbraw/zinc/88/84/05/568888405.db2.gz CXFGWGXFCBCPDN-FQEVSTJZSA-N 1 0 413.481 3.900 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4sccc4C)C[C@@H]32)cc1 ZINC000306126313 568889198 /nfs/dbraw/zinc/88/91/98/568889198.db2.gz DSHYZWBZAJXILH-RTWAWAEBSA-N 1 0 407.539 3.948 40 0 HHABRO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306128336 568891118 /nfs/dbraw/zinc/89/11/18/568891118.db2.gz GXOXYEBFXGKTGK-DEOSSOPVSA-N 1 0 403.482 3.762 40 0 HHABRO COCCN1CC[C@@]2(C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130469 568892849 /nfs/dbraw/zinc/89/28/49/568892849.db2.gz JHJDGWCBPRRDAH-RDGATRHJSA-N 1 0 424.589 3.545 40 0 HHABRO Cc1nc2c(n1C(C)C)CN(C(=O)c1ccncc1)CC21CC[NH+](CC(C)C)CC1 ZINC000306130435 568892858 /nfs/dbraw/zinc/89/28/58/568892858.db2.gz JGGKJYVWHUJHCP-UHFFFAOYSA-N 1 0 409.578 3.813 40 0 HHABRO COc1ncccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306131515 568893552 /nfs/dbraw/zinc/89/35/52/568893552.db2.gz KHFBAYRNLYXHHV-LJQANCHMSA-N 1 0 400.486 3.575 40 0 HHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306131373 568893644 /nfs/dbraw/zinc/89/36/44/568893644.db2.gz KCUFCLVHQPOPAK-GBXCKJPGSA-N 1 0 410.537 3.831 40 0 HHABRO c1[nH]nc(-c2ccccc2)c1CN1CCO[C@@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306131951 568894259 /nfs/dbraw/zinc/89/42/59/568894259.db2.gz KTSYEJGMZKFOCG-ZCYQVOJMSA-N 1 0 417.557 3.775 40 0 HHABRO c1cncc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306134612 568896605 /nfs/dbraw/zinc/89/66/05/568896605.db2.gz NTMPLAMSDFSABU-HXUWFJFHSA-N 1 0 413.481 3.900 40 0 HHABRO COc1ccc(C[NH+]2CCC3(CCn4c3nnc(-c3ccc(C)cc3)c4=O)CC2)cc1 ZINC000306136102 568897867 /nfs/dbraw/zinc/89/78/67/568897867.db2.gz PJEQVWAHXCLKSN-UHFFFAOYSA-N 1 0 416.525 3.560 40 0 HHABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccnc4c(C(=O)N5CCCC5)ncn43)C2)cc1C ZINC000306136107 568898005 /nfs/dbraw/zinc/89/80/05/568898005.db2.gz PJMXFDBVLDAKRF-HXUWFJFHSA-N 1 0 403.530 3.572 40 0 HHABRO Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23C[N@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139182 568900763 /nfs/dbraw/zinc/90/07/63/568900763.db2.gz SRMVJUOZJKXZBS-UXEORXRVSA-N 1 0 412.578 3.521 40 0 HHABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)s1 ZINC000306140929 568902644 /nfs/dbraw/zinc/90/26/44/568902644.db2.gz VGYFCKFOSPWEFB-UHFFFAOYSA-N 1 0 411.550 3.891 40 0 HHABRO Cc1cc(C)cc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(CC4CCC4)nc23)c1 ZINC000306141726 568903307 /nfs/dbraw/zinc/90/33/07/568903307.db2.gz WEXCDZBFGZYNIM-UHFFFAOYSA-N 1 0 406.574 3.919 40 0 HHABRO CC[NH+](CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(N)nc2n1 ZINC000077291492 568924193 /nfs/dbraw/zinc/92/41/93/568924193.db2.gz NVRJYYIGIPJQMX-UHFFFAOYSA-N 1 0 424.549 3.825 40 0 in-vitro HHABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(CC)cc1 ZINC000242649008 568968718 /nfs/dbraw/zinc/96/87/18/568968718.db2.gz RQRWOMWEVYHYQF-NJDAHSKKSA-N 1 0 407.963 3.824 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000328979618 568970946 /nfs/dbraw/zinc/97/09/46/568970946.db2.gz GHWLNKRJPSBOPA-UHFFFAOYSA-N 1 0 408.255 3.753 40 0 HHABRO C[NH+](C)CCNc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)n1 ZINC000329015876 568972740 /nfs/dbraw/zinc/97/27/40/568972740.db2.gz NDBLIXGAPSMTNH-UHFFFAOYSA-N 1 0 416.367 3.653 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)n1 ZINC000329045015 568974539 /nfs/dbraw/zinc/97/45/39/568974539.db2.gz TTYUXPBFPCIQRE-UHFFFAOYSA-N 1 0 413.875 3.977 40 0 HHABRO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000329057226 568974969 /nfs/dbraw/zinc/97/49/69/568974969.db2.gz VWDOHPDNTWJBNM-ZDUSSCGKSA-N 1 0 405.340 3.718 40 0 HHABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(Cc3ccccc3)CC1)C2 ZINC000035075018 569027780 /nfs/dbraw/zinc/02/77/80/569027780.db2.gz QGLFZRGNXFHVJW-QENXHYHDSA-N 1 0 400.607 3.787 40 0 HHABRO O=C(CCc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199321 569059035 /nfs/dbraw/zinc/05/90/35/569059035.db2.gz ZRBXXIDEDYNXKB-DUOVIKOCSA-N 1 0 406.570 3.976 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000019567729 569345640 /nfs/dbraw/zinc/34/56/40/569345640.db2.gz QUDIYISPMHIWQV-PGRDOPGGSA-N 1 0 409.530 3.578 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000019567741 569345715 /nfs/dbraw/zinc/34/57/15/569345715.db2.gz NYOKLTCMXIMYEY-QFBILLFUSA-N 1 0 415.559 3.640 40 0 HHABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019570232 569345779 /nfs/dbraw/zinc/34/57/79/569345779.db2.gz AUUQDGNDGZBZLJ-HYBUGGRVSA-N 1 0 416.525 3.869 40 0 HHABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000019695999 569428598 /nfs/dbraw/zinc/42/85/98/569428598.db2.gz NWTOHWSGRNQTCM-DEOSSOPVSA-N 1 0 423.488 3.540 40 0 HHABRO COCCOc1cccc(C[N@@H+]2[C@@H]3CCCC(=O)N[C@H]3C[C@H]2c2ccccc2F)c1 ZINC000019711741 569428934 /nfs/dbraw/zinc/42/89/34/569428934.db2.gz NCZRDAOUVDWMQT-ZRBLBEILSA-N 1 0 412.505 3.835 40 0 HHABRO Cc1nn(C)cc1C[NH+]1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1 ZINC000060328762 571315416 /nfs/dbraw/zinc/31/54/16/571315416.db2.gz JHDZMASHNBKTPS-UHFFFAOYSA-N 1 0 403.530 3.943 40 0 in-vitro HHABRO CC(=O)N1CC[NH+](C[C@@H]2C=C(C)[C@H](Cc3nnc(C(C)(C)C)o3)C[C@H]2C(C)C)CC1 ZINC000030883522 291247025 /nfs/dbraw/zinc/24/70/25/291247025.db2.gz POWPUNQHKXLEHK-ACRUOGEOSA-N 1 0 416.610 3.928 40 0 biogenic,in-vitro HHABRO CCC(CC)c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(C)=O)nc(-c2ccncc2)n1 ZINC000008623015 291249176 /nfs/dbraw/zinc/24/91/76/291249176.db2.gz VIPIBKRBCOLJQG-HBMCJLEFSA-N 1 0 407.562 3.756 40 0 biogenic,in-vitro HHABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NCc3ccccc3)no2)cc1 ZINC000008623826 291254134 /nfs/dbraw/zinc/25/41/34/291254134.db2.gz BEEIJENFUQPEGA-SFTDATJTSA-N 1 0 419.525 3.825 40 0 biogenic,in-vitro HHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)NCc1ccc(F)cc1 ZINC000008623618 291258819 /nfs/dbraw/zinc/25/88/19/291258819.db2.gz IFFWYKASFAKXGD-PMACEKPBSA-N 1 0 407.489 3.955 40 0 biogenic,in-vitro HHABRO Cc1cc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1N1CCCC1=O ZINC000225731101 525261956 /nfs/dbraw/zinc/26/19/56/525261956.db2.gz RATWQJVUNKMZPF-IRXDYDNUSA-N 1 0 402.608 3.776 40 0 HHABRO COc1cccc(CNC(=O)c2ccc(C3CC[NH+](C4CCCC4)CC3)nc2N)c1 ZINC000019766355 526004171 /nfs/dbraw/zinc/00/41/71/526004171.db2.gz ZXZJCWWNEKMTHF-UHFFFAOYSA-N 1 0 408.546 3.724 40 0 HHABRO CC[NH+](CC)CCOC(=O)[C@@H](C)Oc1c2ccoc2c(OC)c2oc(C)cc(=O)c12 ZINC000001577798 557273502 /nfs/dbraw/zinc/27/35/02/557273502.db2.gz MUZUSXFFAUEEQN-CQSZACIVSA-N 1 0 417.458 3.509 40 0 HHABRO CCCCNC(=O)[C@H]1C[C@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2[N@H+](C)C1 ZINC000005179329 557638952 /nfs/dbraw/zinc/63/89/52/557638952.db2.gz LTNOUVDGXDBIHL-JDFRZJQESA-N 1 0 404.352 3.807 40 0 HHABRO Cc1ccc([C@@H](Cn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)[NH+](C)C)cc1 ZINC000019719978 558258691 /nfs/dbraw/zinc/25/86/91/558258691.db2.gz OPVZKWVHFCEQKP-HSZRJFAPSA-N 1 0 403.530 3.660 40 0 HHABRO Cc1nc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)nc2c1CCC(=O)N2C ZINC000019739495 558260572 /nfs/dbraw/zinc/26/05/72/558260572.db2.gz GARVWNTYGIIHMG-UHFFFAOYSA-N 1 0 401.514 3.622 40 0 HHABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752934 558272179 /nfs/dbraw/zinc/27/21/79/558272179.db2.gz GTFOFVZTLGHMQL-OAQYLSRUSA-N 1 0 414.557 3.907 40 0 HHABRO CCOc1ccc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000012275828 558364227 /nfs/dbraw/zinc/36/42/27/558364227.db2.gz QEMLNAZXIZMGIR-UHFFFAOYSA-N 1 0 404.470 3.960 40 0 HHABRO COC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc(C(=O)OC)c1 ZINC000020458791 558371473 /nfs/dbraw/zinc/37/14/73/558371473.db2.gz IWARHGIALMDDGT-UHFFFAOYSA-N 1 0 424.497 3.744 40 0 HHABRO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000012365816 558388099 /nfs/dbraw/zinc/38/80/99/558388099.db2.gz HGXGWBLBQOCZFZ-JXFKEZNVSA-N 1 0 403.548 3.640 40 0 HHABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(C(C)C)cc1 ZINC000020636828 558396108 /nfs/dbraw/zinc/39/61/08/558396108.db2.gz QEBLNBFSYKRZKY-VXKWHMMOSA-N 1 0 419.525 3.575 40 0 HHABRO CCOc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCc1ccccc1Cl ZINC000022075659 558462459 /nfs/dbraw/zinc/46/24/59/558462459.db2.gz AFLVMICLHQNSPJ-UHFFFAOYSA-N 1 0 413.345 3.643 40 0 HHABRO O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030939903 558745443 /nfs/dbraw/zinc/74/54/43/558745443.db2.gz KUPCPPGLKMYGJC-UHFFFAOYSA-N 1 0 421.541 3.787 40 0 HHABRO Cc1cc2nc(C)c(CCC(=O)N[C@@H](C[NH+]3CCCCC3)c3ccccc3)c(C)n2n1 ZINC000036752610 558802998 /nfs/dbraw/zinc/80/29/98/558802998.db2.gz DLCOVLUPXBDEKI-QHCPKHFHSA-N 1 0 419.573 3.931 40 0 HHABRO O=C(C1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014675 558836753 /nfs/dbraw/zinc/83/67/53/558836753.db2.gz IDCANCLTPTXLHW-GOSISDBHSA-N 1 0 412.578 3.769 40 0 HHABRO COCC[N@@H+]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)Cc3ccccc3C)CC2)C1 ZINC000019237049 558856275 /nfs/dbraw/zinc/85/62/75/558856275.db2.gz ONNKHJKXPBHYLP-DEOSSOPVSA-N 1 0 422.569 3.619 40 0 HHABRO Cn1ccnc1[C@@H](NC(=O)C[NH+]1CCC(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000019291199 558863654 /nfs/dbraw/zinc/86/36/54/558863654.db2.gz AYLOOQHDEWXXKV-QHCPKHFHSA-N 1 0 406.505 3.644 40 0 HHABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000019291401 558863765 /nfs/dbraw/zinc/86/37/65/558863765.db2.gz ZXQOVDKEGLVHFZ-KEVCNVLYSA-N 1 0 418.541 3.514 40 0 HHABRO O=C(N[C@@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000019333851 558869221 /nfs/dbraw/zinc/86/92/21/558869221.db2.gz YJGWZQZAKALTHL-GOSISDBHSA-N 1 0 403.910 3.616 40 0 HHABRO c1[nH]nc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371264 558879236 /nfs/dbraw/zinc/87/92/36/558879236.db2.gz PTVZJRWWIAZWCX-FQEVSTJZSA-N 1 0 402.546 3.889 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400439 558883119 /nfs/dbraw/zinc/88/31/19/558883119.db2.gz KJUIGHUOUUAGGZ-NZQKXSOJSA-N 1 0 409.505 3.751 40 0 HHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000019400691 558883364 /nfs/dbraw/zinc/88/33/64/558883364.db2.gz FCJWSRJSGDQLJE-PIPMEXSNSA-N 1 0 415.484 3.608 40 0 HHABRO O=C1CC[C@@H]([NH2+]Cc2ccc(Sc3ncccn3)o2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019403962 558884485 /nfs/dbraw/zinc/88/44/85/558884485.db2.gz KYJSCPSUVCDWTC-APWZRJJASA-N 1 0 416.453 3.609 40 0 HHABRO COc1ccccc1C[NH2+][C@H](c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1)C(C)C ZINC000019445480 558885564 /nfs/dbraw/zinc/88/55/64/558885564.db2.gz CVCUSCPKNLZQNU-QHCPKHFHSA-N 1 0 403.486 3.992 40 0 HHABRO CCN1CC[N@H+](Cc2ccccn2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527401 558908561 /nfs/dbraw/zinc/90/85/61/558908561.db2.gz VRIVPEXPINBKHM-QHCPKHFHSA-N 1 0 400.526 3.667 40 0 HHABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019528748 558910042 /nfs/dbraw/zinc/91/00/42/558910042.db2.gz CIEDHDASILZBFN-XMMPIXPASA-N 1 0 404.514 3.698 40 0 HHABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530047 558911254 /nfs/dbraw/zinc/91/12/54/558911254.db2.gz DUFAETVUVTZTPF-SBUREZEXSA-N 1 0 416.493 3.705 40 0 HHABRO CCOc1ncc(C2(O)CC[NH+](Cc3cccc4ccccc43)CC2)c(OCC)n1 ZINC000019531741 558912067 /nfs/dbraw/zinc/91/20/67/558912067.db2.gz COGTVJXGAMHACE-UHFFFAOYSA-N 1 0 407.514 3.911 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019555125 558917909 /nfs/dbraw/zinc/91/79/09/558917909.db2.gz UKUDXBZGSLXTIS-LJQANCHMSA-N 1 0 418.545 3.855 40 0 HHABRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](c2cc(C(=O)N3CCC(C)CC3)on2)C1 ZINC000019554940 558917936 /nfs/dbraw/zinc/91/79/36/558917936.db2.gz GTAWQKXIXHSXNX-LJQANCHMSA-N 1 0 421.545 3.882 40 0 HHABRO Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3cccnc3)C3CC[NH+](C)CC3)c2)n1 ZINC000019574487 558932134 /nfs/dbraw/zinc/93/21/34/558932134.db2.gz HDEXESFFAYRXSC-UHFFFAOYSA-N 1 0 417.557 3.680 40 0 HHABRO CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591322 558941646 /nfs/dbraw/zinc/94/16/46/558941646.db2.gz LXFWPVDHPDVZRO-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000019591720 558942402 /nfs/dbraw/zinc/94/24/02/558942402.db2.gz IJKMWFVYSOHXAA-AREMUKBSSA-N 1 0 415.537 3.938 40 0 HHABRO