smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012291590 132357995 /nfs/dbraw/zinc/35/79/95/132357995.db2.gz XKYCCACLFGANQS-XMMPIXPASA-N 0 3 422.569 3.701 40 0 HHABHN COCC(=O)N1CCc2c3ccccc3[nH]c2C12CCN(Cc1ccccc1)CC2 ZINC000072325649 522754344 /nfs/dbraw/zinc/75/43/44/522754344.db2.gz RDPVNTUVCDCABF-UHFFFAOYSA-N 0 3 403.526 3.690 40 0 HHABHN COCCNc1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2cnccn2)n1 ZINC000072351950 523962675 /nfs/dbraw/zinc/96/26/75/523962675.db2.gz WLGLCCRHUFXIAK-UHFFFAOYSA-N 0 3 422.508 3.511 40 0 HHABHN COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000020228382 558349616 /nfs/dbraw/zinc/34/96/16/558349616.db2.gz BOQDMGUQOSUKGY-UHFFFAOYSA-N 0 3 422.928 3.879 40 0 HHABHN COc1ccc(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)cc1Cn1cccn1 ZINC000012251857 558362508 /nfs/dbraw/zinc/36/25/08/558362508.db2.gz IXPSJKBAGQGLFI-XMMPIXPASA-N 0 3 409.505 3.953 40 0 HHABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293682 558366996 /nfs/dbraw/zinc/36/69/96/558366996.db2.gz UWPPSFUFJORMIT-RTWAWAEBSA-N 0 3 401.478 3.609 40 0 HHABHN COc1ccc2[nH]c(C)c([C@@H](O)CN3CCC4(CC3)C[C@@H](O)c3ccccc3O4)c2c1 ZINC000012329186 558383817 /nfs/dbraw/zinc/38/38/17/558383817.db2.gz UBGJGDAUHGIRSY-YADHBBJMSA-N 0 3 422.525 3.869 40 0 HHABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000100889380 558800460 /nfs/dbraw/zinc/80/04/60/558800460.db2.gz ABBALDGNDSAVGV-BDTNDASRSA-N 0 3 400.434 3.746 40 0 HHABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400595 558883199 /nfs/dbraw/zinc/88/31/99/558883199.db2.gz HOILGRASXBMNSQ-WMZHIEFXSA-N 0 3 404.489 3.999 40 0 HHABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400593 558883230 /nfs/dbraw/zinc/88/32/30/558883230.db2.gz HOILGRASXBMNSQ-AUSIDOKSSA-N 0 3 404.489 3.999 40 0 HHABHN O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccn3)CC[C@H]21 ZINC000019401843 558883848 /nfs/dbraw/zinc/88/38/48/558883848.db2.gz QIMIYVCLJKQESC-CQOQZXRMSA-N 0 3 416.500 3.746 40 0 HHABHN CCCN1CCN(CC2=CCCOC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502823 558900087 /nfs/dbraw/zinc/90/00/87/558900087.db2.gz LAXYPKJJKOTZIL-RUZDIDTESA-N 0 3 419.569 3.808 40 0 HHABHN CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2nccn2CC)C1 ZINC000019529196 558911057 /nfs/dbraw/zinc/91/10/57/558911057.db2.gz VLRNFVRDVXKNBL-RUZDIDTESA-N 0 3 417.557 3.536 40 0 HHABHN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000019553970 558916984 /nfs/dbraw/zinc/91/69/84/558916984.db2.gz JAKOLGSQPJGUKP-RPWUZVMVSA-N 0 3 416.525 3.730 40 0 HHABHN COc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000019563119 558923465 /nfs/dbraw/zinc/92/34/65/558923465.db2.gz NRPMOWKOMQUZTR-VXKWHMMOSA-N 0 3 408.498 3.561 40 0 HHABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](C(C)C)C2 ZINC000019566142 558925903 /nfs/dbraw/zinc/92/59/03/558925903.db2.gz JWLJACTWYDNKSJ-LJQANCHMSA-N 0 3 420.513 3.981 40 0 HHABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](C(C)C)C2 ZINC000019566142 558925906 /nfs/dbraw/zinc/92/59/06/558925906.db2.gz JWLJACTWYDNKSJ-LJQANCHMSA-N 0 3 420.513 3.981 40 0 HHABHN CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2ccccn2)C1 ZINC000019579583 558935178 /nfs/dbraw/zinc/93/51/78/558935178.db2.gz XXOGYSOIYFLBDU-XMMPIXPASA-N 0 3 404.514 3.650 40 0 HHABHN COc1ccccc1Cc1cccc(C2CCN(C(=O)C3CCN(C)CC3)CC2)n1 ZINC000072350402 558947391 /nfs/dbraw/zinc/94/73/91/558947391.db2.gz QRSUSTVGAAVMLV-UHFFFAOYSA-N 0 3 407.558 3.729 40 0 HHABHN COc1cc(C)ccc1CN1CC[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000072352275 558948538 /nfs/dbraw/zinc/94/85/38/558948538.db2.gz RBPNYYWIGWMTDD-GOSISDBHSA-N 0 3 424.566 3.930 40 0 HHABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371740 558959028 /nfs/dbraw/zinc/95/90/28/558959028.db2.gz USRYCXSWCIIBBN-QGZVFWFLSA-N 0 3 409.509 3.621 40 0 HHABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371740 558959031 /nfs/dbraw/zinc/95/90/31/558959031.db2.gz USRYCXSWCIIBBN-QGZVFWFLSA-N 0 3 409.509 3.621 40 0 HHABHN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000019693998 558962136 /nfs/dbraw/zinc/96/21/36/558962136.db2.gz ODOICZYKAFXCKB-SFHVURJKSA-N 0 3 410.953 3.976 40 0 HHABHN CCn1cc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 ZINC000019694184 558962504 /nfs/dbraw/zinc/96/25/04/558962504.db2.gz AGZWOUUGVQGDPB-IBGZPJMESA-N 0 3 408.525 3.945 40 0 HHABHN CCn1cc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cn1 ZINC000019694181 558962544 /nfs/dbraw/zinc/96/25/44/558962544.db2.gz RMAUSSNIWSGQKT-LJQANCHMSA-N 0 3 408.525 3.945 40 0 HHABHN CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 ZINC000072374905 558962983 /nfs/dbraw/zinc/96/29/83/558962983.db2.gz PFMWMUUWCIXXNQ-SFHVURJKSA-N 0 3 417.579 3.603 40 0 HHABHN Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706624 558968953 /nfs/dbraw/zinc/96/89/53/558968953.db2.gz VCTGOWXLGHTHOE-HXUWFJFHSA-N 0 3 421.589 3.534 40 0 HHABHN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccccc2CN2CCCC2)CC1=O ZINC000019715119 558975702 /nfs/dbraw/zinc/97/57/02/558975702.db2.gz ZWCRTUQYBIMOAT-LJQANCHMSA-N 0 3 407.514 3.591 40 0 HHABHN COc1ccccc1CN1CCC([C@H](NC(=O)c2ccccn2)c2ccccn2)CC1 ZINC000072398544 558975878 /nfs/dbraw/zinc/97/58/78/558975878.db2.gz FALWFUXFEZDXQG-DEOSSOPVSA-N 0 3 416.525 3.869 40 0 HHABHN Cc1nc(N2CCOCC2)sc1CN1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019715764 558976960 /nfs/dbraw/zinc/97/69/60/558976960.db2.gz ZQVSMLUCAVAKQL-QGZVFWFLSA-N 0 3 411.575 3.554 40 0 HHABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@H]3C)s1 ZINC000096062286 559094134 /nfs/dbraw/zinc/09/41/34/559094134.db2.gz VPKFKRHGQMTUOE-HNNXBMFYSA-N 0 3 405.589 3.604 40 0 HHABHN CC(C)n1cnc2c1cc(C1CCN(Cc3cnn(C)c3)CC1)nc2N1CCCC1 ZINC000096099993 559095304 /nfs/dbraw/zinc/09/53/04/559095304.db2.gz GHQJMLHYYFDFFY-UHFFFAOYSA-N 0 3 407.566 3.726 40 0 HHABHN COCCN(C)c1nc(C2CCN(Cc3cccnc3)CC2)cc2c1ncn2C(C)C ZINC000096155658 559099876 /nfs/dbraw/zinc/09/98/76/559099876.db2.gz NSBYINJLBFCMQD-UHFFFAOYSA-N 0 3 422.577 3.869 40 0 HHABHN Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCn4ccnc4)c3)CC2)cc1 ZINC000585274534 559118619 /nfs/dbraw/zinc/11/86/19/559118619.db2.gz ZSRHYIFUCARVPC-UHFFFAOYSA-N 0 3 421.541 3.676 40 0 HHABHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000100587164 559136871 /nfs/dbraw/zinc/13/68/71/559136871.db2.gz URMJABIZXOISIF-ZCNNSNEGSA-N 0 3 405.841 3.786 40 0 HHABHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000100587155 559136883 /nfs/dbraw/zinc/13/68/83/559136883.db2.gz URMJABIZXOISIF-UFYCRDLUSA-N 0 3 405.841 3.786 40 0 HHABHN O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102005360 559148933 /nfs/dbraw/zinc/14/89/33/559148933.db2.gz PUFCLNNYRLZNST-AABGKKOBSA-N 0 3 405.841 3.786 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102005360 559148935 /nfs/dbraw/zinc/14/89/35/559148935.db2.gz PUFCLNNYRLZNST-AABGKKOBSA-N 0 3 405.841 3.786 40 0 HHABHN COc1ccc(CN2CCC[C@@]3(CN(CCc4ccccc4)C(=O)CO3)CC2)cc1 ZINC000257314407 559282822 /nfs/dbraw/zinc/28/28/22/559282822.db2.gz UWVAKQPUGVTKAB-VWLOTQADSA-N 0 3 408.542 3.521 40 0 HHABHN COc1ccc([C@H]2CN(C(=O)C3(C)CCN(Cc4ccccc4)CC3)CCN2C)cc1 ZINC000257249630 559284524 /nfs/dbraw/zinc/28/45/24/559284524.db2.gz JJDBVFLUVKMKBA-XMMPIXPASA-N 0 3 421.585 3.813 40 0 HHABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000000880653 560539704 /nfs/dbraw/zinc/53/97/04/560539704.db2.gz NLCRYADZPYBSES-UHFFFAOYSA-N 0 3 414.619 3.716 40 0 HHABHN O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccc3c(c2)OCO3)N1c1ccccc1 ZINC000000860761 560554525 /nfs/dbraw/zinc/55/45/25/560554525.db2.gz NOOHLTYSCPANMT-VWLOTQADSA-N 0 3 423.472 3.850 40 0 HHABHN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23c2cc(C)ccc2NC3=O)cc1 ZINC000008995749 560640701 /nfs/dbraw/zinc/64/07/01/560640701.db2.gz LXGWRKRXKJDGPC-WPSZSDGUSA-N 0 3 407.514 3.814 40 0 HHABHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000109033476 560755232 /nfs/dbraw/zinc/75/52/32/560755232.db2.gz QVBNLLTVAPYTGH-ZACQAIPSSA-N 0 3 420.600 3.926 40 0 HHABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C1=O ZINC000005031417 568431595 /nfs/dbraw/zinc/43/15/95/568431595.db2.gz MCEWVEMNJCRCNB-VSKRKVRLSA-N 0 3 400.434 3.752 40 0 HHABHN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(C)c2OC)C1 ZINC000057774144 568497345 /nfs/dbraw/zinc/49/73/45/568497345.db2.gz KWNXCXWEGLHDPT-CVDCTZTESA-N 0 3 411.546 3.505 40 0 HHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000223278081 568543818 /nfs/dbraw/zinc/54/38/18/568543818.db2.gz NYOPEYKDNMTXLF-RTWAWAEBSA-N 0 3 409.534 3.546 40 0 HHABHN O=S(=O)(Cc1ccc(Br)cc1)NCc1ccccc1CN1CCCC1 ZINC000224779988 568596630 /nfs/dbraw/zinc/59/66/30/568596630.db2.gz UFHVCCPIEDBDLW-UHFFFAOYSA-N 0 3 423.376 3.665 40 0 HHABHN O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000225278314 568627559 /nfs/dbraw/zinc/62/75/59/568627559.db2.gz RSQTYRNRDQDHSS-MSOLQXFVSA-N 0 3 400.906 3.508 40 0 HHABHN CC(C)(C)c1ccc(CN2C[C@H]3[C@H](CC[C@@H]3Oc3cccnc3)C2)c(OCC(N)=O)c1 ZINC000257247118 568789490 /nfs/dbraw/zinc/78/94/90/568789490.db2.gz IXOQYUHJFPJEHF-WTNAPCKOSA-N 0 3 423.557 3.533 40 0 HHABHN CN(C)c1ncccc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000257251205 568790748 /nfs/dbraw/zinc/79/07/48/568790748.db2.gz JPVUWIKEAGVDPM-YADHBBJMSA-N 0 3 410.537 3.832 40 0 HHABHN COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H](N)CC(C)C)CC[C@H]3O[C@@H]21 ZINC000257273056 568796579 /nfs/dbraw/zinc/79/65/79/568796579.db2.gz NFBNFHBCYSCSSA-GSFBZFRISA-N 0 3 416.562 3.534 40 0 HHABHN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)o1 ZINC000257303016 568805166 /nfs/dbraw/zinc/80/51/66/568805166.db2.gz SFKYWEZZMHWHRD-HXUWFJFHSA-N 0 3 411.546 3.856 40 0 HHABHN Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@@H]3Cc2ccccc2)[n-]c(=O)n1 ZINC000257333946 568814208 /nfs/dbraw/zinc/81/42/08/568814208.db2.gz YDUGFOPLWIWUNL-YLYPHGCXSA-N 0 3 420.557 3.579 40 0 HHABHN Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)[n-]c(=O)n1 ZINC000257333946 568814210 /nfs/dbraw/zinc/81/42/10/568814210.db2.gz YDUGFOPLWIWUNL-YLYPHGCXSA-N 0 3 420.557 3.579 40 0 HHABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4cccc(F)c4)CC2)CN(C)C3)cc1 ZINC000306128954 568891654 /nfs/dbraw/zinc/89/16/54/568891654.db2.gz HPDGPHAJHOBCTK-UHFFFAOYSA-N 0 3 421.520 3.530 40 0 HHABHN CCOC[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218625327 568942076 /nfs/dbraw/zinc/94/20/76/568942076.db2.gz RQRWOMWEVYHYQF-ACRUOGEOSA-N 0 3 407.963 3.824 40 0 HHABHN Cc1nc2cc(Nc3cc(-c4ccccc4)nc(NCCN(C)C)n3)ccc2s1 ZINC000329019927 568973026 /nfs/dbraw/zinc/97/30/26/568973026.db2.gz NZPBKNWEMBSPOG-UHFFFAOYSA-N 0 3 404.543 3.623 40 0 HHABHN CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc(OC)cc2)C1 ZINC000019703461 569428698 /nfs/dbraw/zinc/42/86/98/569428698.db2.gz ZGZUUGKLGZFBOA-XMMPIXPASA-N 0 3 405.498 3.531 40 0 HHABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(C(F)(F)F)cc2)COC1 ZINC000096112752 291251040 /nfs/dbraw/zinc/25/10/40/291251040.db2.gz