COc1ncc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc3ccccc32)c(OC)n1 ZINC000019594793 558945591 /nfs/dbraw/zinc/94/55/91/558945591.db2.gz NJZIJYGSBYXWQH-QRQCMCJISA-N 1 0 405.498 3.662 40 0 HHABRO C[NH+](C)[C@H](CNC(=O)C1(c2ccccc2F)CCOCC1)c1cccc(Cl)c1 ZINC000019654827 558948234 /nfs/dbraw/zinc/94/82/34/558948234.db2.gz RILHEGMWZDNVJW-HXUWFJFHSA-N 1 0 404.913 3.946 40 0 HHABRO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@@H+](CC(=O)N4CCC(C)CC4)C3)nc2)n1 ZINC000072353276 558950155 /nfs/dbraw/zinc/95/01/55/558950155.db2.gz GMEGZTCTFXQYND-HXUWFJFHSA-N 1 0 422.577 3.670 40 0 HHABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359000 558954745 /nfs/dbraw/zinc/95/47/45/558954745.db2.gz CAJOFHHYVPGMIS-KRWDZBQOSA-N 1 0 418.463 3.964 40 0 HHABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370564 558957031 /nfs/dbraw/zinc/95/70/31/558957031.db2.gz RYUFKVHHBVGREJ-QGZVFWFLSA-N 1 0 423.586 3.714 40 0 HHABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3CC(=O)N3CCCCC3)c2)n1 ZINC000072372471 558959956 /nfs/dbraw/zinc/95/99/56/558959956.db2.gz LCDYRMLOFZDBEN-OAQYLSRUSA-N 1 0 408.550 3.690 40 0 HHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@@H+]2Cc2ccccc2F)n1 ZINC000019690454 558960017 /nfs/dbraw/zinc/96/00/17/558960017.db2.gz BBFABOFZGNTHHK-NRFANRHFSA-N 1 0 419.504 3.785 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2cc(-c3ccc(C(=O)NC)nc3)cc(C)n2)c(C)n1 ZINC000019691025 558960664 /nfs/dbraw/zinc/96/06/64/558960664.db2.gz TUXVDXRCCZCRMD-QHCPKHFHSA-N 1 0 418.545 3.674 40 0 HHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694078 558962275 /nfs/dbraw/zinc/96/22/75/558962275.db2.gz JIZIBNLRUVLXHX-SFHVURJKSA-N 1 0 408.525 3.770 40 0 HHABRO C[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(Cl)c2)CC1 ZINC000072377285 558966644 /nfs/dbraw/zinc/96/66/44/558966644.db2.gz KVONCHYDPIBOAE-LJQANCHMSA-N 1 0 413.953 3.775 40 0 HHABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](CCCc4ccccc4)C3)n2)ncn1 ZINC000072377918 558967164 /nfs/dbraw/zinc/96/71/64/558967164.db2.gz NLUNTYHGDMLKFW-LJQANCHMSA-N 1 0 403.534 3.864 40 0 HHABRO COc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccncc4)n3)CC2)c(OC)c1 ZINC000072392698 558972404 /nfs/dbraw/zinc/97/24/04/558972404.db2.gz JJGSZOSZTAUOLS-UHFFFAOYSA-N 1 0 406.486 3.641 40 0 HHABRO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072395946 558974945 /nfs/dbraw/zinc/97/49/45/558974945.db2.gz HHRUONSWPKAVKU-DEOSSOPVSA-N 1 0 404.514 3.698 40 0 HHABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@@H+](C4CCOCC4)C3)on2)cc1 ZINC000072396049 558975026 /nfs/dbraw/zinc/97/50/26/558975026.db2.gz JXBAXCXZVUZFGM-DEOSSOPVSA-N 1 0 411.546 3.542 40 0 HHABRO Cc1ccnn1Cc1cc(C(=O)NC(C)(C)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000019716430 558978310 /nfs/dbraw/zinc/97/83/10/558978310.db2.gz OGLKQCQAIWHSBF-UHFFFAOYSA-N 1 0 405.546 3.782 40 0 HHABRO Cc1nn(C)cc1-c1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCCC2)[nH]n1 ZINC000019718753 558982154 /nfs/dbraw/zinc/98/21/54/558982154.db2.gz BFEWKXQAVGXJLY-HSZRJFAPSA-N 1 0 420.561 3.774 40 0 HHABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](Cc1nc3ccccn3c1C)CC2 ZINC000585099831 559024541 /nfs/dbraw/zinc/02/45/41/559024541.db2.gz DHYXWACPCZUWHZ-DEOSSOPVSA-N 1 0 421.545 3.795 40 0 HHABRO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000585102973 559026341 /nfs/dbraw/zinc/02/63/41/559026341.db2.gz ADQTUKQBTYWPNM-QFIPXVFZSA-N 1 0 407.558 3.787 40 0 HHABRO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@H+](CCOC)C(C)C)C2)CC1 ZINC000585104534 559027033 /nfs/dbraw/zinc/02/70/33/559027033.db2.gz QACFOQDSAWMNKG-NRFANRHFSA-N 1 0 402.579 3.617 40 0 HHABRO COCC[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2)C(C)C ZINC000585104812 559027341 /nfs/dbraw/zinc/02/73/41/559027341.db2.gz SZGCQKVYPWQGAI-HXUWFJFHSA-N 1 0 406.542 3.502 40 0 HHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)o1 ZINC000096052932 559092708 /nfs/dbraw/zinc/09/27/08/559092708.db2.gz UTVRVHCNYLINGY-OAQYLSRUSA-N 1 0 421.585 3.773 40 0 HHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053108 559092943 /nfs/dbraw/zinc/09/29/43/559092943.db2.gz VSNXCFMJZCBKMX-NRFANRHFSA-N 1 0 405.542 3.899 40 0 HHABRO C[N@@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]12 ZINC000096145274 559097202 /nfs/dbraw/zinc/09/72/02/559097202.db2.gz KSJVLSMECNSOHG-NFBKMPQASA-N 1 0 411.933 3.905 40 0 HHABRO Cc1ccc(N2CCN(CC(C)C)C3(CC[NH+](Cc4cccs4)CC3)C2=O)cn1 ZINC000096230371 559102980 /nfs/dbraw/zinc/10/29/80/559102980.db2.gz KGRMJSIFHAFEBC-UHFFFAOYSA-N 1 0 412.603 3.791 40 0 HHABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)CN(C(=O)c1ccccn1)Cc1ccccc12 ZINC000096242606 559104249 /nfs/dbraw/zinc/10/42/49/559104249.db2.gz VARMYTQVEFBQQY-UHFFFAOYSA-N 1 0 416.525 3.876 40 0 HHABRO COc1cccc(NC(=O)c2ncn3c2nccc3C2CC[NH+](CC3CC3)CC2)c1 ZINC000096267215 559107944 /nfs/dbraw/zinc/10/79/44/559107944.db2.gz AHDLVVWASBHSFR-UHFFFAOYSA-N 1 0 405.502 3.580 40 0 HHABRO Cc1cnc(Nc2ncc(F)c(CC3CC[NH+](Cc4cnc(C)nc4)CC3)n2)s1 ZINC000585263040 559111381 /nfs/dbraw/zinc/11/13/81/559111381.db2.gz WRMKBQVZFOHGKR-UHFFFAOYSA-N 1 0 413.526 3.677 40 0 HHABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 ZINC000585274360 559118646 /nfs/dbraw/zinc/11/86/46/559118646.db2.gz WECMHZVHCKXGFM-AREMUKBSSA-N 1 0 424.585 3.728 40 0 HHABRO Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCn4cccn4)c3)CC2)cc1 ZINC000585274601 559118729 /nfs/dbraw/zinc/11/87/29/559118729.db2.gz XJZFBONYUDJUSO-UHFFFAOYSA-N 1 0 421.541 3.676 40 0 HHABRO Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)c2)n1 ZINC000585291093 559123627 /nfs/dbraw/zinc/12/36/27/559123627.db2.gz KAOUWIRBPQKAGB-BLGFXRMMSA-N 1 0 402.502 3.980 40 0 HHABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)[nH+]1 ZINC000585291847 559124203 /nfs/dbraw/zinc/12/42/03/559124203.db2.gz UJJZARLIDQMKBO-IBDYFIJFSA-N 1 0 416.529 3.990 40 0 HHABRO Cc1nc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)sc1C ZINC000585293122 559125580 /nfs/dbraw/zinc/12/55/80/559125580.db2.gz XHPASCYGGVMFNG-LNENJAERSA-N 1 0 414.579 3.773 40 0 HHABRO CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCC[NH+](C)C)CC1 ZINC000100657923 559137390 /nfs/dbraw/zinc/13/73/90/559137390.db2.gz KYNDQRJSCOYUJO-CALCHBBNSA-N 1 0 401.576 3.603 40 0 HHABRO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCCCC3)cc2c1 ZINC000000782704 559279309 /nfs/dbraw/zinc/27/93/09/559279309.db2.gz IHTNMLSZBWUQFW-HXUWFJFHSA-N 1 0 424.549 3.634 40 0 HHABRO COc1cccc(-c2cccc(CC3(C(=O)NCC[NH+]4CCCC4)CCOCC3)c2)c1 ZINC000257278530 559285255 /nfs/dbraw/zinc/28/52/55/559285255.db2.gz OCPRPLIEWDMZDU-UHFFFAOYSA-N 1 0 422.569 3.914 40 0 HHABRO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257283051 559285358 /nfs/dbraw/zinc/28/53/58/559285358.db2.gz OWOVCPGJLULNDQ-RUZDIDTESA-N 1 0 419.500 3.819 40 0 HHABRO COc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000000880601 560539663 /nfs/dbraw/zinc/53/96/63/560539663.db2.gz PSZGWWYOPZQGHM-UHFFFAOYSA-N 1 0 424.570 3.606 40 0 HHABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000880578 560539698 /nfs/dbraw/zinc/53/96/98/560539698.db2.gz HXLKKNIHLFHBRA-UHFFFAOYSA-N 1 0 412.534 3.736 40 0 HHABRO Cc1cccc2cc(CN(Cc3ccccc3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c12 ZINC000004131732 560599720 /nfs/dbraw/zinc/59/97/20/560599720.db2.gz SDRHSXIWVQLQLS-UHFFFAOYSA-N 1 0 422.598 3.665 40 0 HHABRO CC[C@H](C)NC(=S)N(CC[NH+](CC)CC)Cc1cc2cccc(C)c2[nH]c1=O ZINC000004161950 560602067 /nfs/dbraw/zinc/60/20/67/560602067.db2.gz NCTJHZWOKXAODR-KRWDZBQOSA-N 1 0 402.608 3.653 40 0 HHABRO CCNC(=S)N(CCC[NH+](CC)CC)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004162032 560602132 /nfs/dbraw/zinc/60/21/32/560602132.db2.gz IPMPYZOLXNXMNK-UHFFFAOYSA-N 1 0 402.608 3.573 40 0 HHABRO CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@@H+]1CC ZINC000004217032 560604086 /nfs/dbraw/zinc/60/40/86/560604086.db2.gz QWEDBBDPBOVKBG-HXUWFJFHSA-N 1 0 414.619 3.716 40 0 HHABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccccc2)c1 ZINC000409056451 560670352 /nfs/dbraw/zinc/67/03/52/560670352.db2.gz RKAAUIVATIYEEH-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccccc2)c1 ZINC000409056457 560670397 /nfs/dbraw/zinc/67/03/97/560670397.db2.gz RKAAUIVATIYEEH-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000409058305 560670703 /nfs/dbraw/zinc/67/07/03/560670703.db2.gz NOYBFPHEJULXHE-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409058455 560670707 /nfs/dbraw/zinc/67/07/07/560670707.db2.gz OVGAKSPQEZKNQF-LEMNDLQOSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409074630 560672875 /nfs/dbraw/zinc/67/28/75/560672875.db2.gz WBZMNZXRKMTDHB-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 ZINC000409072831 560673475 /nfs/dbraw/zinc/67/34/75/560673475.db2.gz SQKNWTGXSALXDK-NXTBZVMJSA-O 1 0 418.904 3.665 40 0 HHABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540309 560751574 /nfs/dbraw/zinc/75/15/74/560751574.db2.gz ABWIHIPXCFMNLG-UHFFFAOYSA-N 1 0 415.497 3.848 40 0 HHABRO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cccc(Cl)c1Cl ZINC000008215739 560753323 /nfs/dbraw/zinc/75/33/23/560753323.db2.gz QITJGRQBALNHMF-INIZCTEOSA-N 1 0 402.281 3.939 40 0 HHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1I ZINC000010543045 560770216 /nfs/dbraw/zinc/77/02/16/560770216.db2.gz MWUXEYKLEZNDTA-CQSZACIVSA-N 1 0 400.304 3.676 40 0 HHABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000010544197 560770374 /nfs/dbraw/zinc/77/03/74/560770374.db2.gz GXQKMVHBMNIMIU-ZDUSSCGKSA-N 1 0 409.379 3.935 40 0 HHABRO Cc1ncn(C23C[C@@H]4C[C@@H](CC(C(=O)NC[C@H](c5ccc(C)cc5)[NH+](C)C)(C4)C2)C3)n1 ZINC000019136424 560871930 /nfs/dbraw/zinc/87/19/30/560871930.db2.gz FQBFIQUSOKGVOO-IOGXQFCESA-N 1 0 421.589 3.610 40 0 HHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC1)O2 ZINC000019219272 560872070 /nfs/dbraw/zinc/87/20/70/560872070.db2.gz MQIIQCGDWOTLOZ-WTOYTKOKSA-N 1 0 409.526 3.703 40 0 HHABRO COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019553405 560873971 /nfs/dbraw/zinc/87/39/71/560873971.db2.gz SIKFFWSOXKRKRA-QHCPKHFHSA-N 1 0 424.593 3.837 40 0 HHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCc3ccc(OC)cc3)o2)c1 ZINC000022108558 568475348 /nfs/dbraw/zinc/47/53/48/568475348.db2.gz SGGKSCDWZBXEGT-UHFFFAOYSA-N 1 0 423.465 3.861 40 0 HHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)c1 ZINC000022108517 568475427 /nfs/dbraw/zinc/47/54/27/568475427.db2.gz SPBLXUGODPEYHV-UHFFFAOYSA-N 1 0 423.421 3.538 40 0 HHABRO COc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4C)CC3)n2)cc1 ZINC000219405311 568491342 /nfs/dbraw/zinc/49/13/42/568491342.db2.gz FKAHCBVIWFATJR-UHFFFAOYSA-N 1 0 420.513 3.582 40 0 HHABRO CC(C)C[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000057671240 568495124 /nfs/dbraw/zinc/49/51/24/568495124.db2.gz DHBLPTGCNONYOA-FQEVSTJZSA-N 1 0 414.941 3.877 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000223235043 568542001 /nfs/dbraw/zinc/54/20/01/568542001.db2.gz OEQGFLKPXZQNNH-FCHUYYIVSA-N 1 0 405.571 3.797 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000223236742 568542092 /nfs/dbraw/zinc/54/20/92/568542092.db2.gz NWCWRFPLUCDIAV-YADHBBJMSA-N 1 0 423.561 3.936 40 0 HHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000223278269 568543775 /nfs/dbraw/zinc/54/37/75/568543775.db2.gz CGEKLCCIYNRTRZ-SFTDATJTSA-N 1 0 409.534 3.546 40 0 HHABRO COc1cc2c(cc1S(=O)(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CCCC2 ZINC000224518972 568583501 /nfs/dbraw/zinc/58/35/01/568583501.db2.gz AYGSTFUFSXPKKC-UHFFFAOYSA-N 1 0 414.571 3.648 40 0 HHABRO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c(C)n(C)c4ccccc34)C2=O)cc1 ZINC000020494681 568615660 /nfs/dbraw/zinc/61/56/60/568615660.db2.gz YBOBIJKMDUJMIZ-QFIPXVFZSA-N 1 0 419.525 3.740 40 0 HHABRO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)C1 ZINC000225588088 568655038 /nfs/dbraw/zinc/65/50/38/568655038.db2.gz GEDYOODNJVDOHK-QGZVFWFLSA-N 1 0 409.977 3.929 40 0 HHABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)COc1cccnc1 ZINC000257202269 568776731 /nfs/dbraw/zinc/77/67/31/568776731.db2.gz ALCQTGKHSVYWOH-LYVDORBWSA-N 1 0 405.542 3.593 40 0 HHABRO