UUOZLMUAIFURDP-INIZCTEOSA-N 0 3 419.403 3.703 40 0 biogenic,in-vitro HHABHN COc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC ZINC000044851732 523937379 /nfs/dbraw/zinc/93/73/79/523937379.db2.gz WAEAEXDVFYBTCS-FQEVSTJZSA-N 0 3 414.521 3.804 40 0 HHABHN c1ccc(OCCn2nc(C3CCN(Cc4ccccn4)CC3)c3nccnc32)cc1 ZINC000072395857 526486806 /nfs/dbraw/zinc/48/68/06/526486806.db2.gz UNUUEJUMBTZDCI-UHFFFAOYSA-N 0 3 414.513 3.680 40 0 HHABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000100191850 557145054 /nfs/dbraw/zinc/14/50/54/557145054.db2.gz QKCWRQZHQLQNEA-ACRUOGEOSA-N 0 3 404.422 3.729 40 0 HHABHN Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741470 558262063 /nfs/dbraw/zinc/26/20/63/558262063.db2.gz TWUCEDVRXMSFBR-HXUWFJFHSA-N 0 3 420.557 3.623 40 0 HHABHN COc1ccccc1NC(=O)c1ccc(C2CCN(Cc3cccnc3)CC2)nc1N ZINC000019766276 558278592 /nfs/dbraw/zinc/27/85/92/558278592.db2.gz JGGFITJHXXVUMK-UHFFFAOYSA-N 0 3 417.513 3.699 40 0 HHABHN COc1ccc(C2(CN3CCC(NC(=O)CCc4cc(Cl)no4)CC3)CC2)cc1 ZINC000012187115 558345912 /nfs/dbraw/zinc/34/59/12/558345912.db2.gz ZIEJCZTZTAFRBF-UHFFFAOYSA-N 0 3 417.937 3.582 40 0 HHABHN Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3cccnc3)CC2)on1 ZINC000012232371 558358307 /nfs/dbraw/zinc/35/83/07/558358307.db2.gz AWRUPQZIBUUQGC-UHFFFAOYSA-N 0 3 404.518 3.815 40 0 HHABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293778 558367410 /nfs/dbraw/zinc/36/74/10/558367410.db2.gz QYBWBLLAOIVVBN-FGZHOGPDSA-N 0 3 424.541 3.728 40 0 HHABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2cn(CCCO)c3ccccc23)CC1 ZINC000012328525 558383681 /nfs/dbraw/zinc/38/36/81/558383681.db2.gz SSZUJLJTAAOXDB-UHFFFAOYSA-N 0 3 423.532 3.790 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1OCC ZINC000020798570 558415126 /nfs/dbraw/zinc/41/51/26/558415126.db2.gz OJGPTNAQOGNHKZ-SFHVURJKSA-N 0 3 422.481 3.914 40 0 HHABHN Fc1ccc(COc2ccc(Br)cc2CNCCN2CCOCC2)cc1 ZINC000023263557 558547128 /nfs/dbraw/zinc/54/71/28/558547128.db2.gz BXHPUIDWHQRIBI-UHFFFAOYSA-N 0 3 423.326 3.589 40 0 HHABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C1=O ZINC000013687697 558855047 /nfs/dbraw/zinc/85/50/47/558855047.db2.gz MCEWVEMNJCRCNB-FSSWDIPSSA-N 0 3 400.434 3.752 40 0 HHABHN O=C(c1cc([C@@H]2CCCN(Cc3cccc4ccccc43)C2)no1)N1CCC(O)CC1 ZINC000019376375 558882287 /nfs/dbraw/zinc/88/22/87/558882287.db2.gz QHSCLKQYAGUKNC-HXUWFJFHSA-N 0 3 419.525 3.804 40 0 HHABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1CC1=CCCCC1 ZINC000019404198 558884497 /nfs/dbraw/zinc/88/44/97/558884497.db2.gz RBEAAYGPVFBBQC-JOCHJYFZSA-N 0 3 422.577 3.570 40 0 HHABHN CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)cc2N1 ZINC000019520595 558901706 /nfs/dbraw/zinc/90/17/06/558901706.db2.gz FEWVYYQVKIAZAK-KBAYOESNSA-N 0 3 423.483 3.922 40 0 HHABHN CCOc1cc(CN2CCC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532001 558912136 /nfs/dbraw/zinc/91/21/36/558912136.db2.gz JWOGARHTJPRIHV-GOSISDBHSA-N 0 3 420.513 3.619 40 0 HHABHN C=Cn1ncc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4ccc(OC)cc4)n3)CC2)c1C ZINC000019554345 558917490 /nfs/dbraw/zinc/91/74/90/558917490.db2.gz RGJPEAVSPBQZTN-UHFFFAOYSA-N 0 3 405.502 3.843 40 0 HHABHN COc1cccc(CN2CCC([C@@H](NC(=O)c3ccccn3)c3ccccn3)CC2)c1 ZINC000019564863 558924879 /nfs/dbraw/zinc/92/48/79/558924879.db2.gz UQWQMBLHLJSJPK-XMMPIXPASA-N 0 3 416.525 3.869 40 0 HHABHN COc1ccccc1CN1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019570259 558929186 /nfs/dbraw/zinc/92/91/86/558929186.db2.gz PTBDGPUDWKZEIR-IBGZPJMESA-N 0 3 418.545 3.855 40 0 HHABHN COc1cccc(-c2cccc(C[C@H]3CN(Cc4ccccn4)CCN(C)C3=O)c2)c1 ZINC000019589526 558940384 /nfs/dbraw/zinc/94/03/84/558940384.db2.gz QPTOLQOGADEFDQ-QHCPKHFHSA-N 0 3 415.537 3.890 40 0 HHABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccccn2)C1 ZINC000019591326 558941611 /nfs/dbraw/zinc/94/16/11/558941611.db2.gz PSIMKAZXKCTVEU-RUZDIDTESA-N 0 3 400.526 3.715 40 0 HHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019591320 558941731 /nfs/dbraw/zinc/94/17/31/558941731.db2.gz UNDYSUJQPKFDHG-RUZDIDTESA-N 0 3 400.526 3.715 40 0 HHABHN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000072345940 558942532 /nfs/dbraw/zinc/94/25/32/558942532.db2.gz MJRWIJIBBXWLRO-GOSISDBHSA-N 0 3 421.932 3.858 40 0 HHABHN CNc1ncccc1CN1CCC[C@@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1 ZINC000072346227 558943155 /nfs/dbraw/zinc/94/31/55/558943155.db2.gz BJMGYICUKMKQMB-QGZVFWFLSA-N 0 3 404.518 3.551 40 0 HHABHN CCC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCN(C)C ZINC000072370661 558957017 /nfs/dbraw/zinc/95/70/17/558957017.db2.gz AFADYJQBDLBPJQ-QGZVFWFLSA-N 0 3 415.603 3.916 40 0 HHABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)o1 ZINC000096052931 559092743 /nfs/dbraw/zinc/09/27/43/559092743.db2.gz UTVRVHCNYLINGY-NRFANRHFSA-N 0 3 421.585 3.773 40 0 HHABHN CC(C)n1c2cc(C(=O)NCCN3CCCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146442 559097963 /nfs/dbraw/zinc/09/79/63/559097963.db2.gz RYANWPJXIHUFGM-UHFFFAOYSA-N 0 3 416.529 3.782 40 0 HHABHN COc1cccc(CC(=O)N2CC[C@@]3(C2)CCCN(CCOc2ccccc2)C3)c1 ZINC000096216388 559101889 /nfs/dbraw/zinc/10/18/89/559101889.db2.gz WSRKGCKPOPOUEV-VWLOTQADSA-N 0 3 408.542 3.631 40 0 HHABHN CN1C(=O)CCC[C@]12CN(CCOc1ccc(F)cc1)C[C@H]2c1ccc(F)cc1 ZINC000585261801 559109355 /nfs/dbraw/zinc/10/93/55/559109355.db2.gz NSRULKCRGHIRBW-JTHBVZDNSA-N 0 3 400.469 3.824 40 0 HHABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000585261805 559109466 /nfs/dbraw/zinc/10/94/66/559109466.db2.gz NCGPEEREHPHNLZ-DEOSSOPVSA-N 0 3 410.533 3.733 40 0 HHABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000585262498 559111012 /nfs/dbraw/zinc/11/10/12/559111012.db2.gz GQAFRSVQNJLYOZ-OAQYLSRUSA-N 0 3 408.498 3.541 40 0 HHABHN CCOCCOc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 ZINC000585272972 559117296 /nfs/dbraw/zinc/11/72/96/559117296.db2.gz NYCSIIGVVVJDLV-UHFFFAOYSA-N 0 3 403.494 3.647 40 0 HHABHN CO[C@@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272748 559118187 /nfs/dbraw/zinc/11/81/87/559118187.db2.gz JKSRWOZUZCFRTH-DEOSSOPVSA-N 0 3 414.521 3.700 40 0 HHABHN CC(=O)N1CCN([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2ccccc2)C1 ZINC000585287303 559121038 /nfs/dbraw/zinc/12/10/38/559121038.db2.gz MIFZVESWBCLIAE-PQNGQFLHSA-N 0 3 402.579 3.566 40 0 HHABHN COc1ccc(CN[C@@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1 ZINC000100744447 559139537 /nfs/dbraw/zinc/13/95/37/559139537.db2.gz TYWVNVOJFSTEBR-HSZRJFAPSA-N 0 3 403.486 3.992 40 0 HHABHN CCN1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070470 559272788 /nfs/dbraw/zinc/27/27/88/559272788.db2.gz HKADMSCDXVRMBS-NRFANRHFSA-N 0 3 420.638 3.675 40 0 HHABHN CCN1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069903 559272815 /nfs/dbraw/zinc/27/28/15/559272815.db2.gz RJTBDPRPIQSYQY-JOCHJYFZSA-N 0 3 420.638 3.794 40 0 HHABHN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102706420 560732032 /nfs/dbraw/zinc/73/20/32/560732032.db2.gz XIRGTAFIESYEAK-BHIFYINESA-N 0 3 418.424 3.885 40 0 HHABHN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000225236882 568625064 /nfs/dbraw/zinc/62/50/64/568625064.db2.gz UEAJFDAGHUQASI-HSZRJFAPSA-N 0 3 414.505 3.815 40 0 HHABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(F)cc2)CCOCC1 ZINC000225573849 568652847 /nfs/dbraw/zinc/65/28/47/568652847.db2.gz XVESUZLIUISLMW-UHFFFAOYSA-N 0 3 412.505 3.987 40 0 HHABHN O=C(NCC1(c2ccccc2)CCOCC1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000225786555 568674727 /nfs/dbraw/zinc/67/47/27/568674727.db2.gz BPFYMNBCCPLXRQ-UHFFFAOYSA-N 0 3 410.533 3.902 40 0 HHABHN Nc1nc2c(c(N)n1)C[C@@]1(CCCN(Cc3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000257211476 568779337 /nfs/dbraw/zinc/77/93/37/568779337.db2.gz BZABKBXNAPDSEK-DEOSSOPVSA-N 0 3 401.514 3.668 40 0 HHABHN CCOc1ccc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1CO ZINC000257265470 568794297 /nfs/dbraw/zinc/79/42/97/568794297.db2.gz LYULIRBSLNFWND-UHFFFAOYSA-N 0 3 419.529 3.886 40 0 HHABHN CN(C)CCNC(=O)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 ZINC000257282815 568799391 /nfs/dbraw/zinc/79/93/91/568799391.db2.gz OVKHKVIEWGHQDY-UHFFFAOYSA-N 0 3 402.485 3.649 40 0 HHABHN CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257306135 568806280 /nfs/dbraw/zinc/80/62/80/568806280.db2.gz STBLQBJNIHCHCB-INIZCTEOSA-N 0 3 406.527 3.649 40 0 HHABHN Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(CC(=O)N3CCCCC3)CC2)n1 ZINC000257312183 568807891 /nfs/dbraw/zinc/80/78/91/568807891.db2.gz UMTZCIVKBURETJ-UHFFFAOYSA-N 0 3 411.525 3.860 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4sccc4C)C[C@H]32)cc1 ZINC000306126312 568889151 /nfs/dbraw/zinc/88/91/51/568889151.db2.gz DSHYZWBZAJXILH-NHCUHLMSSA-N 0 3 407.539 3.948 40 0 HHABHN COC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218591645 568938402 /nfs/dbraw/zinc/93/84/02/568938402.db2.gz PXATVBJBYUSZAX-OKZBNKHCSA-N 0 3 400.327 3.525 40 0 HHABHN CN(C)CCNc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)n1 ZINC000329008060 568972377 /nfs/dbraw/zinc/97/23/77/568972377.db2.gz LNTQQVRBIITHRH-UHFFFAOYSA-N 0 3 416.367 3.653 40 0 HHABHN COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(C)c2OC)C1 ZINC000227306283 569285222 /nfs/dbraw/zinc/28/52/22/569285222.db2.gz KWNXCXWEGLHDPT-WMZHIEFXSA-N 0 3 411.546 3.505 40 0 HHABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CC2)Cc2cn(Cc3ccccn3)c3cccc1c23 ZINC000049171668 291248050 /nfs/dbraw/zinc/24/80/50/291248050.db2.gz WLQIGGGCQPUEME-VXKWHMMOSA-N 0 3 402.542 3.965 40 0 biogenic,in-vitro HHABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cn1 ZINC000225932035 521799390 /nfs/dbraw/zinc/79/93/90/521799390.db2.gz ZZEGVWHCDFUCMJ-UHFFFAOYSA-N 0 3 401.510 3.697 40 0 HHABHN COc1ccc(CCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OC ZINC000044851742 523935233 /nfs/dbraw/zinc/93/52/33/523935233.db2.gz GTKKQJNMNYLWSO-UHFFFAOYSA-N 0 3 410.558 3.973 40 0 HHABHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccccc1 ZINC000004140182 557519310 /nfs/dbraw/zinc/51/93/10/557519310.db2.gz URMJABIZXOISIF-AQNXPRMDSA-N 0 3 405.841 3.786 40 0 HHABHN CC(=O)N(CC[C@](CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000005442038 557653831 /nfs/dbraw/zinc/65/38/31/557653831.db2.gz GTEPPJFJSNSNIH-QFIPXVFZSA-N 0 3 407.986 3.586 40 0 investigational HHABHN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)CC1C(=O)Nc1ccccc1F ZINC000019819112 558289274 /nfs/dbraw/zinc/28/92/74/558289274.db2.gz BKHAACMLAJTZOR-OAHLLOKOSA-N 0 3 416.836 3.918 40 0 HHABHN CCOc1ccc(CN2CCC(O)(c3ccccc3OC)CC2)cc1Cn1ccnc1 ZINC000012143839 558335711 /nfs/dbraw/zinc/33/57/11/558335711.db2.gz HYRFBQGUAKVINA-UHFFFAOYSA-N 0 3 421.541 3.822 40 0 HHABHN COc1c(C)cccc1CN1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182132 558343142 /nfs/dbraw/zinc/34/31/42/558343142.db2.gz XYXCXSVJAPNTOJ-HYVNUMGLSA-N 0 3 409.456 3.795 40 0 HHABHN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O)c2c(OC)cccc12 ZINC000012185820 