O=C(c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1)N1CCCCC1 ZINC000257204127 568777369 /nfs/dbraw/zinc/77/73/69/568777369.db2.gz ATDHUBCHSHJSIP-IBGZPJMESA-N 1 0 403.530 3.964 40 0 HHABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2cccnc2)CC1 ZINC000257247310 568789538 /nfs/dbraw/zinc/78/95/38/568789538.db2.gz IYJQMHFASJTQKJ-UHFFFAOYSA-N 1 0 400.526 3.715 40 0 HHABRO C[NH+](C)CC(C)(C)CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257250456 568790485 /nfs/dbraw/zinc/79/04/85/568790485.db2.gz JMOZVJZDBVLAEX-UHFFFAOYSA-N 1 0 409.574 3.792 40 0 HHABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257252784 568791104 /nfs/dbraw/zinc/79/11/04/568791104.db2.gz JWDCIJPBCHNVNX-QGZVFWFLSA-N 1 0 403.486 3.870 40 0 HHABRO Cc1ccc(NC(=O)CN2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1F ZINC000257266610 568794566 /nfs/dbraw/zinc/79/45/66/568794566.db2.gz MDRXEQHMSIVWOC-FPOVZHCZSA-N 1 0 406.885 3.630 40 0 HHABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000257298590 568803950 /nfs/dbraw/zinc/80/39/50/568803950.db2.gz RMJXJENTGXBRFK-JOCHJYFZSA-N 1 0 416.529 3.626 40 0 HHABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257307366 568806794 /nfs/dbraw/zinc/80/67/94/568806794.db2.gz SYHZEKWGDCATCU-QGZVFWFLSA-N 1 0 418.538 3.793 40 0 HHABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2cccnc2)CC1 ZINC000257330636 568813471 /nfs/dbraw/zinc/81/34/71/568813471.db2.gz XPGHTXGMDGFCRK-UHFFFAOYSA-N 1 0 400.526 3.715 40 0 HHABRO CC[NH+]1CCC(CC(=O)N2CCC(c3cncc(Nc4ncccc4C)n3)CC2)CC1 ZINC000257341277 568816436 /nfs/dbraw/zinc/81/64/36/568816436.db2.gz ZJQKNRUROLNTFV-UHFFFAOYSA-N 1 0 422.577 3.752 40 0 HHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306126135 568888794 /nfs/dbraw/zinc/88/87/94/568888794.db2.gz DOANAYSLPFOABI-URXFXBBRSA-N 1 0 410.537 3.831 40 0 HHABRO CC(C)n1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 ZINC000306126132 568888802 /nfs/dbraw/zinc/88/88/02/568888802.db2.gz DOAAEQCEJFVTAA-NRFANRHFSA-N 1 0 401.518 3.948 40 0 HHABRO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306130877 568893410 /nfs/dbraw/zinc/89/34/10/568893410.db2.gz JRTDMISHIWPRKC-DEOSSOPVSA-N 1 0 403.482 3.762 40 0 HHABRO CCc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306137668 568899517 /nfs/dbraw/zinc/89/95/17/568899517.db2.gz RCTCCDNDTHMQGQ-YADHBBJMSA-N 1 0 406.555 3.897 40 0 HHABRO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@H+](Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306139768 568901545 /nfs/dbraw/zinc/90/15/45/568901545.db2.gz UABCKKAEWHTUOW-XMMPIXPASA-N 1 0 403.482 3.736 40 0 HHABRO CCC[N@H+](CCN1CCN(c2ccccc2OC)CC1)[C@@H]1CCc2ncsc2C1 ZINC000095641926 568936324 /nfs/dbraw/zinc/93/63/24/568936324.db2.gz RSWFSOOHVWOZQI-LJQANCHMSA-N 1 0 414.619 3.543 40 0 HHABRO CCOC[C@@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610782 568939745 /nfs/dbraw/zinc/93/97/45/568939745.db2.gz WQIRXLPCLCLVOB-QYZOEREBSA-N 1 0 414.354 3.915 40 0 HHABRO COC[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242648546 568968796 /nfs/dbraw/zinc/96/87/96/568968796.db2.gz QZBLKSMVNIQJEB-RCCFBDPRSA-N 1 0 400.327 3.525 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)n1 ZINC000328983678 568971258 /nfs/dbraw/zinc/97/12/58/568971258.db2.gz HIARENPPRNAFBK-UHFFFAOYSA-N 1 0 411.497 3.917 40 0 HHABRO C[NH+](C)CCNc1nc(Nc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328984127 568971286 /nfs/dbraw/zinc/97/12/86/568971286.db2.gz HLSKOTJWBJPIGY-UHFFFAOYSA-N 1 0 417.435 3.603 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2cccnc2)n1 ZINC000328988416 568971431 /nfs/dbraw/zinc/97/14/31/568971431.db2.gz IGSHBKSNOIWQIB-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO OCCCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000328993774 568971733 /nfs/dbraw/zinc/97/17/33/568971733.db2.gz JBPAHJHFRAYRQR-UHFFFAOYSA-N 1 0 408.424 3.610 40 0 HHABRO Cc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329013996 568972611 /nfs/dbraw/zinc/97/26/11/568972611.db2.gz MTIKVFJBWDRHDD-KRWDZBQOSA-N 1 0 410.440 3.675 40 0 HHABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329061756 568975168 /nfs/dbraw/zinc/97/51/68/568975168.db2.gz WTICXIUILXEXIW-QGZVFWFLSA-N 1 0 405.340 3.539 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccn2)n1 ZINC000329065387 568975249 /nfs/dbraw/zinc/97/52/49/568975249.db2.gz XQSRWIHEALCIKC-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)cc(Cl)c2OC)CC1 ZINC000226259620 569278719 /nfs/dbraw/zinc/27/87/19/569278719.db2.gz XBQGURNRIJFBFV-UHFFFAOYSA-N 1 0 423.344 3.978 40 0 HHABRO CC1(C)[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C[C@@H]1[NH2+]CC1CC1 ZINC000067890373 291248677 /nfs/dbraw/zinc/24/86/77/291248677.db2.gz ZZYBAXDMIOPOCN-YKSBVNFPSA-N 1 0 408.590 3.954 40 0 biogenic,in-vitro HHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1)NCc1cccnc1 ZINC000015673690 291258812 /nfs/dbraw/zinc/25/88/12/291258812.db2.gz REDMNHUGWJKBBT-SFTDATJTSA-N 1 0 410.562 3.667 40 0 biogenic,in-vitro HHABRO Cn1c2ccccc2c2c1C(=O)N(CCCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000001623027 132247140 /nfs/dbraw/zinc/24/71/40/132247140.db2.gz VCJFHCNTZJFPPV-UHFFFAOYSA-N 1 0 416.569 3.779 40 0 HHABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000072345941 527073542 /nfs/dbraw/zinc/07/35/42/527073542.db2.gz MJRWIJIBBXWLRO-SFHVURJKSA-N 1 0 421.932 3.858 40 0 HHABRO Cc1nn(C)c2nc(C3CCN(C(=O)[C@@H](c4ccccc4)[NH+]4CCCC4)CC3)ccc12 ZINC000019744725 558265235 /nfs/dbraw/zinc/26/52/35/558265235.db2.gz GFBVFXZVCBBEKU-HSZRJFAPSA-N 1 0 417.557 3.820 40 0 HHABRO Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000019754946 558274030 /nfs/dbraw/zinc/27/40/30/558274030.db2.gz VQSYCPDDLKQSBF-UHFFFAOYSA-N 1 0 401.580 3.964 40 0 HHABRO Cc1nc(CC2CC[NH+](Cc3ccnn3C)CC2)cc(NCc2ccccc2F)n1 ZINC000019758514 558274977 /nfs/dbraw/zinc/27/49/77/558274977.db2.gz XJDKUCWLNFSBHC-UHFFFAOYSA-N 1 0 408.525 3.724 40 0 HHABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766358 558278725 /nfs/dbraw/zinc/27/87/25/558278725.db2.gz WRYPSYLBOWIMRR-HXUWFJFHSA-N 1 0 419.504 3.629 40 0 HHABRO COc1cccc(CN2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)[C@@H](C)C2)c1 ZINC000012115684 558327843 /nfs/dbraw/zinc/32/78/43/558327843.db2.gz KUWAPSTXWQXHSM-IBGZPJMESA-N 1 0 411.546 3.621 40 0 HHABRO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000012186606 558345754 /nfs/dbraw/zinc/34/57/54/558345754.db2.gz NYPZNLOUDPFTJW-UHFFFAOYSA-N 1 0 415.946 3.652 40 0 HHABRO COc1ccc2c(c1)C=C(C[NH+]1CCC(NC(C)=O)(c3ccccc3F)CC1)CO2 ZINC000012219471 558355080 /nfs/dbraw/zinc/35/50/80/558355080.db2.gz CBJPEFBSZSXJHC-UHFFFAOYSA-N 1 0 410.489 3.738 40 0 HHABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293686 558366963 /nfs/dbraw/zinc/36/69/63/558366963.db2.gz UWPPSFUFJORMIT-SFTDATJTSA-N 1 0 401.478 3.609 40 0 HHABRO COC(=O)c1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC000020494313 558379726 /nfs/dbraw/zinc/37/97/26/558379726.db2.gz HQOIYUDJQQGOLC-INIZCTEOSA-N 1 0 424.497 3.744 40 0 HHABRO CCOc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075648 558462365 /nfs/dbraw/zinc/46/23/65/558462365.db2.gz RRLGOHOPQNJDSY-UHFFFAOYSA-N 1 0 413.345 3.643 40 0 HHABRO O=c1[nH]c2c(cc1C[NH2+]C[C@H]1CCCO1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000026440841 558660939 /nfs/dbraw/zinc/66/09/39/558660939.db2.gz ICTSORLSKSUDPJ-HXUWFJFHSA-N 1 0 418.472 3.789 40 0 HHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000030555714 558732629 /nfs/dbraw/zinc/73/26/29/558732629.db2.gz BVTRUFRRZNWBCT-UHFFFAOYSA-N 1 0 420.294 3.817 40 0 HHABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCc3ccncc3)cc12 ZINC000036740446 558801654 /nfs/dbraw/zinc/80/16/54/558801654.db2.gz XIMDEJQBCLGOFW-UHFFFAOYSA-N 1 0 401.514 3.739 40 0 HHABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C[NH3+])c2ccc(OCc3ccccc3)cc2)C1 ZINC000038541265 558812720 /nfs/dbraw/zinc/81/27/20/558812720.db2.gz AYJXZURDIOKQON-UNMCSNQZSA-N 1 0 411.546 3.864 40 0 HHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3ccsc3)C1)O2 ZINC000019019609 558837609 /nfs/dbraw/zinc/83/76/09/558837609.db2.gz UDXSLKIBBDLZKJ-AVRDEDQJSA-N 1 0 400.544 3.778 40 0 HHABRO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1 ZINC000019216299 558850283 /nfs/dbraw/zinc/85/02/83/558850283.db2.gz OIJCEHIRLKTVNK-MBSDFSHPSA-N 1 0 408.546 3.719 40 0 HHABRO COCC[N@@H+]1C[C@H](c2ccccc2)OC2(CCN(C(=O)Cc3ccccc3C)CC2)C1 ZINC000019237050 558856295 /nfs/dbraw/zinc/85/62/95/558856295.db2.gz ONNKHJKXPBHYLP-XMMPIXPASA-N 1 0 422.569 3.619 40 0 HHABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000019370425 558878606 /nfs/dbraw/zinc/87/86/06/558878606.db2.gz JNPGECSVGHDXIH-VWLOTQADSA-N 1 0 400.526 3.789 40 0 HHABRO O=C(CCCc1nc(-c2ccccn2)no1)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019403108 558883987 /nfs/dbraw/zinc/88/39/87/558883987.db2.gz XQCLCERTZYHLJU-LJQANCHMSA-N 1 0 411.550 3.711 40 0 HHABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019449520 558887991 /nfs/dbraw/zinc/88/79/91/558887991.db2.gz YVORJTYSGSAIEK-SANMLTNESA-N 1 0 419.569 3.855 40 0 HHABRO C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000019497341 558896218 /nfs/dbraw/zinc/89/62/18/558896218.db2.gz HMMNKOULHLHRHL-IYBDPMFKSA-N 1 0 416.953 3.692 40 0 HHABRO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000019498199 558896908 /nfs/dbraw/zinc/89/69/08/558896908.db2.gz OHARHGKLGGCDRI-KHOMTPLRSA-N 1 0 423.557 3.511 40 0 HHABRO CCCC(=O)NCCn1nc(C2CC[NH+](Cc3ccc(F)cc3)CC2)c2cccnc21 ZINC000019501755 558899996 /nfs/dbraw/zinc/89/99/96/558899996.db2.gz IUAAXALHLLDTAD-UHFFFAOYSA-N 1 0 423.536 3.866 40 0 HHABRO CCN1CC[N@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527405 558908536 /nfs/dbraw/zinc/90/85/36/558908536.db2.gz UHOJVXILSZSOQW-DEOSSOPVSA-N 1 0 400.526 3.667 40 0 HHABRO CCN1CC[N@H+](Cc2cccnc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527719 558908889 /nfs/dbraw/zinc/90/88/89/558908889.db2.gz OEXWWNNEEGQGQR-QHCPKHFHSA-N 1 0 400.526 3.667 40 0 HHABRO COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000019553972 558917034 /nfs/dbraw/zinc/91/70/34/558917034.db2.gz JAKOLGSQPJGUKP-BJKOFHAPSA-N 1 0 416.525 3.730 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019555126 558917974 /nfs/dbraw/zinc/91/79/74/558917974.db2.gz UKUDXBZGSLXTIS-IBGZPJMESA-N 1 0 418.545 3.855 40 0 HHABRO Cc1sc2ncn(CC3(O)CC[NH+](Cc4ccc(Cl)cc4)CC3)c(=O)c2c1C ZINC000019561538 558922125 /nfs/dbraw/zinc/92/21/25/558922125.db2.gz ATGSKAXGHAWHDT-UHFFFAOYSA-N 1 0 417.962 3.755 40 0 HHABRO Cc1cc(-c2cc3nc(C4CC[NH+](Cc5cnn(C)c5C)CC4)cc(N)n3n2)c(C)o1 ZINC000019567768 558927036 /nfs/dbraw/zinc/92/70/36/558927036.db2.gz LZPZXOPISCSESQ-UHFFFAOYSA-N 1 0 419.533 3.610 40 0 HHABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(N3CCCCC3)n2)C1 ZINC000019577457 558933262 /nfs/dbraw/zinc/93/32/62/558933262.db2.gz VSAROLQMFRJJSR-LJQANCHMSA-N 1 0 412.582 3.534 40 0 HHABRO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019579586 558935161 /nfs/dbraw/zinc/93/51/61/558935161.db2.gz XXOGYSOIYFLBDU-DEOSSOPVSA-N 1 0 404.514 3.650 40 0 HHABRO COc1ccnc(C[N@@H+]2CCC[C@H](c3nc(C)ncc3-c3ccncc3)C2)c1OC ZINC000072334719 558935765 /nfs/dbraw/zinc/93/57/65/558935765.db2.gz YWBXXEJLLFHISX-SFHVURJKSA-N 1 0 405.502 3.639 40 0 HHABRO c1ccc(C[N@H+]2CCCN(c3nccc(CN4CCc5ccccc5C4)n3)CC2)cc1 ZINC000072341240 558939466 /nfs/dbraw/zinc/93/94/66/558939466.db2.gz PTPVWMFFRLNDAK-UHFFFAOYSA-N 1 0 413.569 3.747 40 0 HHABRO COc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000019654691 558947970 /nfs/dbraw/zinc/94/79/70/558947970.db2.gz DKNPYOUUMPPEPA-KRWDZBQOSA-N 1 0 410.514 3.556 40 0 HHABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cn1 ZINC000072353455 558950359 /nfs/dbraw/zinc/95/03/59/558950359.db2.gz RSKNVTBZDLTRCB-FQEVSTJZSA-N 1 0 418.545 3.887 40 0 HHABRO C[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCCc4ccccn4)CCOCC3)c2)C1 ZINC000072372257 558959520 /nfs/dbraw/zinc/95/95/20/558959520.db2.gz XSZATOIGAKBQCZ-QHCPKHFHSA-N 1 0 421.585 3.589 40 0 HHABRO COc1ccc(NC(=O)CN2CCC[C@H]2c2cc(Nc3cnccn3)cc(C)[nH+]2)cc1 ZINC000072372484 558959960 /nfs/dbraw/zinc/95/99/60/558959960.db2.gz HSQXNKJLJRNVQQ-NRFANRHFSA-N 1 0 418.501 3.708 40 0 HHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019694103 