558345236 /nfs/dbraw/zinc/34/52/36/558345236.db2.gz ZKRPPZPWUUASJH-INIZCTEOSA-N 0 3 409.482 3.969 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3cc(C)sc3C)CC1)C[C@H]2O ZINC000012241589 558360393 /nfs/dbraw/zinc/36/03/93/558360393.db2.gz PFTZKXRLFBVXKN-WOJBJXKFSA-N 0 3 403.544 3.758 40 0 HHABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293781 558367416 /nfs/dbraw/zinc/36/74/16/558367416.db2.gz QYBWBLLAOIVVBN-VXKWHMMOSA-N 0 3 424.541 3.728 40 0 HHABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000012328164 558383540 /nfs/dbraw/zinc/38/35/40/558383540.db2.gz ICZYOXMWZZFFFG-UHFFFAOYSA-N 0 3 409.505 3.580 40 0 HHABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012329921 558384921 /nfs/dbraw/zinc/38/49/21/558384921.db2.gz TYEDVSCINYRXPT-PMACEKPBSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)CCCC4)CC1)C[C@@H]2O ZINC000012330250 558385077 /nfs/dbraw/zinc/38/50/77/558385077.db2.gz OVCVEWHEMTXRCE-ZEQRLZLVSA-N 0 3 423.553 3.958 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000020634815 558395697 /nfs/dbraw/zinc/39/56/97/558395697.db2.gz WZQLYZRBEFTECI-QGZVFWFLSA-N 0 3 408.454 3.524 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000020798530 558414905 /nfs/dbraw/zinc/41/49/05/558414905.db2.gz SDFLBJFCJFXWKQ-HXUWFJFHSA-N 0 3 420.465 3.718 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000020798657 558415102 /nfs/dbraw/zinc/41/51/02/558415102.db2.gz GTVUZNHVKOGGBM-GOSISDBHSA-N 0 3 422.481 3.832 40 0 HHABHN Brc1ccc(OCc2ccccc2)c(CNCCCN2CCOCC2)c1 ZINC000022074054 558462277 /nfs/dbraw/zinc/46/22/77/558462277.db2.gz XCIMBSYQCRUCPK-UHFFFAOYSA-N 0 3 419.363 3.840 40 0 HHABHN CN1CCN(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000022935146 558526058 /nfs/dbraw/zinc/52/60/58/558526058.db2.gz QRCWDSJNCZRPAB-UHFFFAOYSA-N 0 3 418.006 4.000 40 0 HHABHN Fc1ccccc1COc1ccc(Br)cc1CNCCN1CCOCC1 ZINC000023468449 558559231 /nfs/dbraw/zinc/55/92/31/558559231.db2.gz IRMHDKWPSSKOSU-UHFFFAOYSA-N 0 3 423.326 3.589 40 0 HHABHN COc1ccc(CCNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1OC ZINC000028220631 558693087 /nfs/dbraw/zinc/69/30/87/558693087.db2.gz SBEUILKAJUHRCY-IBGZPJMESA-N 0 3 416.949 3.928 40 0 HHABHN CC[C@H]1c2ccsc2CCN1Cc1cn(CC(=O)NCCOC)c2ccccc12 ZINC000036741529 558802241 /nfs/dbraw/zinc/80/22/41/558802241.db2.gz LTOWTZPNJVKTBO-FQEVSTJZSA-N 0 3 411.571 3.975 40 0 HHABHN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101039778 558825636 /nfs/dbraw/zinc/82/56/36/558825636.db2.gz DVRPZJPCGJGFTH-FSSWDIPSSA-N 0 3 418.424 3.885 40 0 HHABHN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000101039778 558825637 /nfs/dbraw/zinc/82/56/37/558825637.db2.gz DVRPZJPCGJGFTH-FSSWDIPSSA-N 0 3 418.424 3.885 40 0 HHABHN COc1ccc(C)cc1CN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000019133342 558845776 /nfs/dbraw/zinc/84/57/76/558845776.db2.gz JTKVSXNOCCKINE-FUHWJXTLSA-N 0 3 409.456 3.795 40 0 HHABHN CCC[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000013751129 558864118 /nfs/dbraw/zinc/86/41/18/558864118.db2.gz QHTHISMPQZWDSL-KSZLIROESA-N 0 3 415.287 3.928 40 0 HHABHN O=C(c1cc([C@H]2CCCN(Cc3cccc4ccccc43)C2)no1)N1CCC(O)CC1 ZINC000019376376 558882394 /nfs/dbraw/zinc/88/23/94/558882394.db2.gz QHSCLKQYAGUKNC-FQEVSTJZSA-N 0 3 419.525 3.804 40 0 HHABHN CC(C)c1ccc(CN2CCC(c3cc(C(=O)N4CCC[C@@H](O)C4)on3)CC2)cc1 ZINC000019453182 558890547 /nfs/dbraw/zinc/89/05/47/558890547.db2.gz MCQCJLITEGENMT-OAQYLSRUSA-N 0 3 411.546 3.775 40 0 HHABHN COCCOc1ccc(CN2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1 ZINC000019454245 558891300 /nfs/dbraw/zinc/89/13/00/558891300.db2.gz MAXURXPNOOUVJB-UHFFFAOYSA-N 0 3 411.546 3.689 40 0 HHABHN CCCN1CCN(CC2=CCCOC2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503049 558900355 /nfs/dbraw/zinc/90/03/55/558900355.db2.gz GZBYXHCZHLNRRA-VWLOTQADSA-N 0 3 419.569 3.808 40 0 HHABHN CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)cc2N1 ZINC000019520596 558901740 /nfs/dbraw/zinc/90/17/40/558901740.db2.gz FEWVYYQVKIAZAK-BPQIPLTHSA-N 0 3 423.483 3.922 40 0 HHABHN CCc1cc(C(F)(F)F)nc(NC[C@H]2CN(C)C[C@@H]2c2ccc(OC)c(OC)c2)n1 ZINC000019522582 558904010 /nfs/dbraw/zinc/90/40/10/558904010.db2.gz LDMKHHSEDZYTMV-GOEBONIOSA-N 0 3 424.467 3.832 40 0 HHABHN COc1ccc(CN2CCC([C@@H](NC(=O)c3ccccn3)c3ccccn3)CC2)cc1 ZINC000019554970 558917923 /nfs/dbraw/zinc/91/79/23/558917923.db2.gz YBDGEJHAFQGZOX-XMMPIXPASA-N 0 3 416.525 3.869 40 0 HHABHN Cc1nc2ccccn2c1CN1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019555017 558917989 /nfs/dbraw/zinc/91/79/89/558917989.db2.gz KNDVENOQDWDVPU-YADARESESA-N 0 3 406.505 3.810 40 0 HHABHN Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2F)c(C)n1Cc1cccnc1 ZINC000019567523 558926660 /nfs/dbraw/zinc/92/66/60/558926660.db2.gz ZZEOBGKMYFDOFJ-VWNXMTODSA-N 0 3 406.505 3.797 40 0 HHABHN COc1ccc(OCCc2cc([C@H]3CCN(Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000072371729 558958627 /nfs/dbraw/zinc/95/86/27/558958627.db2.gz HXNQHWYRNQQLME-IBGZPJMESA-N 0 3 421.545 3.943 40 0 HHABHN COc1ccc(OCCc2cc([C@H]3CCN(Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000072371729 558958631 /nfs/dbraw/zinc/95/86/31/558958631.db2.gz HXNQHWYRNQQLME-IBGZPJMESA-N 0 3 421.545 3.943 40 0 HHABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371739 558959004 /nfs/dbraw/zinc/95/90/04/558959004.db2.gz USRYCXSWCIIBBN-KRWDZBQOSA-N 0 3 409.509 3.621 40 0 HHABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371739 558959007 /nfs/dbraw/zinc/95/90/07/558959007.db2.gz USRYCXSWCIIBBN-KRWDZBQOSA-N 0 3 409.509 3.621 40 0 HHABHN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(Cc3cnn(C)c3C)C2)c1 ZINC000019694082 558962367 /nfs/dbraw/zinc/96/23/67/558962367.db2.gz QGVBRYHMUQSHGU-IBGZPJMESA-N 0 3 420.561 3.640 40 0 HHABHN Cc1ccc([C@@H](CNC(=O)c2cnn3c2nc(C)cc3C(F)F)N2CCCC2)cc1 ZINC000072391757 558971466 /nfs/dbraw/zinc/97/14/66/558971466.db2.gz BQWCPLYMBHKFKL-LJQANCHMSA-N 0 3 413.472 3.851 40 0 HHABHN CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2ccncc2)C1 ZINC000072395947 558975051 /nfs/dbraw/zinc/97/50/51/558975051.db2.gz HHRUONSWPKAVKU-XMMPIXPASA-N 0 3 404.514 3.698 40 0 HHABHN O=C(CC1CCOCC1)NC1CC2(C1)CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000585103200 559026489 /nfs/dbraw/zinc/02/64/89/559026489.db2.gz MWLFTBLNWYTFGF-UHFFFAOYSA-N 0 3 422.573 3.754 40 0 HHABHN COc1ccc(CN2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)cc1 ZINC000096036985 559090734 /nfs/dbraw/zinc/09/07/34/559090734.db2.gz JXZNUHBVGDEKGI-UHFFFAOYSA-N 0 3 402.542 3.995 40 0 HHABHN CCN(CCN(C)C)C(=O)c1cnc(-c2noc3cc(NCC4CC4)ccc32)s1 ZINC000096266610 559107862 /nfs/dbraw/zinc/10/78/62/559107862.db2.gz CSFIFRCTVQLIGM-UHFFFAOYSA-N 0 3 413.547 3.797 40 0 HHABHN Cc1nccn1CCOc1cccc(CN2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585272040 559117792 /nfs/dbraw/zinc/11/77/92/559117792.db2.gz KXZZASVJWQLWQW-VWLOTQADSA-N 0 3 421.541 3.676 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000100569961 559136709 /nfs/dbraw/zinc/13/67/09/559136709.db2.gz AWYACEIVBOFBHB-FKBYEOEOSA-N 0 3 418.424 3.885 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102734905 559152366 /nfs/dbraw/zinc/15/23/66/559152366.db2.gz LRKJNSYVFCUHII-UFYCRDLUSA-N 0 3 405.841 3.786 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000102735992 559152372 /nfs/dbraw/zinc/15/23/72/559152372.db2.gz DVBZCJRJEDPHLH-AABGKKOBSA-N 0 3 405.841 3.786 40 0 HHABHN NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(CCOc3ccccc3)C2)c1 ZINC000072358894 559186102 /nfs/dbraw/zinc/18/61/02/559186102.db2.gz NCNIJLRRLICVKC-HXUWFJFHSA-N 0 3 402.498 3.501 40 0 HHABHN COc1ccc(OCCc2cc([C@H]3CN(CCc4ccccc4)CCO3)n[nH]2)cc1 ZINC000257201663 559282413 /nfs/dbraw/zinc/28/24/13/559282413.db2.gz AILVQVMYXDDDDS-XMMPIXPASA-N 0 3 407.514 3.656 40 0 HHABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccccc3)cc2c1 ZINC000000880691 560539694 /nfs/dbraw/zinc/53/96/94/560539694.db2.gz WXLLVEQLBGOHJO-UHFFFAOYSA-N 0 3 424.570 3.687 40 0 HHABHN Cc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000920026 560555258 /nfs/dbraw/zinc/55/52/58/560555258.db2.gz KLRNHKQJHMUKNA-UHFFFAOYSA-N 0 3 408.571 3.906 40 0 HHABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)ccc1Cl ZINC000014671949 560847777 /nfs/dbraw/zinc/84/77/77/560847777.db2.gz HKXVMSYONLHLLP-QGZVFWFLSA-N 0 3 402.281 3.939 40 0 HHABHN Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140977 560881445 /nfs/dbraw/zinc/88/14/45/560881445.db2.gz YBWVRNARCXQZPD-DEOSSOPVSA-N 0 3 416.573 3.679 40 0 HHABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1C(F)(F)F ZINC000025224577 568517539 /nfs/dbraw/zinc/51/75/39/568517539.db2.gz DDDGXXJWYHOEHQ-QGZVFWFLSA-N 0 3 401.388 3.651 40 0 HHABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccco1 ZINC000223259065 568543052 /nfs/dbraw/zinc/54/30/52/568543052.db2.gz TXUTUYUQGYDOOH-FCHUYYIVSA-N 0 3 423.586 3.675 40 0 HHABHN CCCc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncnc2n1 ZINC000026417129 568547743 /nfs/dbraw/zinc/54/77/43/568547743.db2.gz RGOVCMHUMCQSEH-UHFFFAOYSA-N 0 3 412.541 3.988 40 0 HHABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1Cc1ccccn1 ZINC000223525958 568550925 /nfs/dbraw/zinc/55/09/25/568550925.db2.gz JMMSNTZUDIXRJQ-FCHUYYIVSA-N 0 3 412.522 3.835 40 0 HHABHN COc1ccc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3)ccc2c1 ZINC000224803642 568597640 /nfs/dbraw/zinc/59/76/40/568597640.db2.gz DCYBJFUBKXAYSY-UHFFFAOYSA-N 0 3 410.539 3.923 40 0 HHABHN COc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)c2cccnc12 ZINC000225744571 568670359 /nfs/dbraw/zinc/67/03/59/568670359.db2.gz RTGMTGWOYHYOBF-UHFFFAOYSA-N 0 3 406.555 3.978 40 0 HHABHN CCOC(=O)c1ccc(C)c(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225743622 568670488 /nfs/dbraw/zinc/67/04/88/568670488.db2.gz ORIWSKNCIYZMEO-UHFFFAOYSA-N 0 3 411.571 3.907 40 0 HHABHN CCOC(=O)c1ccc(NC(=S)NCCCN2CCc3ccccc3C2)c(C)c1 ZINC000225743665 568670581 /nfs/dbraw/zinc/67/05/81/568670581.db2.gz IEDVFWIQYGJBBW-UHFFFAOYSA-N 0 3 411.571 3.907 40 0 HHABHN Cc1c(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)sc2[nH]cnc(=O)c12 ZINC000257198914 568775892 /nfs/dbraw/zinc/77/58/92/568775892.db2.gz LPPMVEHGZWXTBA-FAJBIJEISA-N 0 3 424.570 3.741 40 0 HHABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257201019 568776402 /nfs/dbraw/zinc/77/64/02/568776402.db2.gz AFVHOGQASGWDEB-QGZVFWFLSA-N 0 3 418.538 3.793 40 0 HHABHN Nc1nc2c(c(N)n1)C[C@]1(CCCN(Cc3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000257211477 568779325 /nfs/dbraw/zinc/77/93/25/568779325.db2.gz BZABKBXNAPDSEK-XMMPIXPASA-N 0 3 401.514 3.668 40 0 HHABHN O=C(CN1CCCCCC1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 ZINC000257301242 568804674 /nfs/dbraw/zinc/80/46/74/568804674.db2.gz RXQATGUDDKOXCQ-XMSQKQJNSA-N 0 3 406.954 3.745 40 0 HHABHN Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@H]3Cc2ccccc2)n1 ZINC000257323601 568811361 /nfs/dbraw/zinc/81/13/61/568811361.db2.gz WLAQEGACPWBLQQ-LYVDORBWSA-N 0 3 404.558 3.874 40 0 