558962242 /nfs/dbraw/zinc/96/22/42/558962242.db2.gz DVUFJNSSIARYGF-GOSISDBHSA-N 1 0 408.525 3.770 40 0 HHABRO Cc1nn(C)cc1C[NH+]1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698505 558966208 /nfs/dbraw/zinc/96/62/08/558966208.db2.gz WHKIKWLAJKHHLK-HSZRJFAPSA-N 1 0 410.537 3.685 40 0 HHABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000019707381 558969706 /nfs/dbraw/zinc/96/97/06/558969706.db2.gz AFUMEXZVAPDLCV-OAQYLSRUSA-N 1 0 413.525 3.808 40 0 HHABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]21 ZINC000072392540 558972030 /nfs/dbraw/zinc/97/20/30/558972030.db2.gz SQHZRLMAJMQMGE-LEEZEASISA-N 1 0 402.498 3.702 40 0 HHABRO Cc1cc(C)n(-c2cccc(C[N@H+]3C[C@H]4[C@H](CC[C@]4(O)c4ncccc4C)C3)c2)n1 ZINC000072392528 558972144 /nfs/dbraw/zinc/97/21/44/558972144.db2.gz ZRLRPGXCMAGQAW-NMVJMZGASA-N 1 0 402.542 3.922 40 0 HHABRO COCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1c2cccnc2[nH]c1C(C)C ZINC000072395511 558974227 /nfs/dbraw/zinc/97/42/27/558974227.db2.gz HKYISDKKWGNAGI-NHCUHLMSSA-N 1 0 420.557 3.807 40 0 HHABRO CN(C)c1ncc(C(=O)N2CCC[C@@]3(CCC[N@@H+]3Cc3cccc(F)c3)CC2)o1 ZINC000585100428 559023987 /nfs/dbraw/zinc/02/39/87/559023987.db2.gz WNCCVTUTONXRQJ-JOCHJYFZSA-N 1 0 400.498 3.541 40 0 HHABRO C[NH+](C)CCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096038158 559091837 /nfs/dbraw/zinc/09/18/37/559091837.db2.gz RMJAYANYYDYNFA-UHFFFAOYSA-N 1 0 405.477 3.613 40 0 HHABRO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5cnn(C)c5)CC4)nn3c2)c1 ZINC000096038221 559091883 /nfs/dbraw/zinc/09/18/83/559091883.db2.gz YLLHKUMQVXPHCO-UHFFFAOYSA-N 1 0 402.502 3.518 40 0 HHABRO CN1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4cccs4)CC3)c3ccccc32)CC1 ZINC000096052923 559092717 /nfs/dbraw/zinc/09/27/17/559092717.db2.gz POPYUMQXHBTUKG-HXUWFJFHSA-N 1 0 423.626 3.933 40 0 HHABRO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096056032 559093686 /nfs/dbraw/zinc/09/36/86/559093686.db2.gz XFZINQXEOORSRV-UGKGYDQZSA-N 1 0 402.560 3.927 40 0 HHABRO COCCn1c(C(=O)N2CCC([NH+](C)C)CC2)cc2c1c1ccccc1n2C(C)C ZINC000096146354 559097831 /nfs/dbraw/zinc/09/78/31/559097831.db2.gz WEAFGTSJWHMLJL-UHFFFAOYSA-N 1 0 410.562 3.990 40 0 HHABRO O=C(c1cscn1)N1C[C@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096245488 559105011 /nfs/dbraw/zinc/10/50/11/559105011.db2.gz POQRKMBFEKVMSZ-NHCUHLMSSA-N 1 0 403.551 3.979 40 0 HHABRO Cc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585272746 559118173 /nfs/dbraw/zinc/11/81/73/559118173.db2.gz JHSAFSWGHOOBJK-VWLOTQADSA-N 1 0 421.541 3.676 40 0 HHABRO COc1cc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc(OC)c1OC ZINC000585290044 559122604 /nfs/dbraw/zinc/12/26/04/559122604.db2.gz QNUSUDYOFVXWAO-WAOWUJCRSA-N 1 0 421.921 3.816 40 0 HHABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)[nH+]1 ZINC000585292905 559126165 /nfs/dbraw/zinc/12/61/65/559126165.db2.gz UGHDEGCHSJFOIG-SGQUHAKNSA-N 1 0 416.529 3.990 40 0 HHABRO COc1ccc(C[NH2+][C@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1 ZINC000100744445 559139548 /nfs/dbraw/zinc/13/95/48/559139548.db2.gz TYWVNVOJFSTEBR-QHCPKHFHSA-N 1 0 403.486 3.992 40 0 HHABRO Cc1nc2ccccn2c1-c1nnc2sc(C[N@@H+]3CC[C@H](c4ccccc4)C3)nn21 ZINC000227144100 559274242 /nfs/dbraw/zinc/27/42/42/559274242.db2.gz QXKJKGJVBQOFIS-KRWDZBQOSA-N 1 0 415.526 3.798 40 0 HHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000880600 560539686 /nfs/dbraw/zinc/53/96/86/560539686.db2.gz LNEXXTCLFNWGKG-UHFFFAOYSA-N 1 0 412.534 3.736 40 0 HHABRO Cc1cc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1C ZINC000000880663 560539707 /nfs/dbraw/zinc/53/97/07/560539707.db2.gz CDZYFLVRLNGGKQ-UHFFFAOYSA-N 1 0 408.571 3.906 40 0 HHABRO Cc1cc(C)n(-c2nc(N3CCC[N@H+](Cc4ccccc4)CC3)nc3c2CCCC3)n1 ZINC000004943227 560616025 /nfs/dbraw/zinc/61/60/25/560616025.db2.gz LTYNEBNQIBXCGO-UHFFFAOYSA-N 1 0 416.573 3.870 40 0 HHABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000409057814 560670574 /nfs/dbraw/zinc/67/05/74/560670574.db2.gz LJLBEIUFYSYSDK-DCFWFYTKSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000409059074 560670867 /nfs/dbraw/zinc/67/08/67/560670867.db2.gz QSZSMTUCEFFIGI-WXUIRWOTSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 ZINC000409061382 560671582 /nfs/dbraw/zinc/67/15/82/560671582.db2.gz WUMKTOUASLIKLY-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000409055736 560671632 /nfs/dbraw/zinc/67/16/32/560671632.db2.gz ATQOFSOQRAXPLR-OLMNJFBISA-O 1 0 412.513 3.826 40 0 HHABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000006288065 560741006 /nfs/dbraw/zinc/74/10/06/560741006.db2.gz QRFMNCAGZJOZKU-UHFFFAOYSA-N 1 0 423.369 3.872 40 0 HHABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000010544196 560770324 /nfs/dbraw/zinc/77/03/24/560770324.db2.gz GXQKMVHBMNIMIU-CYBMUJFWSA-N 1 0 409.379 3.935 40 0 HHABRO Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019372828 560872465 /nfs/dbraw/zinc/87/24/65/560872465.db2.gz ILQWFWXLDPQQGC-QHCPKHFHSA-N 1 0 420.536 3.510 40 0 HHABRO Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140974 560881376 /nfs/dbraw/zinc/88/13/76/560881376.db2.gz YBWVRNARCXQZPD-XMMPIXPASA-N 1 0 416.573 3.679 40 0 HHABRO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH2+][C@@H]3CCCC[C@@H]3C)cc21 ZINC000006732821 568458718 /nfs/dbraw/zinc/45/87/18/568458718.db2.gz JASNWUQUBISMEN-RIFZZMRRSA-N 1 0 402.535 3.571 40 0 HHABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccccn1 ZINC000223526010 568550952 /nfs/dbraw/zinc/55/09/52/568550952.db2.gz JMMSNTZUDIXRJQ-FGZHOGPDSA-N 1 0 412.522 3.835 40 0 HHABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C(C)C ZINC000224792066 568597097 /nfs/dbraw/zinc/59/70/97/568597097.db2.gz IWFPLSJYRUSNLJ-UHFFFAOYSA-N 1 0 402.560 3.893 40 0 HHABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)c(I)c1 ZINC000225025581 568609791 /nfs/dbraw/zinc/60/97/91/568609791.db2.gz JPDXSJYBWHXZLZ-UHFFFAOYSA-N 1 0 400.304 3.596 40 0 HHABRO Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(I)c1 ZINC000225025495 568609837 /nfs/dbraw/zinc/60/98/37/568609837.db2.gz ZHBSZTCPZJRVID-HUUCEWRRSA-N 1 0 414.331 3.697 40 0 HHABRO FC(F)(F)Oc1cccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000225232646 568624881 /nfs/dbraw/zinc/62/48/81/568624881.db2.gz YYTHLMLLDJCDJU-UHFFFAOYSA-N 1 0 410.465 3.931 40 0 HHABRO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000225269443 568626994 /nfs/dbraw/zinc/62/69/94/568626994.db2.gz HZGAFVXIKUCGJY-SFHVURJKSA-N 1 0 400.906 3.508 40 0 HHABRO O=C1CCCN1c1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225743707 568670542 /nfs/dbraw/zinc/67/05/42/568670542.db2.gz VQAMZEBWSZBUKC-UHFFFAOYSA-N 1 0 408.571 3.548 40 0 HHABRO O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000260905702 568743822 /nfs/dbraw/zinc/74/38/22/568743822.db2.gz RSQTYRNRDQDHSS-ROUUACIJSA-N 1 0 400.906 3.508 40 0 HHABRO Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)cn1 ZINC000257235650 568786286 /nfs/dbraw/zinc/78/62/86/568786286.db2.gz GYUAUDPDEVMCBM-LYVDORBWSA-N 1 0 404.558 3.874 40 0 HHABRO Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)c1 ZINC000257239464 568787326 /nfs/dbraw/zinc/78/73/26/568787326.db2.gz HPIUHWBZZWDICA-LYVDORBWSA-N 1 0 406.574 3.667 40 0 HHABRO Cc1nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257267286 568794706 /nfs/dbraw/zinc/79/47/06/568794706.db2.gz MGPZKMXPCHIEOA-SFHVURJKSA-N 1 0 400.954 3.803 40 0 HHABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(S(=O)(=O)N4CCCC4)C3)c2)cc1 ZINC000257278413 568798063 /nfs/dbraw/zinc/79/80/63/568798063.db2.gz OCECGMNUIBBAAR-IBGZPJMESA-N 1 0 414.575 3.962 40 0 HHABRO CN(C)C(=O)c1sc2nc([C@]3(C)CCC[N@H+](Cc4cncs4)C3)ccc2c1N ZINC000257290677 568801599 /nfs/dbraw/zinc/80/15/99/568801599.db2.gz QDXAKIPAHXNMFM-HXUWFJFHSA-N 1 0 415.588 3.591 40 0 HHABRO Cn1cc(CN2CCO[C@@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 ZINC000257299387 568804271 /nfs/dbraw/zinc/80/42/71/568804271.db2.gz RPVUVZPRKKIBNM-OAQYLSRUSA-N 1 0 416.447 3.998 40 0 HHABRO O=C1O[C@]2(CC[N@H+](Cc3cccc(Oc4ncccn4)c3)C2)CN1Cc1ccccc1 ZINC000257322370 568811152 /nfs/dbraw/zinc/81/11/52/568811152.db2.gz WFSGUIWWSPHDRT-DEOSSOPVSA-N 1 0 416.481 3.866 40 0 HHABRO CC[NH+](CC)CCCNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000057762016 568860040 /nfs/dbraw/zinc/86/00/40/568860040.db2.gz DLYBBKHHRHGQNW-UHFFFAOYSA-N 1 0 409.578 3.833 40 0 HHABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 ZINC000306131957 568894240 /nfs/dbraw/zinc/89/42/40/568894240.db2.gz KTWFECDFTPNGDY-RBUKOAKNSA-N 1 0 403.482 3.592 40 0 HHABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 ZINC000306131955 568894250 /nfs/dbraw/zinc/89/42/50/568894250.db2.gz KTWFECDFTPNGDY-MOPGFXCFSA-N 1 0 403.482 3.592 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(C)c4)C[C@@H]32)cc1 ZINC000306135521 568897550 /nfs/dbraw/zinc/89/75/50/568897550.db2.gz OTWKLBWLBVLVFO-ZEQRLZLVSA-N 1 0 401.510 3.887 40 0 HHABRO Cn1cc(C[NH+]2CCC3(CC2)Oc2ccccc2-c2ncn(CC4CCC4)c23)cn1 ZINC000306136899 568898780 /nfs/dbraw/zinc/89/87/80/568898780.db2.gz QGFUQGNMWJQJAB-UHFFFAOYSA-N 1 0 403.530 3.967 40 0 HHABRO COc1ccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(-c4ccccc4)nc23)cc1 ZINC000306141255 568902852 /nfs/dbraw/zinc/90/28/52/568902852.db2.gz VPYVXMIWTHXSHG-UHFFFAOYSA-N 1 0 416.525 3.500 40 0 HHABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5cnn(C)c5)C4)nn3c2)c1 ZINC000306142229 568903741 /nfs/dbraw/zinc/90/37/41/568903741.db2.gz WUDCRDMDSMIILJ-HXUWFJFHSA-N 1 0 402.502 3.518 40 0 HHABRO CCOC[C@@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610960 568939736 /nfs/dbraw/zinc/93/97/36/568939736.db2.gz WQIRXLPCLCLVOB-FHWLQOOXSA-N 1 0 414.354 3.915 40 0 HHABRO Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328957909 568969459 /nfs/dbraw/zinc/96/94/59/568969459.db2.gz AMCSZOZFVINVLE-QGZVFWFLSA-N 1 0 410.440 3.675 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329072207 568976052 /nfs/dbraw/zinc/97/60/52/568976052.db2.gz ZVZCYTRHOVREJJ-UHFFFAOYSA-N 1 0 416.451 3.508 40 0 HHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000226260160 569278636 /nfs/dbraw/zinc/27/86/36/569278636.db2.gz JLTJZVMFTXYRRN-UHFFFAOYSA-N 1 0 410.562 3.726 40 0 HHABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000253602493 569318444 /nfs/dbraw/zinc/31/84/44/569318444.db2.gz PASOMSLWCUNAGA-IEBWSBKVSA-N 1 0 418.541 3.625 40 0 HHABRO CC(C)c1ccc(OCc2cc([C@H]3CC[N@H+](Cc4cnc(N(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704498 569347688 /nfs/dbraw/zinc/34/76/88/569347688.db2.gz INXKTKJRFAHERJ-FQEVSTJZSA-N 1 0 420.561 3.958 40 0 HHABRO C[NH+](C)Cc1cnc2ccnn2c1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000019704732 569347803 /nfs/dbraw/zinc/34/78/03/569347803.db2.gz UZIVAOGLPFWIEG-UHFFFAOYSA-N 1 0 411.937 3.539 40 0 HHABRO CCOc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1Br ZINC000107643962 569352829 /nfs/dbraw/zinc/35/28/29/569352829.db2.gz JHQIBMBRLWEGAI-UHFFFAOYSA-N 1 0 418.335 3.852 40 0 HHABRO Cc1ccc(-c2nnn(CC(=O)Nc3cccc(C[NH+]4CCC(C)CC4)c3)n2)cc1 ZINC000141561175 569354836 /nfs/dbraw/zinc/35/48/36/569354836.db2.gz TUJZVYXIGBWMMV-UHFFFAOYSA-N 1 0 404.518 3.519 40 0 HHABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000019756322 569429484 /nfs/dbraw/zinc/42/94/84/569429484.db2.gz FUBXXNVZIJURNG-UHFFFAOYSA-N 1 0 416.569 3.847 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccn2)n1 ZINC000329063369 571304398 /nfs/dbraw/zinc/30/43/98/571304398.db2.gz XDNFJDJAAVIYPL-UHFFFAOYSA-N 1 0 414.460 4.247 40 0 HHABRO CC(C)[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)[nH+]1 ZINC000328973737 571306234 /nfs/dbraw/zinc/30/62/34/571306234.db2.gz FDICZWBALLZGEO-KRWDZBQOSA-N 1 0 405.340 4.157 40 0 HHABRO COC(=O)c1ccc2c(c1)CCN(c1cc(C(C)C)[nH+]c(NCc3ccccc3)n1)C2 ZINC000329071885 571306902 /nfs/dbraw/zinc/30/69/02/571306902.db2.gz ZTFVLVAUZCWTEC-UHFFFAOYSA-N 1 0 416.525 4.561 40 0 HHABRO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCC(C)CC2)c1 ZINC000067870780 291256261 /nfs/dbraw/zinc/25/62/61/291256261.db2.gz PSKDLUKUXSJGJP-IRFCIJBXSA-N 1 0 416.635 3.972 40 0 biogenic,in-vitro HHABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012291588 132358055 /nfs/dbraw/zinc/35/80/55/132358055.db2.gz XKYCCACLFGANQS-DEOSSOPVSA-N 1 0 422.569 3.701 40 0 HHABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(O)(c4cccc(C)c4)CC3)ccc21 ZINC000012291583 132358061 /nfs/dbraw/zinc/35/80/61/132358061.db2.gz WVLXMXUTDIFBCC-DEOSSOPVSA-N 1 0 422.569 3.701 40 0 HHABRO CCOc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)O[C@@H](C)C2 ZINC000072392545 520790431 /nfs/dbraw/zinc/79/04/31/520790431.db2.gz RTGNYWGUDRVXII-DHCLVHEYSA-N 1 0 408.542 3.842 40 0 HHABRO COc1ccc([C@@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)N2CCCC2)cc1 ZINC000040160725 525187029 /nfs/dbraw/zinc/18/70/29/525187029.db2.gz FWCOYFNNVFSUMQ-HDYLNDSGSA-N 1 0 424.585 3.877 40 0 HHABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857163 525210214 /nfs/dbraw/zinc/21/02/14/525210214.db2.gz XRYQCUADEOIDAJ-SFHVURJKSA-N 1 0 414.571 3.813 40 0 HHABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000004231268 557530662 /nfs/dbraw/zinc/53/06/62/557530662.db2.gz SVOPQKHHOINLNJ-UHFFFAOYSA-N 1 0 410.493 3.825 40 0 HHABRO Cc1cccc2cc(CN(CC[NH+]3CCCC3)C(=O)NCc3ccccc3)c(=O)[nH]c12 ZINC000004231194 557530678 /nfs/dbraw/zinc/53/06/78/557530678.db2.gz AFOOZDHRZJAFFL-UHFFFAOYSA-N 1 0 418.541 3.644 40 0 HHABRO CC[NH+](CC)CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000005794612 557674918 /nfs/dbraw/zinc/67/49/18/557674918.db2.gz YOKDLJRVNSYXLD-UHFFFAOYSA-N 1 0 424.950 3.648 40 0 HHABRO O=C(Cn1nnc(-c2ccc(C[NH+]3CCCCC3)cc2)n1)Nc1cccc(Cl)c1 ZINC000035313177 557688918 /nfs/dbraw/zinc/68/89/18/557688918.db2.gz HGQQCJSOBVCABI-UHFFFAOYSA-N 1 0 410.909 3.618 40 0 HHABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000007538470 557745912 /nfs/dbraw/zinc/74/59/12/557745912.db2.gz LCBGAQPZICFQID-UHFFFAOYSA-N 1 0 400.519 3.677 40 0 HHABRO CCOc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1OCC ZINC000007541352 557746381 /nfs/dbraw/zinc/74/63/81/557746381.db2.gz RJBZVTJPUMWXBI-UHFFFAOYSA-N 1 0 413.547 3.732 40 0 HHABRO NC(=O)c1cc([C@H]2CC[N@H+](Cc3cncn3Cc3ccccc3)C2)nc2ccccc21 ZINC000019761911 558276816 /nfs/dbraw/zinc/27/68/16/558276816.db2.gz CJIOAVPYCLDAOF-IBGZPJMESA-N 1 0 411.509 3.568 40 0 HHABRO O=C1N[C@@]2(COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)Nc2ccc(Cl)cc21 ZINC000012085549 558321369 /nfs/dbraw/zinc/32/13/69/558321369.db2.gz ZEQLBXISTIBXFU-QFIPXVFZSA-N 1 0 415.896 3.786 40 0 HHABRO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]CCCc3ccccn3)cc12 ZINC000012147983 558338380 /nfs/dbraw/zinc/33/83/80/558338380.db2.gz WGJDYSGXHNHVLW-UHFFFAOYSA-N 1 0 407.905 3.793 40 0 HHABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccc(F)cc2)C3)c(OCC)n1 ZINC000012181040 558342747 /nfs/dbraw/zinc/34/27/47/558342747.db2.gz JRQOWXLXYVJANP-NHJWOMDBSA-N 1 0 415.509 3.533 40 0 HHABRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C)O ZINC000012185785 558345200 /nfs/dbraw/zinc/34/52/00/558345200.db2.gz XHABJUQWILDQGN-QGZVFWFLSA-N 1 0 407.514 3.909 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3cn(C)c4ccccc34)CC1)C[C@@H]2O ZINC000012293222 558366261 /nfs/dbraw/zinc/36/62/61/558366261.db2.gz LDRJKFZBZHDVFR-GOTSBHOMSA-N 1 0 422.525 3.571 40 0 HHABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012329530 558384177 /nfs/dbraw/zinc/38/41/77/558384177.db2.gz ITQPRZQOEJCCPQ-PKTZIBPZSA-N 1 0 405.494 3.930 40 0 HHABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330256 558385127 /nfs/dbraw/zinc/38/51/27/558385127.db2.gz FBDGYPQGWAGPQE-DNQXCXABSA-N 1 0 423.553 3.958 40 0 HHABRO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039755661 558687504 /nfs/dbraw/zinc/68/75/04/558687504.db2.gz JVRMCDDZIHBFMK-KRWDZBQOSA-N 1 0 400.494 3.630 40 0 HHABRO CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)[NH+](C)C)cc1 ZINC000028296085 558698970 /nfs/dbraw/zinc/69/89/70/558698970.db2.gz IQNSBYXVOKMFSE-OAQYLSRUSA-N 1 0 409.486 3.782 40 0 HHABRO CCCC[NH+](CCCC)CN1C(=O)C(=Cc2ccc(NC(C)=O)cc2)NC1=S ZINC000033493144 558769178 /nfs/dbraw/zinc/76/91/78/558769178.db2.gz NWRZHSNLESRIFN-RGEXLXHISA-N 1 0 402.564 3.562 40 0 HHABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000035586281 558793788 /nfs/dbraw/zinc/79/37/88/558793788.db2.gz NCPYNQDHIIBZIX-SEDAZVQISA-N 1 0 404.595 3.656 40 0 HHABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2c(C)noc2C)cc1 ZINC000036743725 558802496 /nfs/dbraw/zinc/80/24/96/558802496.db2.gz ZOQDXNCYVGMOTR-YADHBBJMSA-N 1 0 405.498 3.698 40 0 HHABRO Cc1cc2nc(C)c(CCC(=O)N[C@H](C[NH+]3CCCCC3)c3ccccc3)c(C)n2n1 ZINC000036752613 558803031 /nfs/dbraw/zinc/80/30/31/558803031.db2.gz DLCOVLUPXBDEKI-HSZRJFAPSA-N 1 0 419.573 3.931 40 0 HHABRO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000019023058 558838247 /nfs/dbraw/zinc/83/82/47/558838247.db2.gz UHGJHIVQJRAHCO-SFHVURJKSA-N 1 0 421.545 3.914 40 0 HHABRO Cc1cc(-c2cnc(N3CCCCC3)nc2C2CC[NH+](C[C@@H]3CCOC3)CC2)on1 ZINC000019123217 558844025 /nfs/dbraw/zinc/84/40/25/558844025.db2.gz TXEIVWKSHLVPHT-SFHVURJKSA-N 1 0 411.550 3.646 40 0 HHABRO Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019209720 558847958 /nfs/dbraw/zinc/84/79/58/558847958.db2.gz YWHNCRFMMXMLFY-NRFANRHFSA-N 1 0 408.546 3.553 40 0 HHABRO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000019235045 558854207 /nfs/dbraw/zinc/85/42/07/558854207.db2.gz QCCTZVFHOQVKCB-AREMUKBSSA-N 1 0 415.537 3.617 40 0 HHABRO Cc1cccc(C[N@H+]2CCN(C)C(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)n1 ZINC000019236288 558855381 /nfs/dbraw/zinc/85/53/81/558855381.db2.gz RJHMSSCWLFLZSO-QHCPKHFHSA-N 1 0 400.526 3.585 40 0 HHABRO O=C(N[C@@H]1CCCOC1)c1cc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)no1 ZINC000019293394 558865159 /nfs/dbraw/zinc/86/51/59/558865159.db2.gz RFYRECRWMTZDPJ-GOSISDBHSA-N 1 0 403.910 3.616 40 0 HHABRO O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019370217 558878423 /nfs/dbraw/zinc/87/84/23/558878423.db2.gz KMBYROMYCPWRFP-JOCHJYFZSA-N 1 0 420.557 3.779 40 0 HHABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000019370432 558878649 /nfs/dbraw/zinc/87/86/49/558878649.db2.gz VHUKIOAFRUQMCY-RUZDIDTESA-N 1 0 400.526 3.789 40 0 HHABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019370394 558878717 /nfs/dbraw/zinc/87/87/17/558878717.db2.gz IKGONPDUUWLZKG-DHLKQENFSA-N 1 0 400.526 3.789 40 0 HHABRO O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC000019400255 558882858 /nfs/dbraw/zinc/88/28/58/558882858.db2.gz AANAMJSOTCKBGL-CQOQZXRMSA-N 1 0 416.500 3.746 40 0 HHABRO O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000019401854 558883730 /nfs/dbraw/zinc/88/37/30/558883730.db2.gz STXMSRYLSKHHNB-HJOGWXRNSA-N 1 0 416.500 3.746 40 0 HHABRO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019449522 558888037 /nfs/dbraw/zinc/88/80/37/558888037.db2.gz JCYYYGUPUMKCFS-AREMUKBSSA-N 1 0 419.569 3.855 40 0 HHABRO CC[C@@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019499822 558897736 /nfs/dbraw/zinc/89/77/36/558897736.db2.gz ADSQQGFMIKJEGU-CVEARBPZSA-N 1 0 414.575 3.554 40 0 HHABRO CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019499845 558897834 /nfs/dbraw/zinc/89/78/34/558897834.db2.gz IGIJKYZXMNJXEO-OXJNMPFZSA-N 1 0 400.567 3.830 40 0 HHABRO CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019499870 558898103 /nfs/dbraw/zinc/89/81/03/558898103.db2.gz IISGUXOPNHOGQP-FCULAJGNSA-N 1 0 400.567 3.829 40 0 HHABRO CCCOc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1cccnc1)OCO2 ZINC000019503825 558900833 /nfs/dbraw/zinc/90/08/33/558900833.db2.gz OPBQUAMMHYIPRV-VXMMSVGHSA-N 1 0 410.514 3.719 40 0 HHABRO CCCOc1cc2c(cc1C[N@H+]1C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C1)OCO2 ZINC000019503844 558900891 /nfs/dbraw/zinc/90/08/91/558900891.db2.gz SNZXAAOQVQHPTB-YIGJPRQDSA-N 1 0 410.514 3.637 40 0 HHABRO CCn1cc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 ZINC000019524904 558906152 /nfs/dbraw/zinc/90/61/52/558906152.db2.gz NIIKLIXVLTWDNR-VWLOTQADSA-N 1 0 417.557 3.536 40 0 HHABRO CC[NH+](CC)[C@@H](CNC(=O)c1nn2cccnc2c1Cl)c1ccccc1Cl ZINC000019526292 558907664 /nfs/dbraw/zinc/90/76/64/558907664.db2.gz OYYWXVNXNCURLI-HNNXBMFYSA-N 1 0 406.317 3.849 40 0 HHABRO CCN1CC[N@H+](Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527399 558908582 /nfs/dbraw/zinc/90/85/82/558908582.db2.gz BWSUURNNFUUOSR-DEOSSOPVSA-N 1 0 414.553 3.975 40 0 HHABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccncc2)C1 ZINC000019529185 558910815 /nfs/dbraw/zinc/91/08/15/558910815.db2.gz BDPUQGFWWMDDQZ-VWLOTQADSA-N 1 0 400.526 3.715 40 0 HHABRO COc1cc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc(OC)c1OC ZINC000019549711 558914430 /nfs/dbraw/zinc/91/44/30/558914430.db2.gz VQUWSCAWAKBANY-UHFFFAOYSA-N 1 0 410.474 3.537 40 0 HHABRO Cc1sc2ncn(CC3(O)CC[NH+](CCCc4ccccc4)CC3)c(=O)c2c1C ZINC000019561506 558922260 /nfs/dbraw/zinc/92/22/60/558922260.db2.gz KRCGYIDAXHCTLD-UHFFFAOYSA-N 1 0 411.571 3.535 40 0 HHABRO CC[C@@H](C)C[N@@H+]1CCC[C@H](C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)C1 ZINC000072334315 558935300 /nfs/dbraw/zinc/93/53/00/558935300.db2.gz ASAWMYHRLAUDGZ-CTNGQTDRSA-N 1 0 400.563 3.715 40 0 HHABRO Cc1noc(C)c1Cc1c(C)onc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019580945 558936643 /nfs/dbraw/zinc/93/66/43/558936643.db2.gz ODJGAWCQCFVWPT-GOSISDBHSA-N 1 0 400.523 3.659 40 0 HHABRO CC(C)(C)c1nc2c(nnn2C2CC[NH+](Cc3ccccc3Cl)CC2)c(=O)[nH]1 ZINC000072337620 558937799 /nfs/dbraw/zinc/93/77/99/558937799.db2.gz FMJWANILTBHLLB-UHFFFAOYSA-N 1 0 400.914 3.715 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000072337783 558938084 /nfs/dbraw/zinc/93/80/84/558938084.db2.gz DZBKPGVPPVYZQS-NQIIRXRSSA-N 1 0 422.554 3.930 40 0 HHABRO O=C(c1cc([C@@H]2C[N@H+](CC3CCCCC3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352688 558949250 /nfs/dbraw/zinc/94/92/50/558949250.db2.gz YMKVSWPKJBKKAS-DEOSSOPVSA-N 1 0 423.557 3.661 40 0 HHABRO Cc1nccn1C[C@H]1CCC[N@H+](Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656967 558949737 /nfs/dbraw/zinc/94/97/37/558949737.db2.gz VTMIBDFSEDRLKO-SFHVURJKSA-N 1 0 404.493 3.953 40 0 HHABRO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@@H+](CC(=O)N4CCC(C)CC4)C3)nc2)n1 ZINC000072353277 558950212 /nfs/dbraw/zinc/95/02/12/558950212.db2.gz GMEGZTCTFXQYND-FQEVSTJZSA-N 1 0 422.577 3.670 40 0 HHABRO O=C(CCC[NH+]1CCCCCC1)N1CCC[C@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000072353405 558950488 /nfs/dbraw/zinc/95/04/88/558950488.db2.gz OQXFIXUHLHXFMN-FQEVSTJZSA-N 1 0 422.577 3.977 40 0 HHABRO COc1ccccc1CN(C(=O)c1cn2cc(Cl)ccc2n1)C1CC[NH+](C)CC1 ZINC000019660752 558951957 /nfs/dbraw/zinc/95/19/57/558951957.db2.gz LUVYJDHFNLRTHT-UHFFFAOYSA-N 1 0 412.921 3.733 40 0 HHABRO O=C(c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccncc2)C1)N1CCOCC1 ZINC000072356007 558952709 /nfs/dbraw/zinc/95/27/09/558952709.db2.gz BKSBNNTYUGSTKF-GOSISDBHSA-N 1 0 407.539 3.758 40 0 HHABRO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCC1 ZINC000072358561 558954032 /nfs/dbraw/zinc/95/40/32/558954032.db2.gz KCUVEHBODNOMFQ-QGZVFWFLSA-N 1 0 418.463 3.964 40 0 HHABRO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCC1 ZINC000072358562 558954141 /nfs/dbraw/zinc/95/41/41/558954141.db2.gz KCUVEHBODNOMFQ-KRWDZBQOSA-N 1 0 418.463 3.964 40 0 HHABRO Cc1c(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+](C)C)cccc1N1CCOCC1 ZINC000019664163 558954879 /nfs/dbraw/zinc/95/48/79/558954879.db2.gz COIGSYDWGGFGBB-NRFANRHFSA-N 1 0 401.938 3.518 40 0 HHABRO O=C(C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCC1 ZINC000072359395 558955006 /nfs/dbraw/zinc/95/50/06/558955006.db2.gz DXCGORAUJXHYES-QGZVFWFLSA-N 1 0 418.463 3.964 40 0 HHABRO Cc1cc(Cc2cccc(F)c2)cc([C@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000072374778 558962759 /nfs/dbraw/zinc/96/27/59/558962759.db2.gz HNFGVJWSKXISCV-NRFANRHFSA-N 1 0 405.521 3.965 40 0 HHABRO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374906 558962878 /nfs/dbraw/zinc/96/28/78/558962878.db2.gz PFMWMUUWCIXXNQ-GOSISDBHSA-N 1 0 417.579 3.603 40 0 HHABRO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](CCCc4ccccc4)C3)n2)ncn1 ZINC000072377919 558967138 /nfs/dbraw/zinc/96/71/38/558967138.db2.gz NLUNTYHGDMLKFW-IBGZPJMESA-N 1 0 403.534 3.864 40 0 HHABRO Cn1c(CNc2n[nH]c3nc([C@@H]4CCC[NH2+]4)cc(C(F)(F)F)c23)nc2ccccc21 