HHABHN Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)[n-]c(=O)n1 ZINC000257333945 568814137 /nfs/dbraw/zinc/81/41/37/568814137.db2.gz YDUGFOPLWIWUNL-CZLVRFMKSA-N 0 3 420.557 3.579 40 0 HHABHN Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)[n-]c(=O)n1 ZINC000257333945 568814139 /nfs/dbraw/zinc/81/41/39/568814139.db2.gz YDUGFOPLWIWUNL-CZLVRFMKSA-N 0 3 420.557 3.579 40 0 HHABHN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCCN(C)C)cc4)OCC[C@@]31C2 ZINC000257342069 568816676 /nfs/dbraw/zinc/81/66/76/568816676.db2.gz ZMYFNZCDDWXMKI-UVFBAWLLSA-N 0 3 400.563 3.646 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccc(C)s4)C[C@@H]32)cc1 ZINC000306130897 568893391 /nfs/dbraw/zinc/89/33/91/568893391.db2.gz JSFIJIDXVJLRLT-YADHBBJMSA-N 0 3 407.539 3.948 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccc(C)s4)C[C@H]32)cc1 ZINC000306130895 568893484 /nfs/dbraw/zinc/89/34/84/568893484.db2.gz JSFIJIDXVJLRLT-FGZHOGPDSA-N 0 3 407.539 3.948 40 0 HHABHN c1cncc(-c2ccc3nc([C@H]4CCCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306134611 568896527 /nfs/dbraw/zinc/89/65/27/568896527.db2.gz NTMPLAMSDFSABU-FQEVSTJZSA-N 0 3 413.481 3.900 40 0 HHABHN Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328965230 568970072 /nfs/dbraw/zinc/97/00/72/568970072.db2.gz CAYDSQGJSQRISQ-QGZVFWFLSA-N 0 3 405.340 3.539 40 0 HHABHN COc1cc(Br)c(C[C@@H]2NCCc3cc4c(cc32)OCO4)cc1OC ZINC000001668732 569143997 /nfs/dbraw/zinc/14/39/97/569143997.db2.gz AOQIPBCFAFHMRM-HNNXBMFYSA-N 0 3 406.276 3.625 40 0 HHABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000019552253 569345626 /nfs/dbraw/zinc/34/56/26/569345626.db2.gz RRHPAUUBXJDDLQ-WMZHIEFXSA-N 0 3 409.530 3.578 40 0 HHABHN COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000019498197 569345714 /nfs/dbraw/zinc/34/57/14/569345714.db2.gz OHARHGKLGGCDRI-NNPDTBDGSA-N 0 3 423.557 3.511 40 0 HHABHN CN(C)CCNc1nc(C(F)(F)F)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328965985 571304747 /nfs/dbraw/zinc/30/47/47/571304747.db2.gz CIAAHXBGPJTEDP-UHFFFAOYSA-N 0 3 409.243 4.215 40 0 HHABHN CN(C)CCNc1nc(NNc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 ZINC000328965985 571304748 /nfs/dbraw/zinc/30/47/48/571304748.db2.gz CIAAHXBGPJTEDP-UHFFFAOYSA-N 0 3 409.243 4.215 40 0 HHABHN Cc1cc(Br)ccc1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000328968038 571305697 /nfs/dbraw/zinc/30/56/97/571305697.db2.gz CWZJXLBFANUDRR-UHFFFAOYSA-N 0 3 418.261 4.283 40 0 HHABHN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1)c1cccs1 ZINC000020503651 575370259 /nfs/dbraw/zinc/37/02/59/575370259.db2.gz DGNBSYNQDZTEJJ-DLBZAZTESA-N 0 3 423.513 3.921 40 0 biogenic,in-vitro HHABHN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010691441 558259932 /nfs/dbraw/zinc/25/99/32/558259932.db2.gz BYNVQVYLZJZPJX-NRFANRHFSA-N 0 3 421.541 3.834 40 0 HHABHN CCCN1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 ZINC000019741245 558261852 /nfs/dbraw/zinc/26/18/52/558261852.db2.gz JSJMTGSQJPGDHB-IBGZPJMESA-N 0 3 408.546 3.862 40 0 HHABHN Cc1nc([C@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741472 558261964 /nfs/dbraw/zinc/26/19/64/558261964.db2.gz TWUCEDVRXMSFBR-FQEVSTJZSA-N 0 3 420.557 3.623 40 0 HHABHN COc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccncc3)CC2)nc1N ZINC000019766251 558278515 /nfs/dbraw/zinc/27/85/15/558278515.db2.gz KLVYYVFQGPCCSV-UHFFFAOYSA-N 0 3 417.513 3.699 40 0 HHABHN O=C1N[C@]2(COC3(C2)CCN(Cc2ccc(F)cc2)CC3)Nc2ccc(Cl)cc21 ZINC000012085550 558321436 /nfs/dbraw/zinc/32/14/36/558321436.db2.gz ZEQLBXISTIBXFU-JOCHJYFZSA-N 0 3 415.896 3.786 40 0 HHABHN CN(Cc1cc(-c2ccc(F)cc2)c[nH]c1=O)C[C@H](O)Cn1ccc2ccccc21 ZINC000012144081 558335700 /nfs/dbraw/zinc/33/57/00/558335700.db2.gz ICTBMDLLTRVHEH-QFIPXVFZSA-N 0 3 405.473 3.629 40 0 HHABHN CCOc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)cc1OC ZINC000012275482 558363868 /nfs/dbraw/zinc/36/38/68/558363868.db2.gz ARLHFSLWQDLOIQ-QGZVFWFLSA-N 0 3 409.534 3.715 40 0 HHABHN O=C(COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1)N1CCOCC1 ZINC000012293025 558365945 /nfs/dbraw/zinc/36/59/45/558365945.db2.gz KOEHXULNMIODOH-UHFFFAOYSA-N 0 3 412.505 3.622 40 0 HHABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012329914 558384800 /nfs/dbraw/zinc/38/48/00/558384800.db2.gz TYEDVSCINYRXPT-UXHICEINSA-N 0 3 403.906 3.733 40 0 HHABHN Cc1c(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000039756227 558687811 /nfs/dbraw/zinc/68/78/11/558687811.db2.gz CZJZBYJCEDEGIU-UHFFFAOYSA-N 0 3 418.541 3.644 40 0 HHABHN O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850732 558818837 /nfs/dbraw/zinc/81/88/37/558818837.db2.gz BYOHFUHOVJXHFQ-JOCHJYFZSA-N 0 3 411.977 3.896 40 0 HHABHN COc1ccccc1-c1ccc(C[C@]2(C(N)=O)CCN(Cc3cccc(C)n3)C2)cc1 ZINC000019236135 558855165 /nfs/dbraw/zinc/85/51/65/558855165.db2.gz GASCHUMLCRDZSZ-AREMUKBSSA-N 0 3 415.537 3.986 40 0 HHABHN Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@H]2CCCN(CCc3ccccn3)C2)C1 ZINC000019237335 558856423 /nfs/dbraw/zinc/85/64/23/558856423.db2.gz KVWQKKCKLKMUGY-PKTZIBPZSA-N 0 3 421.585 3.962 40 0 HHABHN Cc1ccnn1Cc1cc(C(=O)NC[C@H](C)N2CCC(C)CC2)c2ccccc2n1 ZINC000019238534 558857424 /nfs/dbraw/zinc/85/74/24/558857424.db2.gz LATOOILCRJSQEU-IBGZPJMESA-N 0 3 405.546 3.638 40 0 HHABHN O=C(c1cc(C2CCN(Cc3cccc4ccccc43)CC2)no1)N1CCOCC1 ZINC000019376368 558882266 /nfs/dbraw/zinc/88/22/66/558882266.db2.gz WPJPSOMNBXFNOF-UHFFFAOYSA-N 0 3 405.498 3.680 40 0 HHABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400430 558883206 /nfs/dbraw/zinc/88/32/06/558883206.db2.gz KJUIGHUOUUAGGZ-OFNKIYASSA-N 0 3 409.505 3.751 40 0 HHABHN CCCN1CCN(CC2=CCCOC2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502825 558900152 /nfs/dbraw/zinc/90/01/52/558900152.db2.gz LAXYPKJJKOTZIL-VWLOTQADSA-N 0 3 419.569 3.808 40 0 HHABHN CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000019523226 558904461 /nfs/dbraw/zinc/90/44/61/558904461.db2.gz CERXACPPLSKRGN-LVZFUZTISA-N 0 3 417.553 3.889 40 0 HHABHN COc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000019563115 558923475 /nfs/dbraw/zinc/92/34/75/558923475.db2.gz NRPMOWKOMQUZTR-FGZHOGPDSA-N 0 3 408.498 3.561 40 0 HHABHN COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019565078 558925179 /nfs/dbraw/zinc/92/51/79/558925179.db2.gz FKYXMOBZXJQLRN-LJQANCHMSA-N 0 3 418.545 3.855 40 0 HHABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000072330559 558934780 /nfs/dbraw/zinc/93/47/80/558934780.db2.gz RTJVJMQQJWTSBM-YKSBVNFPSA-N 0 3 423.557 3.968 40 0 HHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019591344 558941875 /nfs/dbraw/zinc/94/18/75/558941875.db2.gz BFAYRSIVHNJRER-RUZDIDTESA-N 0 3 400.526 3.715 40 0 HHABHN CC(=O)N1CCC(N2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346206 558943091 /nfs/dbraw/zinc/94/30/91/558943091.db2.gz ZSSNITNTBIKMEI-KRWDZBQOSA-N 0 3 413.953 3.570 40 0 HHABHN COc1ccc(CN(C(=O)c2cn3cc(Cl)ccc3n2)C2CCN(C)CC2)cc1 ZINC000019660754 558951988 /nfs/dbraw/zinc/95/19/88/558951988.db2.gz QVIYKPJJTBKACU-UHFFFAOYSA-N 0 3 412.921 3.733 40 0 HHABHN Cn1cc(CN2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371567 558958733 /nfs/dbraw/zinc/95/87/33/558958733.db2.gz AUJRKLGIPWTYEA-INIZCTEOSA-N 0 3 419.451 3.773 40 0 HHABHN Cn1cc(CN2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371567 558958734 /nfs/dbraw/zinc/95/87/34/558958734.db2.gz AUJRKLGIPWTYEA-INIZCTEOSA-N 0 3 419.451 3.773 40 0 HHABHN COc1ccc(NC(=O)CN2CCC[C@@H]2c2cc(Nc3cnccn3)cc(C)n2)cc1 ZINC000072372485 558959840 /nfs/dbraw/zinc/95/98/40/558959840.db2.gz HSQXNKJLJRNVQQ-OAQYLSRUSA-N 0 3 418.501 3.708 40 0 HHABHN O=C(CN1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCCC1 ZINC000072374493 558962189 /nfs/dbraw/zinc/96/21/89/558962189.db2.gz IOOHUEWHNXJWMJ-NRFANRHFSA-N 0 3 418.545 3.719 40 0 HHABHN Cc1c(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019694086 558962345 /nfs/dbraw/zinc/96/23/45/558962345.db2.gz GVCCAVYARGPEIK-SFHVURJKSA-N 0 3 408.525 3.770 40 0 HHABHN Cc1nn(C)cc1CN1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 ZINC000019694074 558962377 /nfs/dbraw/zinc/96/23/77/558962377.db2.gz NUKCDYJWCZYWBH-KRWDZBQOSA-N 0 3 408.525 3.770 40 0 HHABHN Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(Cc4ccncc4)C3)on2)cc1 ZINC000072395948 558975056 /nfs/dbraw/zinc/97/50/56/558975056.db2.gz NXOXFNPGQXOZAY-RUZDIDTESA-N 0 3 418.541 3.958 40 0 HHABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000072398552 558976015 /nfs/dbraw/zinc/97/60/15/558976015.db2.gz RRHPAUUBXJDDLQ-CVDCTZTESA-N 0 3 409.530 3.578 40 0 HHABHN O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(N[C@H]2CCOc3ccccc32)[n-]1 ZINC000019717482 558980036 /nfs/dbraw/zinc/98/00/36/558980036.db2.gz IDYLNCGZPINDLT-FQEVSTJZSA-N 0 3 417.513 3.893 40 0 HHABHN C[C@H]1CCCN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)[C@H]1C ZINC000257261590 558994976 /nfs/dbraw/zinc/99/49/76/558994976.db2.gz LHZUQDZNUSSQCI-STEAMIEHSA-N 0 3 402.539 3.507 40 0 HHABHN CN(C)c1ncc(C(=O)N2CCC[C@]3(CCCN3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100299 559023810 /nfs/dbraw/zinc/02/38/10/559023810.db2.gz ARFRHWPOBCMXEX-QFIPXVFZSA-N 0 3 418.488 3.680 40 0 HHABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@@H]3C)s1 ZINC000096062287 559094107 /nfs/dbraw/zinc/09/41/07/559094107.db2.gz VPKFKRHGQMTUOE-OAHLLOKOSA-N 0 3 405.589 3.604 40 0 HHABHN CNCC(=O)N1CCC(c2nc(C)cc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262921 559111651 /nfs/dbraw/zinc/11/16/51/559111651.db2.gz DQKBNDMXUNHQSP-UHFFFAOYSA-N 0 3 422.558 3.578 40 0 HHABHN O[C@]1(COc2ccccc2)CCCN(Cc2ccc(OCCCn3cccn3)cc2)C1 ZINC000585273696 559118329 /nfs/dbraw/zinc/11/83/29/559118329.db2.gz QKGYBCGCLYKRQT-RUZDIDTESA-N 0 3 421.541 3.758 40 0 HHABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000136458153 559277114 /nfs/dbraw/zinc/27/71/14/559277114.db2.gz AJAPTWKTHVPRHV-FDFHNCONSA-N 0 3 418.424 3.885 40 0 HHABHN COc1ccc([C@@H]2CN(C(=O)C3(C)CCN(Cc4ccccc4)CC3)CCN2C)cc1 ZINC000257249629 559284605 /nfs/dbraw/zinc/28/46/05/559284605.db2.gz JJDBVFLUVKMKBA-DEOSSOPVSA-N 0 3 421.585 3.813 40 0 HHABHN Cc1cccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccccc3)c(=O)[nH]c12 ZINC000001378314 560582067 /nfs/dbraw/zinc/58/20/67/560582067.db2.gz PYNHPXPNOURVGK-UHFFFAOYSA-N 0 3 404.514 3.966 40 0 HHABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000004133452 560600535 /nfs/dbraw/zinc/60/05/35/560600535.db2.gz JGXUUEVGXAQVIM-GOSISDBHSA-N 0 3 422.598 3.836 40 0 HHABHN CCOC(=O)C1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000409026960 560668102 /nfs/dbraw/zinc/66/81/02/560668102.db2.gz KTJQJBWBAVEYSY-UHFFFAOYSA-N 0 3 406.526 3.660 40 0 HHABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000010544245 560770362 /nfs/dbraw/zinc/77/03/62/560770362.db2.gz GHOLGJYYUCVBPS-KRWDZBQOSA-N 0 3 403.386 3.523 40 0 HHABHN CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020141121 560881387 /nfs/dbraw/zinc/88/13/87/560881387.db2.gz CAMIYSUTQMBXFL-NRFANRHFSA-N 0 3 400.546 3.652 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)c1 ZINC000004693701 