ZINC000072380744 558968993 /nfs/dbraw/zinc/96/89/93/558968993.db2.gz ALRODYKVCLUMLA-LBPRGKRZSA-N 1 0 415.423 3.900 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 ZINC000072391331 558971378 /nfs/dbraw/zinc/97/13/78/558971378.db2.gz RKPXXPBKAUEWLC-HXUWFJFHSA-N 1 0 403.530 3.993 40 0 HHABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(Cl)cc4Cl)C[C@H]32)c(OC)n1 ZINC000072392598 558972309 /nfs/dbraw/zinc/97/23/09/558972309.db2.gz XWQULQPHHBOMCT-BXJCWQANSA-N 1 0 424.328 3.530 40 0 HHABRO COc1ccc2c(c1)c([C@@H]1CN(Cc3ccc(OC)cc3OC)C[C@H]1[NH+](C)C)cn2C ZINC000072395535 558974305 /nfs/dbraw/zinc/97/43/05/558974305.db2.gz ISRYHUPUEWKXDG-LADGPHEKSA-N 1 0 423.557 3.734 40 0 HHABRO CCn1nc([C@H](C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c2ccccc2c1=O ZINC000019716949 558979243 /nfs/dbraw/zinc/97/92/43/558979243.db2.gz TVXRRODGQYNQHJ-IBGZPJMESA-N 1 0 424.589 3.825 40 0 HHABRO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3cncs3)CC2)nc2ccccn12 ZINC000585100716 559024279 /nfs/dbraw/zinc/02/42/79/559024279.db2.gz UQQVPSOYVWBWKV-JOCHJYFZSA-N 1 0 409.559 3.647 40 0 HHABRO CC(C)n1cc(C[N@@H+]2CCC[C@@]3(C[C@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102405 559026149 /nfs/dbraw/zinc/02/61/49/559026149.db2.gz HFWWMCABYRSAPF-JTHBVZDNSA-N 1 0 412.534 3.514 40 0 HHABRO Cc1ccc(CC(=O)N2CCC[C@]3(C2)C[N@H+](C)Cc2c(-c4ccccc4)ncn23)cc1 ZINC000585107264 559027751 /nfs/dbraw/zinc/02/77/51/559027751.db2.gz RZPKXUVAJBLQCA-AREMUKBSSA-N 1 0 414.553 3.864 40 0 HHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053104 559092946 /nfs/dbraw/zinc/09/29/46/559092946.db2.gz GRJCHWHTOJDEMI-FQEVSTJZSA-N 1 0 405.542 3.899 40 0 HHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053224 559093068 /nfs/dbraw/zinc/09/30/68/559093068.db2.gz OJUVJBRIIFFFSW-FQEVSTJZSA-N 1 0 405.542 3.995 40 0 HHABRO CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056033 559093706 /nfs/dbraw/zinc/09/37/06/559093706.db2.gz GENNUOJIUBQIEA-REWPJTCUSA-N 1 0 400.494 3.696 40 0 HHABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3cnn(C)c3)CC1)nc2-c1cnn(C)c1 ZINC000096100047 559095420 /nfs/dbraw/zinc/09/54/20/559095420.db2.gz STFQESWKZLMQPT-UHFFFAOYSA-N 1 0 418.549 3.526 40 0 HHABRO O=S1(=O)c2ccccc2O[C@H]2CC[N@@H+](Cc3ccccc3)CC[C@@H]2N1CC1CC1 ZINC000096145898 559097647 /nfs/dbraw/zinc/09/76/47/559097647.db2.gz YOHBWYOTXJSVMY-SFTDATJTSA-N 1 0 412.555 3.513 40 0 HHABRO CC(C)n1c2cc(C(=O)N3CCC([NH+](C)C)CC3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096146421 559097875 /nfs/dbraw/zinc/09/78/75/559097875.db2.gz VAEJKIDGXOLUMG-UHFFFAOYSA-N 1 0 423.561 3.873 40 0 HHABRO CCC(CC)NC(=O)c1cnc(-c2noc3cc(N4CC[NH+](C)CC4)ccc32)s1 ZINC000096154611 559099029 /nfs/dbraw/zinc/09/90/29/559099029.db2.gz ZSQYFKTUJCFICN-UHFFFAOYSA-N 1 0 413.547 3.622 40 0 HHABRO C[NH+](C)C1CCN(C(=O)c2cc(-c3cn(-c4ccccc4)cn3)n3ccccc23)CC1 ZINC000096154930 559099263 /nfs/dbraw/zinc/09/92/63/559099263.db2.gz IGMTVVCZJFHCTR-UHFFFAOYSA-N 1 0 413.525 3.958 40 0 HHABRO O=C(NCCc1cccs1)c1ccc2ccc(N3CC[NH+](CC4CC4)CC3)n2c1 ZINC000096267356 559108130 /nfs/dbraw/zinc/10/81/30/559108130.db2.gz QHBIWIOHVVAVBD-UHFFFAOYSA-N 1 0 408.571 3.505 40 0 HHABRO COCCc1ncc(C[NH+]2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585262546 559111078 /nfs/dbraw/zinc/11/10/78/559111078.db2.gz DXMPKPHUVBCLPL-UHFFFAOYSA-N 1 0 424.574 3.949 40 0 HHABRO CC(=O)N1CCCC[C@H]2[N@H+](CC3(O)CCN(c4cccc(C)c4)CC3)CCC[C@@]21C ZINC000585263005 559111712 /nfs/dbraw/zinc/11/17/12/559111712.db2.gz UMXNVTIUWSQVDF-RPWUZVMVSA-N 1 0 413.606 3.582 40 0 HHABRO Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)C4([NH3+])CCCCC4)CC3)n2)s1 ZINC000585263508 559111934 /nfs/dbraw/zinc/11/19/34/559111934.db2.gz PDGCYSAFUWRLLB-UHFFFAOYSA-N 1 0 414.579 3.661 40 0 HHABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000585270388 559116347 /nfs/dbraw/zinc/11/63/47/559116347.db2.gz VSSARWZZIVUIIC-JOCHJYFZSA-N 1 0 422.525 3.931 40 0 HHABRO Cc1cnn(CCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)c1 ZINC000585271710 559117527 /nfs/dbraw/zinc/11/75/27/559117527.db2.gz BQSKDVZZPPOMMS-VWLOTQADSA-N 1 0 421.541 3.676 40 0 HHABRO COc1cccc(C[NH2+][C@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)c1 ZINC000100744450 559139539 /nfs/dbraw/zinc/13/95/39/559139539.db2.gz UOIXGXSQJGFBAW-QHCPKHFHSA-N 1 0 403.486 3.992 40 0 HHABRO [NH3+][C@H](C(=O)NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000072380004 559186534 /nfs/dbraw/zinc/18/65/34/559186534.db2.gz ANMSEIJIPACNNM-IRZJEQJZSA-N 1 0 416.529 3.705 40 0 HHABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCCc2ccccc2)CC1 ZINC000257249392 559284540 /nfs/dbraw/zinc/28/45/40/559284540.db2.gz JICHUYNSUNDKQO-VWLOTQADSA-N 1 0 410.558 3.604 40 0 HHABRO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002422450 560560006 /nfs/dbraw/zinc/56/00/06/560560006.db2.gz ANGKSUGPKQOCDU-QKFKETGDSA-N 1 0 413.518 3.802 40 0 HHABRO CC[NH+](CC)CCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NCC(C)C ZINC000004133803 560600764 /nfs/dbraw/zinc/60/07/64/560600764.db2.gz PFOZVFKNPDRJCR-UHFFFAOYSA-N 1 0 416.635 3.819 40 0 HHABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1 ZINC000004231293 560603087 /nfs/dbraw/zinc/60/30/87/560603087.db2.gz OFJUMVZMRWOKIU-UHFFFAOYSA-N 1 0 408.502 3.523 40 0 HHABRO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1 ZINC000004231296 560603089 /nfs/dbraw/zinc/60/30/89/560603089.db2.gz MRIRLQZAOLNWKR-UHFFFAOYSA-N 1 0 422.529 3.913 40 0 HHABRO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000004858896 560612595 /nfs/dbraw/zinc/61/25/95/560612595.db2.gz BNLQOPBEZCZKFT-UHFFFAOYSA-N 1 0 403.530 3.981 40 0 HHABRO CC[NH+](CC)CCNc1c2c(nc3cc(-c4ccc(OC)c(OC)c4)nn31)CCC2 ZINC000004966225 560621577 /nfs/dbraw/zinc/62/15/77/560621577.db2.gz XQHLIPHLPQRWQA-UHFFFAOYSA-N 1 0 409.534 3.656 40 0 HHABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 ZINC000409072829 560673489 /nfs/dbraw/zinc/67/34/89/560673489.db2.gz SQKNWTGXSALXDK-KSYIGNPDSA-O 1 0 418.904 3.665 40 0 HHABRO Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409389567 560720438 /nfs/dbraw/zinc/72/04/38/560720438.db2.gz CAQJKTHVUZXSFO-MTJSOVHGSA-N 1 0 400.507 3.876 40 0 HHABRO 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 560726544 /nfs/dbraw/zinc/72/65/44/560726544.db2.gz HBIHILGQENLYSC-ZGXWSNOMSA-N 1 0 407.599 3.698 40 0 HHABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540314 560751563 /nfs/dbraw/zinc/75/15/63/560751563.db2.gz RFJVDPJNHCZLNS-UHFFFAOYSA-N 1 0 407.518 3.981 40 0 HHABRO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000014671951 560847781 /nfs/dbraw/zinc/84/77/81/560847781.db2.gz YWEPKAIIHAQMJQ-GOSISDBHSA-N 1 0 402.281 3.939 40 0 HHABRO COc1cccc(-c2noc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)n2)c1 ZINC000219240258 568488395 /nfs/dbraw/zinc/48/83/95/568488395.db2.gz CMJHFBVOTNDGPK-QGZVFWFLSA-N 1 0 420.513 3.907 40 0 HHABRO CCCC[C@H](c1nnnn1Cc1ccco1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000057671217 568495142 /nfs/dbraw/zinc/49/51/42/568495142.db2.gz SJCPZAAJGWNIPB-OAQYLSRUSA-N 1 0 408.550 3.985 40 0 HHABRO Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223260274 568542951 /nfs/dbraw/zinc/54/29/51/568542951.db2.gz VZDXQFVJEKVPQP-YADHBBJMSA-N 1 0 405.571 3.715 40 0 HHABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccco1 ZINC000223259130 568542997 /nfs/dbraw/zinc/54/29/97/568542997.db2.gz TXUTUYUQGYDOOH-VXKWHMMOSA-N 1 0 423.586 3.675 40 0 HHABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccncc1 ZINC000223487393 568550258 /nfs/dbraw/zinc/55/02/58/568550258.db2.gz NAKSDBNTCUZNMP-FGZHOGPDSA-N 1 0 412.522 3.835 40 0 HHABRO O=S(=O)(Cc1cccc(Br)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800978 568597414 /nfs/dbraw/zinc/59/74/14/568597414.db2.gz KXAUJEHRCQBVIQ-UHFFFAOYSA-N 1 0 423.376 3.665 40 0 HHABRO CCNC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440416 568638047 /nfs/dbraw/zinc/63/80/47/568638047.db2.gz QBDRIOCSRORUPR-UHFFFAOYSA-N 1 0 414.553 3.930 40 0 HHABRO COc1cc(CC[NH2+]Cc2ccccc2F)c(OC)cc1I ZINC000095705074 568644333 /nfs/dbraw/zinc/64/43/33/568644333.db2.gz LPBKNBHMWRBPHT-UHFFFAOYSA-N 1 0 415.246 3.780 40 0 in-vitro HHABRO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901351 568684432 /nfs/dbraw/zinc/68/44/32/568684432.db2.gz FVJPFWLLWVUKIF-FQEVSTJZSA-N 1 0 421.570 3.592 40 0 HHABRO Cn1c(C(=O)NC[C@@H]2CC3(CC[NH+](Cc4ccsc4)CC3)O2)cc2ccccc21 ZINC000248095638 568747460 /nfs/dbraw/zinc/74/74/60/568747460.db2.gz XYGAKLCRZGYJAU-IBGZPJMESA-N 1 0 409.555 3.793 40 0 HHABRO Cc1cccc2nc(C(=O)N3[C@@H]4CCC[C@@H]5[NH2+][C@@H](C[C@@]54C)[C@@H]3Cc3ccccc3)cn21 ZINC000257203564 568777216 /nfs/dbraw/zinc/77/72/16/568777216.db2.gz AQRGFADJBYJHOQ-UAGMDNNXSA-N 1 0 414.553 3.999 40 0 HHABRO CN(C(=O)C[NH+]1CCC(c2cccc(Nc3ncccn3)n2)CC1)C1CCCCC1 ZINC000257206477 568778173 /nfs/dbraw/zinc/77/81/73/568778173.db2.gz BDQWQKGZNVPLQD-UHFFFAOYSA-N 1 0 408.550 3.586 40 0 HHABRO Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@H+](CC(c3ccccc3)c3ccccc3)CC1)O2 ZINC000257208580 568778741 /nfs/dbraw/zinc/77/87/41/568778741.db2.gz BMTCMCHDWULQHG-VWLOTQADSA-N 1 0 415.541 3.633 40 0 HHABRO CC[N@@H+]1CC[C@@H](CNC(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)C1 ZINC000257233603 568785667 /nfs/dbraw/zinc/78/56/67/568785667.db2.gz GPXDCHWRIBFLMH-NRFANRHFSA-N 1 0 407.558 3.546 40 0 HHABRO Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)[nH+]1 ZINC000257239635 568787526 /nfs/dbraw/zinc/78/75/26/568787526.db2.gz HQEJIECQYRNACO-LBPRGKRZSA-N 1 0 404.446 3.811 40 0 HHABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)cn1 ZINC000257251653 568790726 /nfs/dbraw/zinc/79/07/26/568790726.db2.gz JRPHEKOPDFRTIP-SFHVURJKSA-N 1 0 424.574 3.949 40 0 HHABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)c2)cc1 ZINC000257278414 568798164 /nfs/dbraw/zinc/79/81/64/568798164.db2.gz OCECGMNUIBBAAR-LJQANCHMSA-N 1 0 414.575 3.962 40 0 HHABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cncn4C)CC3)CO[C@H]21 ZINC000257305024 568805849 /nfs/dbraw/zinc/80/58/49/568805849.db2.gz SOCZEWMBAPTODP-PZJWPPBQSA-N 1 0 411.546 3.960 40 0 HHABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257310552 568807503 /nfs/dbraw/zinc/80/75/03/568807503.db2.gz UFOUFWDNQXYDCD-MRXNPFEDSA-N 1 0 422.510 3.991 40 0 HHABRO COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H]([NH3+])CC(C)C)CC[C@H]3O[C@@H]21 ZINC000257335475 568814846 /nfs/dbraw/zinc/81/48/46/568814846.db2.gz YKHSNSUQEYZNCM-RZDNYABWSA-N 1 0 416.562 3.534 40 0 HHABRO c1[nH]nc(-c2ccccc2)c1CN1CCO[C@@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306131949 568894202 /nfs/dbraw/zinc/89/42/02/568894202.db2.gz KTSYEJGMZKFOCG-NOZRDPDXSA-N 1 0 417.557 3.775 40 0 HHABRO C[N@@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000306134477 568896550 /nfs/dbraw/zinc/89/65/50/568896550.db2.gz NOYODNDISOLXIU-LYGPYEHVSA-N 1 0 423.601 3.737 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@H]32)cc1 ZINC000306134828 568896726 /nfs/dbraw/zinc/89/67/26/568896726.db2.gz NZFNHQRYYVTVMS-DHIUTWEWSA-N 1 0 405.473 3.717 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)cc1 ZINC000306135299 568897336 /nfs/dbraw/zinc/89/73/36/568897336.db2.gz OMUQLEYOJJWADV-QHCPKHFHSA-N 1 0 405.523 3.956 40 0 HHABRO CCc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306137666 568899553 /nfs/dbraw/zinc/89/95/53/568899553.db2.gz RCTCCDNDTHMQGQ-FGZHOGPDSA-N 1 0 406.555 3.897 40 0 HHABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)c2ncccc21 ZINC000306141765 568903276 /nfs/dbraw/zinc/90/32/76/568903276.db2.gz WFRFINUVBPHIHR-QHCPKHFHSA-N 1 0 419.506 3.676 40 0 HHABRO COc1cccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306143900 568905137 /nfs/dbraw/zinc/90/51/37/568905137.db2.gz YQCVWYAJPQQNCV-RDGATRHJSA-N 1 0 422.573 3.701 40 0 HHABRO [NH3+]C[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218240886 568928756 /nfs/dbraw/zinc/92/87/56/568928756.db2.gz SXWKMLYESVXEBA-ARFHVFGLSA-N 1 0 400.725 3.617 40 0 HHABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218625168 568942079 /nfs/dbraw/zinc/94/20/79/568942079.db2.gz RQRWOMWEVYHYQF-HKBOAZHASA-N 1 0 407.963 3.824 40 0 HHABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328965229 568970039 /nfs/dbraw/zinc/97/00/39/568970039.db2.gz CAYDSQGJSQRISQ-KRWDZBQOSA-N 1 0 405.340 3.539 40 0 HHABRO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000329020803 568973103 /nfs/dbraw/zinc/97/31/03/568973103.db2.gz OCTLYVROWIWUCB-UHFFFAOYSA-N 1 0 410.953 3.760 40 0 HHABRO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000329057225 568974953 /nfs/dbraw/zinc/97/49/53/568974953.db2.gz VWDOHPDNTWJBNM-CYBMUJFWSA-N 1 0 405.340 3.718 40 0 HHABRO COc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000027531074 569047400 /nfs/dbraw/zinc/04/74/00/569047400.db2.gz WZAIYJULKDBJGU-OAQYLSRUSA-N 1 0 412.574 3.550 40 0 HHABRO CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)[N@@H+]2CCCC[C@H]2C)n1C ZINC000248018162 569316007 /nfs/dbraw/zinc/31/60/07/569316007.db2.gz HBZOVRZEMGDEEB-NZSAHSFTSA-N 1 0 413.591 3.816 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019565051 569345609 /nfs/dbraw/zinc/34/56/09/569345609.db2.gz CCFVDMDIPDHLOZ-GBXCKJPGSA-N 1 0 416.525 3.869 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000019560959 569345678 /nfs/dbraw/zinc/34/56/78/569345678.db2.gz XNXDUYBJVOOIQD-FXAWDEMLSA-N 1 0 415.559 3.640 40 0 HHABRO CC[NH+]1CCC(CC(=O)N2CCO[C@@H](c3ccc(-c4cccc(OC)c4)cn3)C2)CC1 ZINC000019693550 569346492 /nfs/dbraw/zinc/34/64/92/569346492.db2.gz VTJQATUOOQCPHX-XMMPIXPASA-N 1 0 423.557 3.779 40 0 HHABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](c3c4cccnc4sc3C(N)=O)C1)CO2 ZINC000019702233 569347424 /nfs/dbraw/zinc/34/74/24/569347424.db2.gz BNUWAXJKFRHULB-HNNXBMFYSA-N 1 0 421.522 3.669 40 0 HHABRO CNc1ncccc1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccc(OC)cc1 ZINC000019713830 569348483 /nfs/dbraw/zinc/34/84/83/569348483.db2.gz UVFZRBXOEJEVCI-YADHBBJMSA-N 1 0 408.546 3.678 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccncc2)n1 ZINC000329023444 571304518 /nfs/dbraw/zinc/30/45/18/571304518.db2.gz OTMHYCDOESNJOM-UHFFFAOYSA-N 1 0 414.460 4.247 40 0 HHABRO O=c1ccc(-c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(CO)o2)C1 ZINC000020503389 575369737 /nfs/dbraw/zinc/36/97/37/575369737.db2.gz AMMWOZJLFSWODK-DOTOQJQBSA-N 1 0 410.901 3.873 40 0 biogenic,in-vitro HHABRO CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CCN(C)CC3)C2(C)C)no1)Cc1ccccc1 ZINC000067889953 291250712 /nfs/dbraw/zinc/25/07/12/291250712.db2.gz XITFHLMMWYFECE-YKSBVNFPSA-N 1 0 410.606 3.948 40 0 biogenic,in-vitro HHABRO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4C(C)C)n3)cn2)cc1 ZINC000049155267 291254678 /nfs/dbraw/zinc/25/46/78/291254678.db2.gz UFNDYFWYKSIONN-SFHVURJKSA-N 1 0 407.474 3.938 40 0 biogenic,in-vitro HHABRO Cc1cc(-c2cnc(N3CCCCC3)nc2C2CC[NH+](C[C@H]3CCOC3)CC2)on1 ZINC000019123221 132466403 /nfs/dbraw/zinc/46/64/03/132466403.db2.gz TXEIVWKSHLVPHT-GOSISDBHSA-N 1 0 411.550 3.646 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccncc2)n1 ZINC000329056029 524055780 /nfs/dbraw/zinc/05/57/80/524055780.db2.gz VQJOCFDLKAMNAD-UHFFFAOYSA-N 1 0 417.344 3.796 40 0 HHABRO Cc1cc(C)n(CCC(=O)N2C[C@@H]3CCCC[N@H+](CCc4ccc(F)cc4)[C@@H]3C2)n1 ZINC000072330672 524517252 /nfs/dbraw/zinc/51/72/52/524517252.db2.gz HJYMBQCLOMHLGU-JTHBVZDNSA-N 1 0 412.553 3.585 40 0 HHABRO C[C@@H]1S[C@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2ccccc2)C1=O ZINC000001585158 557274097 /nfs/dbraw/zinc/27/40/97/557274097.db2.gz HAOMKHJWGUGOKJ-SBUREZEXSA-N 1 0 407.539 3.798 40 0 HHABRO C[C@@H]([NH2+]Cc1ccccc1OCC(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004599703 557571216 /nfs/dbraw/zinc/57/12/16/557571216.db2.gz BUPRKTWHKSPPBA-YHLJFGAHSA-N 1 0 412.574 3.619 40 0 HHABRO CN1CN(c2ccccc2)C2(CC[NH+](CCC[C@@H]3Cc4ccccc4O3)CC2)C1=O ZINC000005010842 557625317 /nfs/dbraw/zinc/62/53/17/557625317.db2.gz MFIMWTJHRRPOPK-JOCHJYFZSA-N 1 0 405.542 3.541 40 0 HHABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766361 558278714 /nfs/dbraw/zinc/27/87/14/558278714.db2.gz OIKNLGPTBFFIFD-HXUWFJFHSA-N 1 0 419.504 3.629 40 0 HHABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000012185782 558345213 /nfs/dbraw/zinc/34/52/13/558345213.db2.gz QGEBPGWUHATCBW-SFHVURJKSA-N 1 0 420.561 3.947 40 0 HHABRO COc1ccc2c(c1)C=C(C[NH+]1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)CO2 ZINC000012219470 558354994 /nfs/dbraw/zinc/35/49/94/558354994.db2.gz QUZMRPMGFTVTBQ-UHFFFAOYSA-N 1 0 410.489 3.738 40 0 HHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3cn(C)c4ccccc34)CC1)C[C@H]2O ZINC000012293220 558366195 /nfs/dbraw/zinc/36/61/95/558366195.db2.gz LDRJKFZBZHDVFR-DHIUTWEWSA-N 1 0 422.525 3.571 40 0 HHABRO CC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329384 558384029 /nfs/dbraw/zinc/38/40/29/558384029.db2.gz BTORJSRZHAVUOV-PKTZIBPZSA-N 1 0 424.541 3.646 40 0 HHABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330299 558385387 /nfs/dbraw/zinc/38/53/87/558385387.db2.gz DIPNPKADAGYUON-GOTSBHOMSA-N 1 0 409.526 3.655 40 0 HHABRO COC(=O)Cn1c(C)c(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012344258 558386503 /nfs/dbraw/zinc/38/65/03/558386503.db2.gz NNLUKIYWYIZBCN-UHFFFAOYSA-N 1 0 422.525 3.615 40 0 HHABRO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000012365820 558388270 /nfs/dbraw/zinc/38/82/70/558388270.db2.gz ITGGQNYEZHBJLS-KXBFYZLASA-N 1 0 403.548 3.640 40 0 HHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000022527437 558496116 /nfs/dbraw/zinc/49/61/16/558496116.db2.gz HSKLZGJDEQQBFS-UHFFFAOYSA-N 1 0 409.939 3.806 40 0 HHABRO O=C(NCCC[NH+]1CCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000013674465 558563851 /nfs/dbraw/zinc/56/38/51/558563851.db2.gz NPCOUWYIBAJKKE-DEOSSOPVSA-N 1 0 423.582 3.677 40 0 HHABRO COCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000030757058 558737398 /nfs/dbraw/zinc/73/73/98/558737398.db2.gz JPTRRVKTJKPJTK-SFHVURJKSA-N 1 0 409.530 3.547 40 0 HHABRO O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038831676 558816845 /nfs/dbraw/zinc/81/68/45/558816845.db2.gz DHLWTEIBZJRTDK-UHFFFAOYSA-N 1 0 421.585 3.825 40 0 HHABRO O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014801 558836813 /nfs/dbraw/zinc/83/68/13/558836813.db2.gz WAHJMYBYWFGFNG-NRFANRHFSA-N 1 0 412.578 3.562 40 0 HHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3ccsc3)C1)O2 ZINC000019019604 558837528 /nfs/dbraw/zinc/83/75/28/558837528.db2.gz UDXSLKIBBDLZKJ-GCJKJVERSA-N 1 0 400.544 3.778 40 0 HHABRO CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000019020010 558837579 /nfs/dbraw/zinc/83/75/79/558837579.db2.gz VJMOAWYZPUDJCW-FGZHOGPDSA-N 1 0 403.542 3.650 40 0 HHABRO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000019023055 558838164 /nfs/dbraw/zinc/83/81/64/558838164.db2.gz UHGJHIVQJRAHCO-GOSISDBHSA-N 1 0 421.545 3.914 40 0 HHABRO CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019081349 558839575 /nfs/dbraw/zinc/83/95/75/558839575.db2.gz ZWRJTHSCOANGQM-LJQANCHMSA-N 1 0 400.567 3.830 40 0 HHABRO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@H+](Cc4ccccn4)C3)on2)cc1 ZINC000019212267 558848782 /nfs/dbraw/zinc/84/87/82/558848782.db2.gz GKPRDTWFISOCDG-RUZDIDTESA-N 1 0 418.541 3.958 40 0 HHABRO COc1c(C)cccc1C[N@@H+]1CC[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019235895 558854959 /nfs/dbraw/zinc/85/49/59/558854959.db2.gz IKHZIMJUJLKXRG-SANMLTNESA-N 1 0 415.537 3.986 40 0 HHABRO Cc1cccc(C[N@H+]2CC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000019236142 558855174 /nfs/dbraw/zinc/85/51/74/558855174.db2.gz LYXVYRMPVXOFOY-AREMUKBSSA-N 1 0 414.553 3.975 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236138 558855182 /nfs/dbraw/zinc/85/51/82/558855182.db2.gz COEYZMAXCGKPEV-RUZDIDTESA-N 1 0 400.526 3.633 40 0 HHABRO COc1ccccc1-c1ccccc1C[C@@H]1C[N@H+](Cc2cccc(C)n2)CCNC1=O ZINC000019236293 558855420 /nfs/dbraw/zinc/85/54/20/558855420.db2.gz HXGMCMSJBJMYFJ-OAQYLSRUSA-N 1 0 415.537 3.856 40 0 HHABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000019291389 558863941 /nfs/dbraw/zinc/86/39/41/558863941.db2.gz UQNQUTSEFQGTTG-KEVCNVLYSA-N 1 0 418.541 3.514 40 0 HHABRO O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019293555 558865243 /nfs/dbraw/zinc/86/52/43/558865243.db2.gz NXZQZSWDRNDMHR-NRFANRHFSA-N 1 0 424.520 3.989 40 0 HHABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019293824 558865437 /nfs/dbraw/zinc/86/54/37/558865437.db2.gz LATCKGNTWNOJBC-SFHVURJKSA-N 1 0 406.509 3.986 40 0 HHABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1)c1ccccn1 ZINC000019348875 558874653 /nfs/dbraw/zinc/87/46/53/558874653.db2.gz MQCNBXANYJQPSU-HSZRJFAPSA-N 1 0 404.489 3.999 40 0 HHABRO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000019499246 558897508 /nfs/dbraw/zinc/89/75/08/558897508.db2.gz KHKJKRFPQFOTBI-FOIQADDNSA-N 1 0 403.548 3.640 40 0 HHABRO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)nn1 ZINC000019500435 558898529 /nfs/dbraw/zinc/89/85/29/558898529.db2.gz LHMDXSKXVRWCRH-IRLDBZIGSA-N 1 0 413.541 3.897 40 0 HHABRO COc1cccc([C@@H]2C[N@H+](Cc3c(C)nc4ccccn43)C[C@]23CCCCC(=O)N3)c1 ZINC000019555014 558917914 /nfs/dbraw/zinc/91/79/14/558917914.db2.gz UQEJOXMHXSYZIA-SQJMNOBHSA-N 1 0 418.541 3.680 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)CN3C(=O)C2CC2)cc1 ZINC000019555433 558918114 /nfs/dbraw/zinc/91/81/14/558918114.db2.gz UUHOENOWCZQLNS-UBFVSLLYSA-N 1 0 420.553 3.930 40 0 HHABRO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c(C)n1Cc1cccnc1 ZINC000019567520 558926781 /nfs/dbraw/zinc/92/67/81/558926781.db2.gz FKUXUXMCRFLWPZ-VWNXMTODSA-N 1 0 424.495 3.936 40 0 HHABRO 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 558932539 /nfs/dbraw/zinc/93/25/39/558932539.db2.gz SSKLGTXTFHBSFV-BFYDXBDKSA-N 1 0 415.504 3.625 40 0 HHABRO COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C[NH+]3CCCC3)c(C)o2)cc1 ZINC000019582508 558937630 /nfs/dbraw/zinc/93/76/30/558937630.db2.gz BKBHCZNNTXCDJL-HSZRJFAPSA-N 1 0 420.513 3.703 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccccc2F)C1 ZINC000019591308 558941630 /nfs/dbraw/zinc/94/16/30/558941630.db2.gz WZFKZVAPNWVTBB-RUZDIDTESA-N 1 0 418.516 3.854 40 0 HHABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019591336 558941690 /nfs/dbraw/zinc/94/16/90/558941690.db2.gz MYWZHWPCYPOCGG-RUZDIDTESA-N 1 0 400.526 3.715 40 0 HHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019591699 558942409 /nfs/dbraw/zinc/94/24/09/558942409.db2.gz ZFZZGHMFLOVJHV-SANMLTNESA-N 1 0 415.537 3.938 40 0 HHABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](C4CCN(C(C)=O)CC4)C3)n2)c1 ZINC000072350210 558947079 /nfs/dbraw/zinc/94/70/79/558947079.db2.gz WJWKDPOATCPOEC-OAQYLSRUSA-N 1 0 407.558 3.871 40 0 HHABRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccccc2F)CCOCC1)c1cccc(Cl)c1 ZINC000019654825 558948268 /nfs/dbraw/zinc/94/82/68/558948268.db2.gz RILHEGMWZDNVJW-FQEVSTJZSA-N 1 0 404.913 3.946 40 0 HHABRO CC(C)c1ncc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)cn1 ZINC000072352292 558948516 /nfs/dbraw/zinc/94/85/16/558948516.db2.gz RNSSOWJLRSKNLS-KRWDZBQOSA-N 1 0 424.570 3.526 40 0 HHABRO CC1CC[NH+](CC2(NC(=O)c3cccc(CN4CCCC4=O)c3)CCCCC2)CC1 ZINC000019660440 558951619 /nfs/dbraw/zinc/95/16/19/558951619.db2.gz VRAFVZYGDQEJTO-UHFFFAOYSA-N 1 0 411.590 3.974 40 0 HHABRO NC(=O)c1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCOCc3ccccc3)C2)c1 ZINC000072356458 558953359 /nfs/dbraw/zinc/95/33/59/558953359.db2.gz FSUKTRNXLUASOG-NRFANRHFSA-N 1 0 404.514 3.572 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cc1 ZINC000072358403 558954100 /nfs/dbraw/zinc/95/41/00/558954100.db2.gz GBSVCCPSUKGLNC-HXUWFJFHSA-N 1 0 402.498 3.631 40 0 HHABRO CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCC[NH+](C)C ZINC000072370676 558957199 /nfs/dbraw/zinc/95/71/99/558957199.db2.gz HPOITBZIODGPBL-KRWDZBQOSA-N 1 0 401.576 3.526 40 0 HHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000072373011 558960772 /nfs/dbraw/zinc/96/07/72/558960772.db2.gz QUCPNANEXSEAES-CJFMBICVSA-N 1 0 424.541 3.726 40 0 HHABRO CNC(=O)c1[nH]c(C2CC[NH+](C[C@H]3CC=CCC3)CC2)nc1-c1ccc(OC)cc1 ZINC000019696990 558964700 /nfs/dbraw/zinc/96/47/00/558964700.db2.gz AWGKCVYRYRCTRC-KRWDZBQOSA-N 1 0 408.546 3.981 40 0 HHABRO CNc1ncccc1C[NH+]1CCC(c2nc(-c3ccccc3)c(C(=O)N(C)C)[nH]2)CC1 ZINC000019696995 558964741 /nfs/dbraw/zinc/96/47/41/558964741.db2.gz CDZYTALVGXXHHW-UHFFFAOYSA-N 