568419197 /nfs/dbraw/zinc/41/91/97/568419197.db2.gz WTVQUSKAZVHUDT-BDTNDASRSA-N 0 3 418.424 3.885 40 0 HHABHN COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(C)c4)CC3)n2)cc1 ZINC000219407038 568491404 /nfs/dbraw/zinc/49/14/04/568491404.db2.gz XDETVSKQXHBQRQ-UHFFFAOYSA-N 0 3 420.513 3.582 40 0 HHABHN O=C(NCCCN1CCCc2ccccc21)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000219426950 568491842 /nfs/dbraw/zinc/49/18/42/568491842.db2.gz SFXGNQGLQNDVRJ-UHFFFAOYSA-N 0 3 409.549 3.997 40 0 HHABHN CC(C)C[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1 ZINC000022929729 568500611 /nfs/dbraw/zinc/50/06/11/568500611.db2.gz OYNQIALRDYCSBI-HXUWFJFHSA-N 0 3 402.612 3.820 40 0 HHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000223278635 568543796 /nfs/dbraw/zinc/54/37/96/568543796.db2.gz FGMUWQWXXPBINH-LEWJYISDSA-N 0 3 409.534 3.546 40 0 HHABHN CCc1cc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC ZINC000223688760 568556278 /nfs/dbraw/zinc/55/62/78/568556278.db2.gz KBNZZCVURDQLJK-UHFFFAOYSA-N 0 3 404.532 3.531 40 0 HHABHN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000224419834 568580826 /nfs/dbraw/zinc/58/08/26/568580826.db2.gz TYBAQKQSSABVHX-FUHWJXTLSA-N 0 3 400.494 3.932 40 0 HHABHN CCN1CCN(Cc2ccc(O)cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257282383 568799091 /nfs/dbraw/zinc/79/90/91/568799091.db2.gz OTOCTCCIIPZHIM-QHCPKHFHSA-N 0 3 415.537 3.977 40 0 HHABHN CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)CC1 ZINC000257343020 568816941 /nfs/dbraw/zinc/81/69/41/568816941.db2.gz ZRBWPVUONSXYIR-QFIPXVFZSA-N 0 3 409.549 3.957 40 0 HHABHN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306131325 568893732 /nfs/dbraw/zinc/89/37/32/568893732.db2.gz KCAHHJJLPOIXNZ-ISKFKSNPSA-N 0 3 419.550 3.540 40 0 HHABHN Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23CN(C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139183 568900877 /nfs/dbraw/zinc/90/08/77/568900877.db2.gz SRMVJUOZJKXZBS-UYLMIGBBSA-N 0 3 412.578 3.521 40 0 HHABHN O=C(C1CCC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306140010 568901849 /nfs/dbraw/zinc/90/18/49/568901849.db2.gz UGZWZUJTFIIFQI-UHFFFAOYSA-N 0 3 420.557 3.656 40 0 HHABHN CCOC[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218625246 568942050 /nfs/dbraw/zinc/94/20/50/568942050.db2.gz RQRWOMWEVYHYQF-QHAWAJNXSA-N 0 3 407.963 3.824 40 0 HHABHN COc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000009063007 569342280 /nfs/dbraw/zinc/34/22/80/569342280.db2.gz UCDHEEQXHPPFHB-UHFFFAOYSA-N 0 3 407.558 3.564 40 0 HHABHN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010333193 569343884 /nfs/dbraw/zinc/34/38/84/569343884.db2.gz WSLPJHNZPZOUAJ-UHFFFAOYSA-N 0 3 409.530 3.691 40 0 HHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC1)O2 ZINC000019219274 569345322 /nfs/dbraw/zinc/34/53/22/569345322.db2.gz MQIIQCGDWOTLOZ-ZPMCFJSWSA-N 0 3 409.526 3.703 40 0 HHABHN CNC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2cnc(C)s2)C1 ZINC000019703583 569347539 /nfs/dbraw/zinc/34/75/39/569347539.db2.gz ADNVGRIJMORDNE-QFIPXVFZSA-N 0 3 410.543 3.596 40 0 HHABHN CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc(OC)cc2)C1 ZINC000019703462 569428749 /nfs/dbraw/zinc/42/87/49/569428749.db2.gz ZGZUUGKLGZFBOA-DEOSSOPVSA-N 0 3 405.498 3.531 40 0 HHABHN CNc1cc(CN(C)C(=O)C2(c3cccc(F)c3)CCCC2)nc([C@@H]2CCCN2)n1 ZINC000019759822 569429402 /nfs/dbraw/zinc/42/94/02/569429402.db2.gz KLAYMJJBMKPZAH-IBGZPJMESA-N 0 3 411.525 3.552 40 0 HHABHN CNc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2)nc([C@@H]2CCCN2)n1 ZINC000019759994 569429700 /nfs/dbraw/zinc/42/97/00/569429700.db2.gz WNZXGIFUHYIGHD-NRFANRHFSA-N 0 3 401.514 3.882 40 0 HHABHN O=C(Nc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298323 571037456 /nfs/dbraw/zinc/03/74/56/571037456.db2.gz GVJQUGKOTMFGIV-PTUXOGIPSA-N 0 3 407.562 3.750 40 0 biogenic,in-vitro HHABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CCC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171753 291248043 /nfs/dbraw/zinc/24/80/43/291248043.db2.gz AOTZVXQUVHDXSO-SFTDATJTSA-N 0 3 419.573 3.693 40 0 biogenic,in-vitro HHABHN CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4cccc(C)c4)CC3)ccc21 ZINC000012291586 132357997 /nfs/dbraw/zinc/35/79/97/132357997.db2.gz WVLXMXUTDIFBCC-XMMPIXPASA-N 0 3 422.569 3.701 40 0 HHABHN COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OC ZINC000044851744 523934933 /nfs/dbraw/zinc/93/49/33/523934933.db2.gz UOMUFNVHMUZVDK-UHFFFAOYSA-N 0 3 410.558 3.973 40 0 HHABHN CCOc1ccc(CCN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000004573489 557569162 /nfs/dbraw/zinc/56/91/62/557569162.db2.gz LCZFVNDUBJSTQE-SFHVURJKSA-N 0 3 416.905 3.602 40 0 HHABHN CCOc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)O[C@H](C)C2 ZINC000012135196 558333543 /nfs/dbraw/zinc/33/35/43/558333543.db2.gz SLQLSONPABPDES-RGRJCUODSA-N 0 3 408.542 3.923 40 0 HHABHN CN(Cc1cc(-c2ccc(F)cc2)c[nH]c1=O)C[C@@H](O)Cn1ccc2ccccc21 ZINC000012144080 558335635 /nfs/dbraw/zinc/33/56/35/558335635.db2.gz ICTBMDLLTRVHEH-JOCHJYFZSA-N 0 3 405.473 3.629 40 0 HHABHN COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000020228406 558349568 /nfs/dbraw/zinc/34/95/68/558349568.db2.gz VBVGWPSWVXWACW-UHFFFAOYSA-N 0 3 422.928 3.879 40 0 HHABHN Nc1nc(-c2cccs2)c(CC(=O)N2CCCC[C@@H]2CN2CCCCC2)s1 ZINC000012238240 558359192 /nfs/dbraw/zinc/35/91/92/558359192.db2.gz BNHHYXUKWWYNND-OAHLLOKOSA-N 0 3 404.605 3.863 40 0 HHABHN COc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OCc1c(C)noc1C ZINC000012241335 558360379 /nfs/dbraw/zinc/36/03/79/558360379.db2.gz IBIOWXHAVJVBHT-DEOSSOPVSA-N 0 3 408.498 3.973 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3cc(C)sc3C)CC1)C[C@@H]2O ZINC000012241593 558360512 /nfs/dbraw/zinc/36/05/12/558360512.db2.gz PFTZKXRLFBVXKN-PMACEKPBSA-N 0 3 403.544 3.758 40 0 HHABHN CCOc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)cc1OC ZINC000012275486 558363913 /nfs/dbraw/zinc/36/39/13/558363913.db2.gz ARLHFSLWQDLOIQ-KRWDZBQOSA-N 0 3 409.534 3.715 40 0 HHABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012329533 558384251 /nfs/dbraw/zinc/38/42/51/558384251.db2.gz ITQPRZQOEJCCPQ-DHIUTWEWSA-N 0 3 405.494 3.930 40 0 HHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329765 558384598 /nfs/dbraw/zinc/38/45/98/558384598.db2.gz GFKMZNTXUDFXMH-VQTJNVASSA-N 0 3 403.906 3.733 40 0 HHABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(C(C)C)cc1 ZINC000020636826 558396154 /nfs/dbraw/zinc/39/61/54/558396154.db2.gz QEBLNBFSYKRZKY-YADHBBJMSA-N 0 3 419.525 3.575 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(OC)c1 ZINC000020798545 558415136 /nfs/dbraw/zinc/41/51/36/558415136.db2.gz OZCRCDGMAZZCGE-LJQANCHMSA-N 0 3 408.454 3.524 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1OCC ZINC000020798574 558415172 /nfs/dbraw/zinc/41/51/72/558415172.db2.gz OJGPTNAQOGNHKZ-GOSISDBHSA-N 0 3 422.481 3.914 40 0 HHABHN COc1cc(CNCCN(C)C)cc(Br)c1OCc1ccccc1F ZINC000022075625 558462449 /nfs/dbraw/zinc/46/24/49/558462449.db2.gz KTHGPXSHQUFBGI-UHFFFAOYSA-N 0 3 411.315 3.827 40 0 HHABHN Cc1nc(N2CCOCC2)sc1CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036752906 558803021 /nfs/dbraw/zinc/80/30/21/558803021.db2.gz FBQPBSHKLNGLOW-KRWDZBQOSA-N 0 3 411.575 3.619 40 0 HHABHN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000100932825 558810660 /nfs/dbraw/zinc/81/06/60/558810660.db2.gz XIRGTAFIESYEAK-FKBYEOEOSA-N 0 3 418.424 3.885 40 0 HHABHN COc1ccc(CCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1OC ZINC000038848974 558818488 /nfs/dbraw/zinc/81/84/88/558818488.db2.gz BNMDRQRVHVRAHO-IBGZPJMESA-N 0 3 416.949 3.928 40 0 HHABHN CC1CCN(Cc2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)CC1 ZINC000038856619 558819398 /nfs/dbraw/zinc/81/93/98/558819398.db2.gz YODUONKDFVFIEF-UHFFFAOYSA-N 0 3 415.559 3.567 40 0 HHABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2c(C)cc4ccncc42)C3)cc1OC ZINC000019127136 558844700 /nfs/dbraw/zinc/84/47/00/558844700.db2.gz UBZMIASPQGDSMK-KEVCNVLYSA-N 0 3 421.541 3.920 40 0 HHABHN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000019290169 558862649 /nfs/dbraw/zinc/86/26/49/558862649.db2.gz XJGJKLADMPNRNH-IBGZPJMESA-N 0 3 420.536 3.996 40 0 HHABHN Fc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019333964 558869213 /nfs/dbraw/zinc/86/92/13/558869213.db2.gz APDWSLHLGXIDTD-SFHVURJKSA-N 0 3 406.509 3.986 40 0 HHABHN O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CCN(CC2=CCCOC2)CC1 ZINC000019370400 558878525 /nfs/dbraw/zinc/87/85/25/558878525.db2.gz WDIPOTFPPGYIAP-RUZDIDTESA-N 0 3 405.542 3.540 40 0 HHABHN O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(CC2=CCCOC2)CC1 ZINC000019370398 558878571 /nfs/dbraw/zinc/87/85/71/558878571.db2.gz WDIPOTFPPGYIAP-VWLOTQADSA-N 0 3 405.542 3.540 40 0 HHABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400433 558883166 /nfs/dbraw/zinc/88/31/66/558883166.db2.gz KJUIGHUOUUAGGZ-NFBKMPQASA-N 0 3 409.505 3.751 40 0 HHABHN CC(C)c1ccc(CN2CCC(c3cc(C(=O)N4CCC[C@H](O)C4)on3)CC2)cc1 ZINC000019453184 558890515 /nfs/dbraw/zinc/89/05/15/558890515.db2.gz MCQCJLITEGENMT-NRFANRHFSA-N 0 3 411.546 3.775 40 0 HHABHN Cc1cc(-c2cc3nc(C4CCN(Cc5cccnc5)CC4)cc(N)n3n2)c(C)o1 ZINC000072337461 558937906 /nfs/dbraw/zinc/93/79/06/558937906.db2.gz CBHCLFAJODGQNW-UHFFFAOYSA-N 0 3 402.502 3.963 40 0 HHABHN COc1ccccc1CN1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584451 558938411 /nfs/dbraw/zinc/93/84/11/558938411.db2.gz WSHQXMRBELCQGR-IBGZPJMESA-N 0 3 403.530 3.993 40 0 HHABHN Cc1cnc(Nc2cc([C@H]3CCCN3C(=O)C3(N)CCCCC3)nc(C)n2)s1 ZINC000072360846 558955780 /nfs/dbraw/zinc/95/57/80/558955780.db2.gz ZDFVABQRDZNXAQ-MRXNPFEDSA-N 0 3 400.552 3.619 40 0 HHABHN CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393082 558972820 /nfs/dbraw/zinc/97/28/20/558972820.db2.gz OYWOELBBDPNZCE-IBGZPJMESA-N 0 3 420.513 3.619 40 0 HHABHN CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393082 558972822 /nfs/dbraw/zinc/97/28/22/558972822.db2.gz OYWOELBBDPNZCE-IBGZPJMESA-N 0 3 420.513 3.619 40 0 HHABHN Cc1nc(CN2C(=O)CC[C@]23CCCN(Cc2nc4ccccn4c2C)CC3)cs1 ZINC000585100845 559025538 /nfs/dbraw/zinc/02/55/38/559025538.db2.gz YPCFGTYINNPFGQ-QHCPKHFHSA-N 0 3 423.586 3.955 40 0 HHABHN COCCNC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053363 559093278 /nfs/dbraw/zinc/09/32/78/559093278.db2.gz IYGFSRFRLJTEHA-GOSISDBHSA-N 0 3 414.571 3.802 40 0 HHABHN O=C1CCCC[C@]2(CN(CCOc3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)N1 ZINC000585261765 559109381 /nfs/dbraw/zinc/10/93/81/559109381.db2.gz IGNLCYXPSYPNFD-JTHBVZDNSA-N 0 3 400.469 3.872 40 0 HHABHN CNC(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000585261873 559109548 /nfs/dbraw/zinc/10/95/48/559109548.db2.gz FTBBTDMAQXSBQA-SANMLTNESA-N 0 3 415.537 3.940 40 0 HHABHN COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019553402 560873909 /nfs/dbraw/zinc/87/39/09/560873909.db2.gz SIKFFWSOXKRKRA-HSZRJFAPSA-N 0 3 424.593 3.837 40 0 HHABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccco1 ZINC000223259005 568542995 /nfs/dbraw/zinc/54/29/95/568542995.db2.gz TXUTUYUQGYDOOH-YADHBBJMSA-N 0 3 423.586 3.675 40 0 HHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000223278380 568543873 /nfs/dbraw/zinc/54/38/73/568543873.db2.gz CGEKLCCIYNRTRZ-LEWJYISDSA-N 0 3 409.534 3.546 40 0 HHABHN O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000260905704 568743838 /nfs/dbraw/zinc/74/38/38/568743838.db2.gz RSQTYRNRDQDHSS-ZWKOTPCHSA-N 0 3 400.906 3.508 40 0 HHABHN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OCCN(C)C)OCC[C@@]31C2 ZINC000257208050 568778538 /nfs/dbraw/zinc/77/85/38/568778538.db2.gz BKLXZOKJGUDKDI-CZRIRQFQSA-N 0 3 400.563 3.646 40 0 HHABHN Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)n1 ZINC000257217575 568781251 /nfs/dbraw/zinc/78/12/51/568781251.db2.gz CZOFIEFBNGSLNT-NRFANRHFSA-N 0 3 420.517 3.897 40 0 HHABHN c1[nH]nc(-c2ccccc2)c1CN1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306131950 568894119 /nfs/dbraw/zinc/89/41/19/568894119.db2.gz KTSYEJGMZKFOCG-UKILVPOCSA-N 0 3 417.557 3.775 40 0 HHABHN Cc1c(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)sc2[nH]cnc(=O)c12 ZINC000257198913 569058962 /nfs/dbraw/zinc/05/89/62/569058962.db2.gz LPPMVEHGZWXTBA-DODZYUBVSA-N 0 3 424.570 3.741 40 0 HHABHN COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000253594129 569318161 /nfs/dbraw/zinc/31/81/61/569318161.db2.gz OHARHGKLGGCDRI-BSWQBHCVSA-N 0 3 423.557 3.511 40 0 HHABHN COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000018056145 569383495 /nfs/dbraw/zinc/38/34/95/569383495.db2.gz DVRPZJPCGJGFTH-FKBYEOEOSA-N 0 3 418.424 3.885 40 0 HHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccnc2)n1 ZINC000329022248 571304609 /nfs/dbraw/zinc/30/46/09/571304609.db2.gz OMTWCLBHWAJEOR-UHFFFAOYSA-N 0 3 402.424 4.275 40 0 HHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccncc2)n1 ZINC000328989752 571304721 /nfs/dbraw/zinc/30/47/21/571304721.db2.gz IMILUGGIOHMHOD-UHFFFAOYSA-N 0 3 402.424 4.275 40 0 HHABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCCC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049172000 291248075 /nfs/dbraw/zinc/24/80/75/291248075.db2.gz UMHLXHOGZOPKOF-SFTDATJTSA-N 0 3 419.573 3.647 40 0 biogenic,in-vitro HHABHN CCOc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000020177406 520954277 /nfs/dbraw/zinc/95/42/77/520954277.db2.gz LCZFVNDUBJSTQE-GOSISDBHSA-N 0 3 416.905 3.602 40 0 HHABHN COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044908576 524967351 /nfs/dbraw/zinc/96/73/51/524967351.db2.gz VOONAAFNEOAFQK-IEBWSBKVSA-N 0 3 400.494 3.630 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000004070128 557509461 /nfs/dbraw/zinc/50/94/61/557509461.db2.gz JYJQMKATQMDTHU-FKBYEOEOSA-N 0 3 400.434 3.746 40 0 HHABHN COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000035289924 557673184 /nfs/dbraw/zinc/67/31/84/557673184.db2.gz SFVWCAGQHNRVLV-QHCPKHFHSA-N 0 3 424.593 3.837 40 0 HHABHN CCCN1C(=O)CCc2c(C)nc(C3CCN(Cc4c(C)nn(CC)c4C)CC3)nc21 ZINC000019739353 558260297 /nfs/dbraw/zinc/26/02/97/558260297.db2.gz IOKZNHADRVZUEA-UHFFFAOYSA-N 0 3 424.593 3.687 40 0 HHABHN O=C(Cn1cc(NC(=O)c2ccc(F)cc2)cn1)Nc1ccccc1CN1CCCC1 ZINC000019749886 558269902 /nfs/dbraw/zinc/26/99/02/558269902.db2.gz NGXXICXEHGUJJW-UHFFFAOYSA-N 0 3 421.476 3.509 40 0 HHABHN COCCCNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012146449 558337876 /nfs/dbraw/zinc/33/78/76/558337876.db2.gz JTDRUUJTQHUNRW-UHFFFAOYSA-N 0 3 406.461 3.646 40 0 HHABHN O=c1[nH]c2c(cc1CN[C@@H]1CCCOC1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000012186499 558345642 /nfs/dbraw/zinc/34/56/42/558345642.db2.gz GDPSTOBREOTQPA-LJQANCHMSA-N 0 3 418.472 3.789 40 0 HHABHN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020450662 558365541 /nfs/dbraw/zinc/36/55/41/558365541.db2.gz BHZFMWSYDCKLRV-UHFFFAOYSA-N 0 3 423.557 3.937 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3cn(C)c4ccccc34)CC1)C[C@H]2O ZINC000012293224 558366167 /nfs/dbraw/zinc/36/61/67/558366167.db2.gz LDRJKFZBZHDVFR-PKTZIBPZSA-N 0 3 422.525 3.571 40 0 HHABHN CCn1cc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c2ccccc21 ZINC000012293284 558366521 /nfs/dbraw/zinc/36/65/21/558366521.db2.gz JFUABABIVMGFJS-DHIUTWEWSA-N 0 3 422.525 3.751 40 0 HHABHN Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000012329197 558384008 /nfs/dbraw/zinc/38/40/08/558384008.db2.gz SFQVDQSCFWJEJT-RTWAWAEBSA-N 0 3 410.489 4.000 40 0 HHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329767 558384528 /nfs/dbraw/zinc/38/45/28/558384528.db2.gz GFKMZNTXUDFXMH-PMACEKPBSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c[nH]c4cc(C)ccc43)CC1)C[C@@H]2O ZINC000012329705 558384588 /nfs/dbraw/zinc/38/45/88/558384588.db2.gz NBQFGPXMSLARDR-GOTSBHOMSA-N 0 3 422.525 3.869 40 0 HHABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330294 558385451 /nfs/dbraw/zinc/38/54/51/558385451.db2.gz DIPNPKADAGYUON-PKTZIBPZSA-N 0 3 409.526 3.655 40 0 HHABHN CCCCN(CCCC)CN1C(=O)C(=Cc2ccc(NC(C)=O)cc2)NC1=S ZINC000033493145 558769091 /nfs/dbraw/zinc/76/90/91/558769091.db2.gz NWRZHSNLESRIFN-XMHGGMMESA-N 0 3 402.564 3.562 40 0 HHABHN COc1ccc(NC(=O)C2(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CCCCC2)cc1 ZINC000016036075 558769642 /nfs/dbraw/zinc/76/96/42/558769642.db2.gz JPOZDPITGXJBJC-MOPGFXCFSA-N 0 3 421.541 3.618 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000100799305 558796054 /nfs/dbraw/zinc/79/60/54/558796054.db2.gz HXJRKUHQBVJCQZ-AABGKKOBSA-N 0 3 424.840 3.993 40 0 HHABHN COc1ccc(CN2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000019019596 558837544 /nfs/dbraw/zinc/83/75/44/558837544.db2.gz QUCPNANEXSEAES-CPJSRVTESA-N 0 3 424.541 3.726 40 0 HHABHN CN1CCC(N(C[C@H]2CCCO2)C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000019082401 558840123 /nfs/dbraw/zinc/84/01/23/558840123.db2.gz SWUKBEDKZRBBQR-SJLPKXTDSA-N 0 3 403.567 3.541 40 0 HHABHN Cc1ccc(OC[C@H](O)CN(C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)c(C)c1 ZINC000019132761 558845617 /nfs/dbraw/zinc/84/56/17/558845617.db2.gz ISQKABFSZHBAND-GCJKJVERSA-N 0 3 409.530 3.903 40 0 HHABHN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019209723 558848044 /nfs/dbraw/zinc/84/80/44/558848044.db2.gz YWHNCRFMMXMLFY-OAQYLSRUSA-N 0 3 408.546 3.553 40 0 HHABHN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019209723 558848046 /nfs/dbraw/zinc/84/80/46/558848046.db2.gz YWHNCRFMMXMLFY-OAQYLSRUSA-N 0 3 408.546 3.553 40 0 HHABHN Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@H]2CCCN(CCc3ccccn3)C2)C1 ZINC000019237336 558856407 /nfs/dbraw/zinc/85/64/07/558856407.db2.gz KVWQKKCKLKMUGY-GOTSBHOMSA-N 0 3 421.585 3.962 40 0 HHABHN CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2cnn(C)c2)C1 ZINC000019529192 558910772 /nfs/dbraw/zinc/91/07/72/558910772.db2.gz AVBKSVLQMZCOKL-RUZDIDTESA-N 0 3 402.542 3.658 40 0 HHABHN CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2nccn2CC)C1 ZINC000019529197 558911070 /nfs/dbraw/zinc/91/10/70/558911070.db2.gz VLRNFVRDVXKNBL-VWLOTQADSA-N 0 3 417.557 3.536 40 0 HHABHN CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2cnn(C)c2)C1 ZINC000019529193 558911152 /nfs/dbraw/zinc/91/11/52/558911152.db2.gz AVBKSVLQMZCOKL-VWLOTQADSA-N 0 3 402.542 3.658 40 0 HHABHN CCOc1cc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)ccc1OC ZINC000019531960 558912166 /nfs/dbraw/zinc/91/21/66/558912166.db2.gz RJCCUZDTZHGAEX-YESZJQIVSA-N 0 3 421.492 3.588 40 0 HHABHN CC(=O)Nc1ccc(OCC(=O)N2CCC(c3cc4c[nH]ccc-4n3)CC2)cc1C ZINC000019570917 558929746 /nfs/dbraw/zinc/92/97/46/558929746.db2.gz OSDZNYIWZXRIBK-UHFFFAOYSA-N 0 3 406.486 3.615 40 0 HHABHN CC(=O)Nc1ccc(OCC(=O)N2CCC(c3cc4cnccc4[nH]3)CC2)cc1C ZINC000019570917 558929748 /nfs/dbraw/zinc/92/97/48/558929748.db2.gz OSDZNYIWZXRIBK-UHFFFAOYSA-N 0 3 406.486 3.615 40 0 HHABHN Cc1occc1-c1nc(N2CCN(C3CCCCC3)CC2)ncc1-c1cnccn1 ZINC000019583049 558937591 /nfs/dbraw/zinc/93/75/91/558937591.db2.gz WTZJMMDQNMMUJT-UHFFFAOYSA-N 0 3 404.518 3.957 40 0 HHABHN CN(C(=O)c1ccn(C(F)F)n1)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590888 558940948 /nfs/dbraw/zinc/94/09/48/558940948.db2.gz ADZPFZOBDLAFSD-UHFFFAOYSA-N 0 3 404.461 3.556 40 0 HHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019591321 558941739 /nfs/dbraw/zinc/94/17/39/558941739.db2.gz UNDYSUJQPKFDHG-VWLOTQADSA-N 0 3 400.526 3.715 40 0 HHABHN Cc1cccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)c1 ZINC000019689671 558959246 /nfs/dbraw/zinc/95/92/46/558959246.db2.gz YHOAWKREGYUTJJ-QFIPXVFZSA-N 0 3 415.541 3.954 40 0 HHABHN Cc1nc2cc(C)ccn2c1CN1CCC[C@H](c2nc(C)c3c(n2)N(C)CCC3)C1 ZINC000019707035 558969312 /nfs/dbraw/zinc/96/93/12/558969312.db2.gz PCRVWICQLBLPKI-IBGZPJMESA-N 0 3 404.562 3.812 40 0 HHABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000019707379 558969652 /nfs/dbraw/zinc/96/96/52/558969652.db2.gz AFUMEXZVAPDLCV-NRFANRHFSA-N 0 3 413.525 3.808 40 0 HHABHN Cc1nn(C)cc1-c1cc(C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2n1 ZINC000019716519 558978567 /nfs/dbraw/zinc/97/85/67/558978567.db2.gz MLNDGWJGSSIKHS-UHFFFAOYSA-N 0 3 405.546 3.938 40 0 HHABHN Cc1cccc2[nH]c(C(=O)N3CCC[C@](O)(CN4CCC(F)(F)CC4)CC3)cc21 ZINC000585183667 559070420 /nfs/dbraw/zinc/07/04/20/559070420.db2.gz OFXMQRWZOKGPNX-OAQYLSRUSA-N 0 3 405.489 3.565 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000095396967 559081064 /nfs/dbraw/zinc/08/10/64/559081064.db2.gz BBDZXTPMYXECLD-AABGKKOBSA-N 0 3 406.463 3.808 40 0 HHABHN COCCN(C)c1nc(C2CCN(Cc3ccc(F)cc3)CC2)cc2c1ncn2C ZINC000096099963 559095185 /nfs/dbraw/zinc/09/51/85/559095185.db2.gz VMYAOOQMUJAIHP-UHFFFAOYSA-N 0 3 411.525 3.570 40 0 HHABHN COc1cccc(CC(=O)N2CC[C@]3(C2)CCCN(CCOc2ccccc2)C3)c1 ZINC000096216392 559102047 /nfs/dbraw/zinc/10/20/47/559102047.db2.gz WSRKGCKPOPOUEV-RUZDIDTESA-N 0 3 408.542 3.631 40 0 HHABHN Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2cnccn2)Cc2ccccc23)o1 ZINC000096242594 559104092 /nfs/dbraw/zinc/10/40/92/559104092.db2.gz FXRWLZWCJRMONS-UHFFFAOYSA-N 0 3 402.498 3.568 40 0 HHABHN O=S1(=O)[C@@H]2CCN(Cc3ccccc3)CC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000096263694 559107184 /nfs/dbraw/zinc/10/71/84/559107184.db2.gz AGUIHLYCRHCPHU-TZIWHRDSSA-N 0 3 404.963 3.766 40 0 HHABHN CNC(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000585261872 559109531 /nfs/dbraw/zinc/10/95/31/559109531.db2.gz FTBBTDMAQXSBQA-AREMUKBSSA-N 0 3 415.537 3.940 40 0 HHABHN COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000100517706 559136122 /nfs/dbraw/zinc/13/61/22/559136122.db2.gz JYJQMKATQMDTHU-FSSWDIPSSA-N 0 3 400.434 3.746 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000100517706 559136125 /nfs/dbraw/zinc/13/61/25/559136125.db2.gz JYJQMKATQMDTHU-FSSWDIPSSA-N 0 3 400.434 3.746 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(O)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102729524 559152311 /nfs/dbraw/zinc/15/23/11/559152311.db2.gz IGUTXHYMHKWJIM-ACRUOGEOSA-N 0 3 404.397 3.582 40 0 HHABHN COc1ccc(CN2CCC[C@]3(CN(CCc4ccccc4)C(=O)CO3)CC2)cc1 