1 0 418.545 3.595 40 0 HHABRO CCn1cc(C[NH+]2CCC([C@@H]3CC=CCN(Cc4cccc(OC)c4)C3=O)CC2)cn1 ZINC000019698462 558965987 /nfs/dbraw/zinc/96/59/87/558965987.db2.gz SYWBVIWTYHPKLF-DEOSSOPVSA-N 1 0 422.573 3.729 40 0 HHABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2cc(F)ccc21 ZINC000019708782 558971198 /nfs/dbraw/zinc/97/11/98/558971198.db2.gz KJAYKZXWHGEDEH-HSZRJFAPSA-N 1 0 422.504 3.522 40 0 HHABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@H+](Cc4ccncc4)C3)on2)cc1 ZINC000072395949 558975006 /nfs/dbraw/zinc/97/50/06/558975006.db2.gz NXOXFNPGQXOZAY-VWLOTQADSA-N 1 0 418.541 3.958 40 0 HHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000072398628 558976213 /nfs/dbraw/zinc/97/62/13/558976213.db2.gz ZZRRMPGGAFROFJ-CVDCTZTESA-N 1 0 404.489 3.999 40 0 HHABRO CCn1cnc2sc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)c(C)c2c1=O ZINC000019717356 558979936 /nfs/dbraw/zinc/97/99/36/558979936.db2.gz VNJAILODPLBLAA-UHFFFAOYSA-N 1 0 424.570 3.523 40 0 HHABRO Cc1c(C(=O)N[C@@H](CC[NH+]2CCCCC2)c2ccccc2)sc2[nH]c(C)nc(=O)c12 ZINC000019718999 558982536 /nfs/dbraw/zinc/98/25/36/558982536.db2.gz CRXYTGBWXBPKQT-SFHVURJKSA-N 1 0 424.570 3.949 40 0 HHABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)cc1 ZINC000585104521 559026987 /nfs/dbraw/zinc/02/69/87/559026987.db2.gz PSKWJCJRVSLXHZ-IRLDBZIGSA-N 1 0 400.563 3.503 40 0 HHABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)cc1 ZINC000585104522 559027011 /nfs/dbraw/zinc/02/70/11/559027011.db2.gz PSKWJCJRVSLXHZ-RBBKRZOGSA-N 1 0 400.563 3.503 40 0 HHABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4cc(F)ccc4F)C[C@@H]32)no1 ZINC000585109565 559029360 /nfs/dbraw/zinc/02/93/60/559029360.db2.gz BNNNTTDTRQHWJF-CNNODRBYSA-N 1 0 409.436 3.962 40 0 HHABRO Cc1c(F)cccc1C(=O)N1CCc2ncc(-c3cccc4c3C[N@H+](C)C4)n2CC1 ZINC000585111405 559030486 /nfs/dbraw/zinc/03/04/86/559030486.db2.gz SJGLIPDGIQLJIV-UHFFFAOYSA-N 1 0 404.489 3.642 40 0 HHABRO CC(C)CN1CC2(CC[NH+](Cc3ccco3)CC2)COc2ccccc2S1(=O)=O ZINC000096037150 559090952 /nfs/dbraw/zinc/09/09/52/559090952.db2.gz BXQMSAJUKYRIER-UHFFFAOYSA-N 1 0 418.559 3.601 40 0 HHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053227 559093131 /nfs/dbraw/zinc/09/31/31/559093131.db2.gz SQGNKJGDBCXGEN-OAQYLSRUSA-N 1 0 405.542 3.995 40 0 HHABRO Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)nc1 ZINC000096156169 559100282 /nfs/dbraw/zinc/10/02/82/559100282.db2.gz PLSRELIQVISAOE-IBGZPJMESA-N 1 0 412.497 3.675 40 0 HHABRO Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)cn1 ZINC000096267531 559108158 /nfs/dbraw/zinc/10/81/58/559108158.db2.gz SKEQOPSNJNNDDP-IBGZPJMESA-N 1 0 412.497 3.675 40 0 HHABRO O=C([C@@H]1CCCC[NH2+]1)N1CCC(c2cccc(Nc3ncc(Cl)s3)n2)CC1 ZINC000585263607 559111998 /nfs/dbraw/zinc/11/19/98/559111998.db2.gz TZWYVYBGQFAEKU-HNNXBMFYSA-N 1 0 405.955 3.783 40 0 HHABRO Cc1noc(C)c1COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000585268320 559113221 /nfs/dbraw/zinc/11/32/21/559113221.db2.gz WBWHGJOPWAZFMA-DHIUTWEWSA-N 1 0 412.461 3.634 40 0 HHABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274618 559118587 /nfs/dbraw/zinc/11/85/87/559118587.db2.gz XSVXJVUWHHAMQS-HSZRJFAPSA-N 1 0 418.484 3.531 40 0 HHABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274620 559118706 /nfs/dbraw/zinc/11/87/06/559118706.db2.gz XSVXJVUWHHAMQS-QHCPKHFHSA-N 1 0 418.484 3.531 40 0 HHABRO O=c1c2c([nH]c3cc(-c4ccco4)nn31)CCN(Cc1cnn(C3CCCCC3)c1)C2 ZINC000100141641 559130424 /nfs/dbraw/zinc/13/04/24/559130424.db2.gz HAOLJMFGAMQVIB-UHFFFAOYSA-N 1 0 418.501 3.955 40 0 HHABRO CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@H](N5CC5)[C@H](C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000118913835 559205209 /nfs/dbraw/zinc/20/52/09/559205209.db2.gz WRCFYFRXAYMSAE-VKFOQVEHSA-N 1 0 415.574 3.639 40 0 in-vitro HHABRO O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022823045 559274306 /nfs/dbraw/zinc/27/43/06/559274306.db2.gz LXWJFNRCGIHCSA-MHXGMRQZSA-N 1 0 419.009 3.804 40 0 HHABRO Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c12 ZINC000004133475 560600483 /nfs/dbraw/zinc/60/04/83/560600483.db2.gz SZDSXYPEMVVJSZ-GOSISDBHSA-N 1 0 422.598 3.836 40 0 HHABRO C=C(/C=C(\NC(=O)c1ccccc1)C(=O)N1CCC([NH+]2CCCCC2)CC1)O/C=C\C ZINC000005043782 560623923 /nfs/dbraw/zinc/62/39/23/560623923.db2.gz XAOYLMZNUDHEGO-AVHUANJUSA-N 1 0 423.557 3.841 40 0 HHABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409059375 560670853 /nfs/dbraw/zinc/67/08/53/560670853.db2.gz MRARDBMAVPPAHB-PVTRQTPWSA-O 1 0 412.513 3.628 40 0 HHABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409054675 560671351 /nfs/dbraw/zinc/67/13/51/560671351.db2.gz AYAJAWLHBVTPPZ-HTZJYPRQSA-O 1 0 412.513 3.628 40 0 HHABRO CCOCCC[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000006870184 560747637 /nfs/dbraw/zinc/74/76/37/560747637.db2.gz UWFCVZCKUSOHES-UHFFFAOYSA-N 1 0 409.324 3.948 40 0 HHABRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000022074403 568473810 /nfs/dbraw/zinc/47/38/10/568473810.db2.gz HMEFYFZITMBQET-UHFFFAOYSA-N 1 0 410.308 3.816 40 0 HHABRO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCc1cccs1 ZINC000022586025 568487229 /nfs/dbraw/zinc/48/72/29/568487229.db2.gz XWNKODHDLFCWOW-UHFFFAOYSA-N 1 0 405.567 3.772 40 0 HHABRO O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222595331 568519786 /nfs/dbraw/zinc/51/97/86/568519786.db2.gz YXHCKUGWKIPSQR-GOSISDBHSA-N 1 0 410.905 3.918 40 0 HHABRO O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222602343 568520100 /nfs/dbraw/zinc/52/01/00/568520100.db2.gz VQEVNKWQVATGHU-JOCHJYFZSA-N 1 0 409.549 3.997 40 0 HHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000223236478 568542066 /nfs/dbraw/zinc/54/20/66/568542066.db2.gz GAWJFERPRXOBGG-YADHBBJMSA-N 1 0 423.561 3.936 40 0 HHABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1cccnc1 ZINC000223451809 568549305 /nfs/dbraw/zinc/54/93/05/568549305.db2.gz NVPYJXZLAZMMIT-YADHBBJMSA-N 1 0 412.522 3.835 40 0 HHABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccccn1 ZINC000223526050 568550960 /nfs/dbraw/zinc/55/09/60/568550960.db2.gz JMMSNTZUDIXRJQ-VXKWHMMOSA-N 1 0 412.522 3.835 40 0 HHABRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224419783 568580851 /nfs/dbraw/zinc/58/08/51/568580851.db2.gz TYBAQKQSSABVHX-SJLPKXTDSA-N 1 0 400.494 3.932 40 0 HHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000224536927 568584130 /nfs/dbraw/zinc/58/41/30/568584130.db2.gz YOTODKWMUAWRFU-UHFFFAOYSA-N 1 0 402.922 3.886 40 0 HHABRO O=S(=O)(Cc1cccc(Br)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224636585 568589800 /nfs/dbraw/zinc/58/98/00/568589800.db2.gz OFZMUQIDZZDPAH-UHFFFAOYSA-N 1 0 423.376 3.665 40 0 HHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(I)c1 ZINC000224964627 568606449 /nfs/dbraw/zinc/60/64/49/568606449.db2.gz LSCNZJWJSTVQML-INIZCTEOSA-N 1 0 400.304 3.676 40 0 HHABRO Cc1nccn1Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225298306 568628558 /nfs/dbraw/zinc/62/85/58/568628558.db2.gz DWPCYSRYDJWZFP-UHFFFAOYSA-N 1 0 404.514 3.965 40 0 HHABRO Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000225790233 568674889 /nfs/dbraw/zinc/67/48/89/568674889.db2.gz JUDABSLDCWKPKC-FXBPSFAMSA-N 1 0 411.571 3.820 40 0 HHABRO O=C(Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1)N1CCCC1 ZINC000225901745 568684762 /nfs/dbraw/zinc/68/47/62/568684762.db2.gz MPOKYSZYCIWTNQ-JOCHJYFZSA-N 1 0 405.542 3.702 40 0 HHABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCC[NH3+])cc(Br)c1OC2(C)C ZINC000257203881 568777140 /nfs/dbraw/zinc/77/71/40/568777140.db2.gz ASBCQSFDQIPSGJ-NQBHXWOUSA-N 1 0 411.340 3.534 40 0 HHABRO Cc1cccnc1Nc1cncc(C2CCN(C(=O)CC[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000257220012 568782097 /nfs/dbraw/zinc/78/20/97/568782097.db2.gz DJEREJAFUJDNRL-SFHVURJKSA-N 1 0 422.577 3.752 40 0 HHABRO 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 568783683 /nfs/dbraw/zinc/78/36/83/568783683.db2.gz FHPZTJBDOQQBEQ-GPMSIDNRSA-N 1 0 424.932 3.649 40 0 HHABRO COc1cc2c(cc1C[NH+]1CCC(c3cncc(Nc4cnccn4)n3)CC1)CCC2 ZINC000257248210 568789694 /nfs/dbraw/zinc/78/96/94/568789694.db2.gz JCQGPYGXWCDLFC-UHFFFAOYSA-N 1 0 416.529 3.887 40 0 HHABRO O=C(NCC[NH+]1CCCCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257248342 568789778 /nfs/dbraw/zinc/78/97/78/568789778.db2.gz JDFMYGHLKXUQSV-UHFFFAOYSA-N 1 0 407.558 3.690 40 0 HHABRO COc1ccccc1Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)ccn1 ZINC000257249045 568790082 /nfs/dbraw/zinc/79/00/82/568790082.db2.gz JGKYZKFDUXCBCL-FEVSWUGISA-N 1 0 405.542 3.816 40 0 HHABRO CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Nc3nc(C)c(C)s3)n2)CC1 ZINC000257258864 568792469 /nfs/dbraw/zinc/79/24/69/568792469.db2.gz KVVBPMOBTPYAPK-UHFFFAOYSA-N 1 0 401.580 3.946 40 0 HHABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257263036 568793668 /nfs/dbraw/zinc/79/36/68/568793668.db2.gz LOCQUBKQVGPAQT-JOCHJYFZSA-N 1 0 409.578 3.981 40 0 HHABRO CCc1nccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@@H]2Cc1ccccc1 ZINC000257269544 568795551 /nfs/dbraw/zinc/79/55/51/568795551.db2.gz MQKQAKOXFDZKCK-KDHQNNTKSA-N 1 0 420.601 3.921 40 0 HHABRO CCN1CC[N@H+](Cc2ccc(O)cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257282382 568799180 /nfs/dbraw/zinc/79/91/80/568799180.db2.gz OTOCTCCIIPZHIM-HSZRJFAPSA-N 1 0 415.537 3.977 40 0 HHABRO Cc1cccc(Nc2cc(C)[nH+]c(C3CCN(C(=O)c4cnc(C)cn4)CC3)c2)n1 ZINC000257324362 568811645 /nfs/dbraw/zinc/81/16/45/568811645.db2.gz WOJCRKYBOKJHDA-UHFFFAOYSA-N 1 0 402.502 3.955 40 0 HHABRO O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026780734 568831376 /nfs/dbraw/zinc/83/13/76/568831376.db2.gz MKXJSHZPYZGLHI-SFHVURJKSA-N 1 0 414.855 3.921 40 0 HHABRO C[NH+](C)CCn1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c3ccccn32)c1 ZINC000306128293 568891188 /nfs/dbraw/zinc/89/11/88/568891188.db2.gz GWJIRLALXQHVAW-UHFFFAOYSA-N 1 0 423.467 3.573 40 0 HHABRO Cn1[n-]c2c(c1=O)C[N@H+](Cc1cccc(F)c1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306138550 568900279 /nfs/dbraw/zinc/90/02/79/568900279.db2.gz SAINMCMAICOTRC-UHFFFAOYSA-N 1 0 420.532 3.814 40 0 HHABRO CC(C)C[NH+]1CCC2(CCCN(C(=O)c3ccccc3)[C@H]2CNC(=O)C2CC2)CC1 ZINC000306139070 568900892 /nfs/dbraw/zinc/90/08/92/568900892.db2.gz SOLJBBQNEATOHJ-QFIPXVFZSA-N 1 0 411.590 3.556 40 0 HHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccc(OC)c4)cnc2CO3)cc1 ZINC000306141595 568902963 /nfs/dbraw/zinc/90/29/63/568902963.db2.gz WBLPOIICBYKMMA-XMMPIXPASA-N 1 0 405.498 3.742 40 0 HHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)cc1 ZINC000306142642 568904247 /nfs/dbraw/zinc/90/42/47/568904247.db2.gz XFKHANSNBGKSCT-PKTZIBPZSA-N 1 0 405.473 3.717 40 0 HHABRO COC[C@@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218591440 568938516 /nfs/dbraw/zinc/93/85/16/568938516.db2.gz PXATVBJBYUSZAX-SQNIBIBYSA-N 1 0 400.327 3.525 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2Cl)cc(C(F)(F)F)n1 ZINC000329014400 568972605 /nfs/dbraw/zinc/97/26/05/568972605.db2.gz MVXRXQSNPVPSCA-UHFFFAOYSA-N 1 0 408.255 3.753 40 0 HHABRO Cc1c(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329020427 568973107 /nfs/dbraw/zinc/97/31/07/568973107.db2.gz OCINDKWHKLVAMI-UHFFFAOYSA-N 1 0 421.389 3.774 40 0 HHABRO C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)n1 ZINC000329047169 568974514 /nfs/dbraw/zinc/97/45/14/568974514.db2.gz UEZXOGYDBNEBIU-UHFFFAOYSA-N 1 0 413.875 3.977 40 0 HHABRO CCC(C)(C)n1nnnc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020139906 569031069 /nfs/dbraw/zinc/03/10/69/569031069.db2.gz HWNCNYMVSQNVOB-UHFFFAOYSA-N 1 0 404.562 3.725 40 0 HHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019565047 569345605 /nfs/dbraw/zinc/34/56/05/569345605.db2.gz CCFVDMDIPDHLOZ-HYBUGGRVSA-N 1 0 416.525 3.869 40 0 HHABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)Cn3nnc4ccccc43)c2)C1 ZINC000019712229 569348324 /nfs/dbraw/zinc/34/83/24/569348324.db2.gz SRQKERSXPFXPCR-KNQAVFIVSA-N 1 0 407.518 3.632 40 0 HHABRO Cn1nc(-c2ccccc2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1cccs1 ZINC000008635317 571097492 /nfs/dbraw/zinc/09/74/92/571097492.db2.gz XBLAUGULFOUMJJ-OTWHNJEPSA-N 1 0 406.555 3.756 40 0 biogenic,in-vitro HHABRO