ZINC000257314406 559282853 /nfs/dbraw/zinc/28/28/53/559282853.db2.gz UWVAKQPUGVTKAB-RUZDIDTESA-N 0 3 408.542 3.521 40 0 HHABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)COC3CCCCC3)cc2)n1 ZINC000257238859 559284103 /nfs/dbraw/zinc/28/41/03/559284103.db2.gz HMVPBRYZDWGTCD-JOCHJYFZSA-N 0 3 415.578 3.721 40 0 HHABHN COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000880614 560539671 /nfs/dbraw/zinc/53/96/71/560539671.db2.gz PSKDPUGWDCYCCY-UHFFFAOYSA-N 0 3 424.570 3.606 40 0 HHABHN CCN1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)CCC5)cc2)CC1 ZINC000013564187 560816489 /nfs/dbraw/zinc/81/64/89/560816489.db2.gz UEASNPGGXYWNPX-UHFFFAOYSA-N 0 3 402.542 3.771 40 0 HHABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CN[C@@H](C)[C@@H](O)c3ccccc3)o2)c1 ZINC000022108575 568475332 /nfs/dbraw/zinc/47/53/32/568475332.db2.gz WVEWBMQVSGHADS-OYHNWAKOSA-N 0 3 423.465 3.732 40 0 HHABHN CCN1CCN(CCCNC(=O)c2cc3sccc3n2Cc2ccccc2)CC1 ZINC000022586310 568487204 /nfs/dbraw/zinc/48/72/04/568487204.db2.gz AQDOSYRBIRVKJB-UHFFFAOYSA-N 0 3 410.587 3.509 40 0 HHABHN COc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000219404407 568491247 /nfs/dbraw/zinc/49/12/47/568491247.db2.gz URVFGBFSCLJXSN-UHFFFAOYSA-N 0 3 420.513 3.616 40 0 HHABHN Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599451 568519964 /nfs/dbraw/zinc/51/99/64/568519964.db2.gz ZAQNYSTUALQUMO-LJQANCHMSA-N 0 3 408.477 3.713 40 0 HHABHN COc1cc(C)c(CN2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257227653 568784402 /nfs/dbraw/zinc/78/44/02/568784402.db2.gz FQHDJBAURLRWLV-HXUWFJFHSA-N 0 3 424.589 3.775 40 0 HHABHN CCN1CCC[C@@H](NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257245151 568788814 /nfs/dbraw/zinc/78/88/14/568788814.db2.gz IOGGSOFKKZCKJO-HSZRJFAPSA-N 0 3 407.558 3.688 40 0 HHABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257252783 568791067 /nfs/dbraw/zinc/79/10/67/568791067.db2.gz JWDCIJPBCHNVNX-KRWDZBQOSA-N 0 3 403.486 3.870 40 0 HHABHN O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](N(Cc2ccc(F)cc2)C2CCCC2)C1 ZINC000257295424 568803216 /nfs/dbraw/zinc/80/32/16/568803216.db2.gz QYFZHUKRIMXSGD-GOTSBHOMSA-N 0 3 412.505 3.952 40 0 HHABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000257298591 568803960 /nfs/dbraw/zinc/80/39/60/568803960.db2.gz RMJXJENTGXBRFK-QFIPXVFZSA-N 0 3 416.529 3.626 40 0 HHABHN CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257306136 568806322 /nfs/dbraw/zinc/80/63/22/568806322.db2.gz STBLQBJNIHCHCB-MRXNPFEDSA-N 0 3 406.527 3.649 40 0 HHABHN Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H](N)CC(C)C)CC[C@H]3O[C@@H]21 ZINC000257330795 568813421 /nfs/dbraw/zinc/81/34/21/568813421.db2.gz XQBOYYVCTWKYRK-HXUPBZAASA-N 0 3 400.563 3.834 40 0 HHABHN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OCCN(C)C)c4)OCC[C@@]31C2 ZINC000257333812 568814070 /nfs/dbraw/zinc/81/40/70/568814070.db2.gz YDDRRYRWQPXRSC-UVFBAWLLSA-N 0 3 400.563 3.646 40 0 HHABHN CN1CC2(CCN(Cc3ccsc3)CC2)c2nc(-c3ccccc3)ncc2C1=O ZINC000306127825 568890746 /nfs/dbraw/zinc/89/07/46/568890746.db2.gz GIOOMRWCEBAKBQ-UHFFFAOYSA-N 0 3 404.539 3.825 40 0 HHABHN Cn1[n-]c2c(c1=O)CN(Cc1cccs1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306134618 568896624 /nfs/dbraw/zinc/89/66/24/568896624.db2.gz NTRMSILTWPFDIN-UHFFFAOYSA-N 0 3 408.571 3.737 40 0 HHABHN COC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218589519 568938504 /nfs/dbraw/zinc/93/85/04/568938504.db2.gz QZBLKSMVNIQJEB-OKZBNKHCSA-N 0 3 400.327 3.525 40 0 HHABHN COC[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218591598 568938511 /nfs/dbraw/zinc/93/85/11/568938511.db2.gz PXATVBJBYUSZAX-BZSNNMDCSA-N 0 3 400.327 3.525 40 0 HHABHN CCOC[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611317 568939754 /nfs/dbraw/zinc/93/97/54/568939754.db2.gz COKOVRNILPZULJ-FHWLQOOXSA-N 0 3 414.354 3.915 40 0 HHABHN CCOC[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218625409 568942071 /nfs/dbraw/zinc/94/20/71/568942071.db2.gz RQRWOMWEVYHYQF-PCCBWWKXSA-N 0 3 407.963 3.824 40 0 HHABHN Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329063462 568975235 /nfs/dbraw/zinc/97/52/35/568975235.db2.gz XEWASYSVNAKFQT-KRWDZBQOSA-N 0 3 405.340 3.539 40 0 HHABHN COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cc(C)ccc2OC)C1 ZINC000247946403 569315867 /nfs/dbraw/zinc/31/58/67/569315867.db2.gz WRCBTIFPQOLMCF-YADARESESA-N 0 3 411.546 3.505 40 0 HHABHN CCn1cc(CN2CCC3(CC2)CC=CCN(CCc2ccccc2)C3=O)c(C)n1 ZINC000019742673 569348763 /nfs/dbraw/zinc/34/87/63/569348763.db2.gz SQGNMRCNJQAECO-UHFFFAOYSA-N 0 3 406.574 3.825 40 0 HHABHN CCOC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514472 569387929 /nfs/dbraw/zinc/38/79/29/569387929.db2.gz COKOVRNILPZULJ-IPMKNSEASA-N 0 3 414.354 3.915 40 0 HHABHN CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635484 291249846 /nfs/dbraw/zinc/24/98/46/291249846.db2.gz DPIMMZJQQRRVLU-NNWRFLSQSA-N 0 3 417.557 3.737 40 0 biogenic,in-vitro HHABHN CCN(CC)[C@@H](CNC(=O)C12C[C@H]3C[C@H](CC(NC(C)=O)(C3)C1)C2)c1ccsc1 ZINC000031988532 520832337 /nfs/dbraw/zinc/83/23/37/520832337.db2.gz VKIJUZANMBVFMC-ONJKIAEZSA-N 0 3 417.619 3.722 40 0 HHABHN CCN(CC)CCOC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1 ZINC000003211297 557456620 /nfs/dbraw/zinc/45/66/20/557456620.db2.gz OWXTYOWJITXXJA-UHFFFAOYSA-N 0 3 412.515 3.629 40 0 HHABHN COc1ccc(CCN(C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1OC ZINC000035262654 557657484 /nfs/dbraw/zinc/65/74/84/557657484.db2.gz MKHWKJZDCVYFJF-HBMCJLEFSA-N 0 3 403.563 3.548 40 0 HHABHN COC[C@@H](C)NCc1cc2c(-c3ccc(F)cc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186493 558345592 /nfs/dbraw/zinc/34/55/92/558345592.db2.gz ZUOHWZDQWZKSNA-OAHLLOKOSA-N 0 3 406.461 3.644 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)C[C@@H]2O ZINC000012329741 558384569 /nfs/dbraw/zinc/38/45/69/558384569.db2.gz YQEYMLMMDKTXRW-VQTJNVASSA-N 0 3 403.906 3.733 40 0 HHABHN CCOC(=O)Cn1cc(CN2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012344280 558386649 /nfs/dbraw/zinc/38/66/49/558386649.db2.gz KHBAACRZUNLQHN-UHFFFAOYSA-N 0 3 422.525 3.697 40 0 HHABHN Cc1nnc(SCc2cc(=O)[nH]c(NC(=N)Nc3ccc(C)c(Cl)c3)n2)s1 ZINC000013634088 558553305 /nfs/dbraw/zinc/55/33/05/558553305.db2.gz OGJJPLCOQKTGTJ-UHFFFAOYSA-N 0 3 421.939 3.643 40 0 HHABHN COc1ccc2nc(CN3CCC(c4cc(N)n5nc(C)cc5n4)CC3)ccc2c1 ZINC000019129416 558845169 /nfs/dbraw/zinc/84/51/69/558845169.db2.gz NUDNZCIAICQJIW-UHFFFAOYSA-N 0 3 402.502 3.556 40 0 HHABHN Cc1cc2c(cc1Br)[C@H](O)[C@@](CN1CCCCC1)(N1CCCCC1)CO2 ZINC000019203060 558847490 /nfs/dbraw/zinc/84/74/90/558847490.db2.gz PRCHEBOJKXRRQR-SFTDATJTSA-N 0 3 423.395 3.894 40 0 HHABHN Cc1ccc([C@@]2(O)CC[C@@H]3CN(Cc4cccc(OC[C@@H]5CCCO5)c4)C[C@@H]32)nc1 ZINC000019216134 558850307 /nfs/dbraw/zinc/85/03/07/558850307.db2.gz NYLABVKBHLPRLJ-KUVYTWDVSA-N 0 3 408.542 3.677 40 0 HHABHN COc1ccccc1-c1ccccc1C[C@H]1CN(Cc2cccc(C)n2)CCNC1=O ZINC000019236294 558855363 /nfs/dbraw/zinc/85/53/63/558855363.db2.gz HXGMCMSJBJMYFJ-NRFANRHFSA-N 0 3 415.537 3.856 40 0 HHABHN Cc1ccccc1OC[C@@H]1CCCN(C(=O)C2CCN(CCc3ccccn3)CC2)C1 ZINC000019237337 558856428 /nfs/dbraw/zinc/85/64/28/558856428.db2.gz AORFESIFKMXUBY-JOCHJYFZSA-N 0 3 421.585 3.962 40 0 HHABHN O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC000019339244 558871220 /nfs/dbraw/zinc/87/12/20/558871220.db2.gz YOFDCGCCVLLMLT-WXFUMESZSA-N 0 3 416.500 3.746 40 0 HHABHN C[C@H](CN(C)C)Nc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019455935 558891808 /nfs/dbraw/zinc/89/18/08/558891808.db2.gz WYPJNLCHGCWSPM-QGZVFWFLSA-N 0 3 420.536 3.598 40 0 HHABHN C[C@@H]1CCCN(CC(C)(C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019496536 558895354 /nfs/dbraw/zinc/89/53/54/558895354.db2.gz UMOVQTQKNZSTDD-QGZVFWFLSA-N 0 3 403.530 3.932 40 0 HHABHN CCOc1ncccc1C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019531358 558911921 /nfs/dbraw/zinc/91/19/21/558911921.db2.gz NFFIAVFPVVINBM-UHFFFAOYSA-N 0 3 409.530 3.758 40 0 HHABHN CCOc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1OC ZINC000019533865 558913257 /nfs/dbraw/zinc/91/32/57/558913257.db2.gz CJVSQYSCAWKBLP-KRWDZBQOSA-N 0 3 413.547 3.721 40 0 HHABHN CN(C(=O)c1ccc(CN2CCCCC2)o1)c1nc2c(s1)[C@H]1CC[C@@H](C2)N1C ZINC000072325670 558933372 /nfs/dbraw/zinc/93/33/72/558933372.db2.gz PNTGDHHSLQECGQ-WMLDXEAASA-N 0 3 400.548 3.690 40 0 HHABHN CN(C)C(=O)Cn1cccc2c(CN(C)CCc3ccccc3)c(C(F)(F)F)nc1-2 ZINC000019581290 558936917 /nfs/dbraw/zinc/93/69/17/558936917.db2.gz DEVOIFLHJPADPY-UHFFFAOYSA-N 0 3 418.463 3.769 40 0 HHABHN O=C(COc1ccc(F)cc1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355216 558952586 /nfs/dbraw/zinc/95/25/86/558952586.db2.gz JKDHCGQCRYSQIF-IBGZPJMESA-N 0 3 411.521 3.545 40 0 HHABHN COc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cc1 ZINC000072358402 558954078 /nfs/dbraw/zinc/95/40/78/558954078.db2.gz GBSVCCPSUKGLNC-FQEVSTJZSA-N 0 3 402.498 3.631 40 0 HHABHN Cc1cnc(Nc2cc([C@@H]3CCCN3C(=O)C3(N)CCCCC3)nc(C)n2)s1 ZINC000072360845 558955764 /nfs/dbraw/zinc/95/57/64/558955764.db2.gz ZDFVABQRDZNXAQ-INIZCTEOSA-N 0 3 400.552 3.619 40 0 HHABHN CCC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCN(C)C ZINC000072370662 558957215 /nfs/dbraw/zinc/95/72/15/558957215.db2.gz AFADYJQBDLBPJQ-KRWDZBQOSA-N 0 3 415.603 3.916 40 0 HHABHN Cc1nn(C)cc1CN1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 ZINC000019694073 558962361 /nfs/dbraw/zinc/96/23/61/558962361.db2.gz NUKCDYJWCZYWBH-QGZVFWFLSA-N 0 3 408.525 3.770 40 0 HHABHN Cc1c(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cnn1C ZINC000072376657 558966071 /nfs/dbraw/zinc/96/60/71/558966071.db2.gz JMNWUKLZVFNZQX-KRWDZBQOSA-N 0 3 408.525 3.770 40 0 HHABHN CCOc1ccc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1OC ZINC000072395324 558974090 /nfs/dbraw/zinc/97/40/90/558974090.db2.gz MKJRYAUJEOTHNY-OAHLLOKOSA-N 0 3 417.460 3.849 40 0 HHABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398634 558976161 /nfs/dbraw/zinc/97/61/61/558976161.db2.gz CCFVDMDIPDHLOZ-RDPSFJRHSA-N 0 3 416.525 3.869 40 0 HHABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000072398626 558976169 /nfs/dbraw/zinc/97/61/69/558976169.db2.gz HOILGRASXBMNSQ-XXBNENTESA-N 0 3 404.489 3.999 40 0 HHABHN CCc1nc(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)sc1C ZINC000019715496 558976505 /nfs/dbraw/zinc/97/65/05/558976505.db2.gz LPFSJHTVKWDVTO-CQSZACIVSA-N 0 3 415.538 3.923 40 0 HHABHN Cc1nn(C)cc1-c1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)[nH]n1 ZINC000019718754 558982141 /nfs/dbraw/zinc/98/21/41/558982141.db2.gz BFEWKXQAVGXJLY-QHCPKHFHSA-N 0 3 420.561 3.774 40 0 HHABHN COc1ccc(CN2CCC[C@]3(CCCN3C(=O)c3snnc3C)CC2)cc1 ZINC000585100806 559025456 /nfs/dbraw/zinc/02/54/56/559025456.db2.gz XGISQILWQVUFEW-NRFANRHFSA-N 0 3 400.548 3.516 40 0 HHABHN COc1ccc(CN2CCC(Nc3nc(C)nc4sc(C)cc43)CC2)cc1CO ZINC000585292930 559125507 /nfs/dbraw/zinc/12/55/07/559125507.db2.gz PXLYMUHVEUKIIK-UHFFFAOYSA-N 0 3 412.559 3.886 40 0 HHABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccc(OCc3ccccc3)cc2)C1 ZINC000101039309 559142893 /nfs/dbraw/zinc/14/28/93/559142893.db2.gz AYJXZURDIOKQON-RBBKRZOGSA-N 0 3 411.546 3.864 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000102735988 559152315 /nfs/dbraw/zinc/15/23/15/559152315.db2.gz DVBZCJRJEDPHLH-UFYCRDLUSA-N 0 3 405.841 3.786 40 0 HHABHN COc1ccc(-c2cccc(CC3(C(=O)NCCN4CCCC4)CCOCC3)c2)cc1 ZINC000257258070 559284747 /nfs/dbraw/zinc/28/47/47/559284747.db2.gz KSHRADFJUMOIJB-UHFFFAOYSA-N 0 3 422.569 3.914 40 0 HHABHN CN(C)CCNC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 ZINC000257268925 559285000 /nfs/dbraw/zinc/28/50/00/559285000.db2.gz MNUZERCCUXYPGH-UHFFFAOYSA-N 0 3 402.485 3.649 40 0 HHABHN Cc1ccc2cc(CN(CCN3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000004231325 560603080 /nfs/dbraw/zinc/60/30/80/560603080.db2.gz ZJBRACOZHOVRID-UHFFFAOYSA-N 0 3 410.562 3.777 40 0 HHABHN COc1ccc(S(=O)(=O)[N-]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1Cl ZINC000010544012 560770371 /nfs/dbraw/zinc/77/03/71/560770371.db2.gz PTGLRMYHWVWWGR-BETUJISGSA-N 0 3 409.379 3.648 40 0 HHABHN COc1ccc(S(=O)(=O)[N-]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1Cl ZINC000010544012 560770372 /nfs/dbraw/zinc/77/03/72/560770372.db2.gz PTGLRMYHWVWWGR-BETUJISGSA-N 0 3 409.379 3.648 40 0 HHABHN CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020141119 560881461 /nfs/dbraw/zinc/88/14/61/560881461.db2.gz CAMIYSUTQMBXFL-OAQYLSRUSA-N 0 3 400.546 3.652 40 0 HHABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000004937767 568425238 /nfs/dbraw/zinc/42/52/38/568425238.db2.gz ABBALDGNDSAVGV-VSKRKVRLSA-N 0 3 400.434 3.746 40 0 HHABHN COc1ccc(OC[C@@H](O)CN(C)Cc2c3cccnc3[nH]c2-c2ccco2)cc1 ZINC000057773474 568497653 /nfs/dbraw/zinc/49/76/53/568497653.db2.gz FLFPZOUWPMQDJP-INIZCTEOSA-N 0 3 407.470 3.703 40 0 HHABHN O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222595388 568519864 /nfs/dbraw/zinc/51/98/64/568519864.db2.gz YXHCKUGWKIPSQR-SFHVURJKSA-N 0 3 410.905 3.918 40 0 HHABHN Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222599634 568519981 /nfs/dbraw/zinc/51/99/81/568519981.db2.gz UODCIHPZTAGIRD-LJQANCHMSA-N 0 3 408.477 3.713 40 0 HHABHN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223277175 568543861 /nfs/dbraw/zinc/54/38/61/568543861.db2.gz ZSXXYERVFWUJHH-FCHUYYIVSA-N 0 3 405.571 3.715 40 0 HHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000223278139 568543881 /nfs/dbraw/zinc/54/38/81/568543881.db2.gz NYOPEYKDNMTXLF-LEWJYISDSA-N 0 3 409.534 3.546 40 0 HHABHN CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 ZINC000257219739 568781786 /nfs/dbraw/zinc/78/17/86/568781786.db2.gz DHYZESIJVQJYBP-INIZCTEOSA-N 0 3 423.608 3.583 40 0 HHABHN c1cc(-c2ccc3nc([C@@H]4CCCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306125661 568888305 /nfs/dbraw/zinc/88/83/05/568888305.db2.gz CXFGWGXFCBCPDN-HXUWFJFHSA-N 0 3 413.481 3.900 40 0 HHABHN CC(C)n1cnc([C@H]2CN(Cc3ccccc3F)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306131374 568893718 /nfs/dbraw/zinc/89/37/18/568893718.db2.gz KCUFCLVHQPOPAK-HYBUGGRVSA-N 0 3 410.537 3.831 40 0 HHABHN c1[nH]nc(-c2ccccc2)c1CN1CCO[C@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306131948 568894208 /nfs/dbraw/zinc/89/42/08/568894208.db2.gz KTSYEJGMZKFOCG-ILBGXUMGSA-N 0 3 417.557 3.775 40 0 HHABHN COC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218589382 568938437 /nfs/dbraw/zinc/93/84/37/568938437.db2.gz QZBLKSMVNIQJEB-FGTMMUONSA-N 0 3 400.327 3.525 40 0 HHABHN Oc1ccc2c3c1O[C@@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 ZINC000584577922 569048666 /nfs/dbraw/zinc/04/86/66/569048666.db2.gz ZHVWWEYETMPAMX-CCOBIDFTSA-N 0 3 415.489 3.838 40 0 HHABHN CC(C)c1ccc(OCc2cc([C@@H]3CCN(Cc4cnc(N(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704497 569347630 /nfs/dbraw/zinc/34/76/30/569347630.db2.gz INXKTKJRFAHERJ-HXUWFJFHSA-N 0 3 420.561 3.958 40 0 HHABHN COc1ccc(-n2ncc(CNC(C)=O)c2[C@@H]2CCN(Cc3ccc(F)cc3)C2)cc1 ZINC000019707858 569348101 /nfs/dbraw/zinc/34/81/01/569348101.db2.gz IDKHFSWGXKIFFL-LJQANCHMSA-N 0 3 422.504 3.646 40 0 HHABHN CNc1cc(CC2CCN(Cc3cnc(-c4ccc(OC)cc4)nc3)CC2)nc(C)n1 ZINC000019758929 569348833 /nfs/dbraw/zinc/34/88/33/569348833.db2.gz GQWFPPQWIODCGG-UHFFFAOYSA-N 0 3 418.545 3.747 40 0 HHABHN O=c1c(-c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000020503183 575369310 /nfs/dbraw/zinc/36/93/10/575369310.db2.gz LZVHJXLQFBURQO-DOTOQJQBSA-N 0 3 410.901 3.873 40 0 biogenic,in-vitro HHABHN c1[nH]c2ccccc2c1Cc1nnc([C@H]2CCN(Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049169766 291260302 /nfs/dbraw/zinc/26/03/02/291260302.db2.gz VTXNROARQHTBTM-INIZCTEOSA-N 0 3 402.454 3.860 40 0 biogenic,in-vitro HHABHN Cc1nc(C2CCN(Cc3cccc4cccnc43)CC2)nc2c1CCC(=O)N2C ZINC000019739551 558260547 /nfs/dbraw/zinc/26/05/47/558260547.db2.gz OBONHDTZTZMJRG-UHFFFAOYSA-N 0 3 401.514 3.622 40 0 HHABHN COC[C@H](C)NCc1cc2c(-c3ccc(F)cc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186496 558345574 /nfs/dbraw/zinc/34/55/74/558345574.db2.gz ZUOHWZDQWZKSNA-HNNXBMFYSA-N 0 3 406.461 3.644 40 0 HHABHN Cc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1C ZINC000012186597 558345626 /nfs/dbraw/zinc/34/56/26/558345626.db2.gz DYUMMQSHVKGZPU-UHFFFAOYSA-N 0 3 409.555 3.616 40 0 HHABHN COc1cc(CN2CC[C@](O)(c3ccccc3)C2)ccc1OCc1c(C)noc1C ZINC000012241340 558360534 /nfs/dbraw/zinc/36/05/34/558360534.db2.gz IBIOWXHAVJVBHT-XMMPIXPASA-N 0 3 408.498 3.973 40 0 HHABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330302 558385455 /nfs/dbraw/zinc/38/54/55/558385455.db2.gz DIPNPKADAGYUON-XZOQPEGZSA-N 0 3 409.526 3.655 40 0 HHABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000020636821 558396081 /nfs/dbraw/zinc/39/60/81/558396081.db2.gz QEBLNBFSYKRZKY-FGZHOGPDSA-N 0 3 419.525 3.575 40 0 HHABHN COc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000035828107 558795435 /nfs/dbraw/zinc/79/54/35/558795435.db2.gz YVUFEZLYZUOAFD-PWAGRJGVSA-N 0 3 405.498 3.582 40 0 HHABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccc(OCc3ccccc3)cc2)C1 ZINC000038541262 558812654 /nfs/dbraw/zinc/81/26/54/558812654.db2.gz AYJXZURDIOKQON-IRLDBZIGSA-N 0 3 411.546 3.864 40 0 HHABHN COCCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)n2c3ccccc3nc21 ZINC000039963988 558823043 /nfs/dbraw/zinc/82/30/43/558823043.db2.gz GYCRDQYDYWRDOM-HXUWFJFHSA-N 0 3 406.486 3.606 40 0 HHABHN Cc1cc2c(cc1Br)[C@@H](O)[C@@](CN1CCCCC1)(N1CCCCC1)CO2 ZINC000019203065 558847588 /nfs/dbraw/zinc/84/75/88/558847588.db2.gz PRCHEBOJKXRRQR-RTWAWAEBSA-N 0 3 423.395 3.894 40 0 HHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3c[nH]c4ccc(C)cc43)CC1)O2 ZINC000019220553 558851822 /nfs/dbraw/zinc/85/18/22/558851822.db2.gz CKAVJTDNQINBCN-GOTSBHOMSA-N 0 3 422.525 3.869 40 0 HHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000013689309 558855336 /nfs/dbraw/zinc/85/53/36/558855336.db2.gz RAXYROGTNMRWJD-FKBYEOEOSA-N 0 3 400.434 3.752 40 0 HHABHN O=C(c1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC000019339256 558871232 /nfs/dbraw/zinc/87/12/32/558871232.db2.gz KSIWKXVFHSZAJY-HJOGWXRNSA-N 0 3 416.500 3.746 40 0 HHABHN CCCN1CCN(CC2=CCCOC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503260 558900514 /nfs/dbraw/zinc/90/05/14/558900514.db2.gz XTLXJQFAZNSOPN-DEOSSOPVSA-N 0 3 419.569 3.808 40 0 HHABHN CCn1cc(CN2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)c(C)n1 ZINC000019524523 558905735 /nfs/dbraw/zinc/90/57/35/558905735.db2.gz LGNWPASWZGGLLH-UHFFFAOYSA-N 0 3 406.456 3.961 40 0 HHABHN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)n[nH]1 ZINC000019577851 558933762 /nfs/dbraw/zinc/93/37/62/558933762.db2.gz HYTFPQHZMUJTHV-UHFFFAOYSA-N 0 3 422.533 3.544 40 0 HHABHN Cc1nc2nc(C)c(CCC(=O)Nc3ccccc3CN3CCCCC3)c(C)n2n1 ZINC000019578495 558934132 /nfs/dbraw/zinc/93/41/32/558934132.db2.gz YIJJVTFXTKNPIV-UHFFFAOYSA-N 0 3 406.534 3.607 40 0 HHABHN COc1ccccc1CN1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584449 558938496 /nfs/dbraw/zinc/93/84/96/558938496.db2.gz WSHQXMRBELCQGR-LJQANCHMSA-N 0 3 403.530 3.993 40 0 HHABHN C[C@@H](CN1CCN(c2c(F)cccc2[C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000072340567 558939354 /nfs/dbraw/zinc/93/93/54/558939354.db2.gz LYYGHRWBSCRPAV-MBSDFSHPSA-N 0 3 408.521 3.567 40 0 HHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019591345 558941955 /nfs/dbraw/zinc/94/19/55/558941955.db2.gz BFAYRSIVHNJRER-VWLOTQADSA-N 0 3 400.526 3.715 40 0 HHABHN Cc1ccccc1OC1CCN(Cc2c(=O)n3ccccc3nc2N2CCCC2)CC1 ZINC000019659038 558950743 /nfs/dbraw/zinc/95/07/43/558950743.db2.gz WTOPZHOUXPJYPD-UHFFFAOYSA-N 0 3 418.541 3.647 40 0 HHABHN Cn1nccc1CN1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371593 558958783 /nfs/dbraw/zinc/95/87/83/558958783.db2.gz VSUFZGGQZAYUMK-HNNXBMFYSA-N 0 3 419.451 3.773 40 0 HHABHN Cn1nccc1CN1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371593 558958785 /nfs/dbraw/zinc/95/87/85/558958785.db2.gz VSUFZGGQZAYUMK-HNNXBMFYSA-N 0 3 419.451 3.773 40 0 HHABHN Cc1c(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cnn1C ZINC000072376658 558966168 /nfs/dbraw/zinc/96/61/68/558966168.db2.gz JMNWUKLZVFNZQX-QGZVFWFLSA-N 0 3 408.525 3.770 40 0 HHABHN COc1ccccc1/C=C/CN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000072395702 558974848 /nfs/dbraw/zinc/97/48/48/558974848.db2.gz QWOSEFQRPFHJFG-PDGPTWFESA-N 0 3 421.467 4.000 40 0 HHABHN Cc1noc(C)c1CN1CCC2(CC1)CN(C(=O)c1ccc[nH]1)Cc1ccccc12 ZINC000096079612 559094791 /nfs/dbraw/zinc/09/47/91/559094791.db2.gz ZQMZBVVXNFHEND-UHFFFAOYSA-N 0 3 404.514 3.809 40 0 HHABHN O=C(NCCc1cccc(F)c1)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 ZINC000096155933 559100120 /nfs/dbraw/zinc/10/01/20/559100120.db2.gz QHCDXXNIMZETHL-UHFFFAOYSA-N 0 3 420.532 3.583 40 0 HHABHN CN(C)c1cccc(C(=O)N2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC000096220995 559102016 /nfs/dbraw/zinc/10/20/16/559102016.db2.gz YFDXUBDBONWDTJ-QHCPKHFHSA-N 0 3 407.558 3.648 40 0 HHABHN Cc1cc(C(=O)N2Cc3ccccc3C3(CCN(Cc4c(C)noc4C)CC3)C2)no1 ZINC000096242605 559104205 /nfs/dbraw/zinc/10/42/05/559104205.db2.gz FPXHYCQLGZSPAA-UHFFFAOYSA-N 0 3 420.513 3.778 40 0 HHABHN Cc1nccn1CCOc1cccc(CN2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585272035 559117823 /nfs/dbraw/zinc/11/78/23/559117823.db2.gz KXZZASVJWQLWQW-RUZDIDTESA-N 0 3 421.541 3.676 40 0 HHABHN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCN4CCC[C@H]4C3)c12 ZINC000017082253 559122583 /nfs/dbraw/zinc/12/25/83/559122583.db2.gz NZTGNSVSLLDOKS-IBGZPJMESA-N 0 3 401.514 3.527 40 0 HHABHN CC(=O)N1CCN(Cc2ccccc2OCCN2CCCC2)C[C@@H]1c1ccccc1 ZINC000257343125 559283617 /nfs/dbraw/zinc/28/36/17/559283617.db2.gz ZRODUBRVNYUCSK-XMMPIXPASA-N 0 3 407.558 3.567 40 0 HHABHN COc1ccc(-c2cccc(CC3(C(=O)NC4CCN(C)CC4)CCOCC3)c2)cc1 ZINC000257288278 559285583 /nfs/dbraw/zinc/28/55/83/559285583.db2.gz PTPCMGHCFSQHAP-UHFFFAOYSA-N 0 3 422.569 3.912 40 0 HHABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000000880619 560539678 /nfs/dbraw/zinc/53/96/78/560539678.db2.gz JITHWUMWXBHDAZ-UHFFFAOYSA-N 0 3 408.571 3.906 40 0 HHABHN Cc1sc(NC(=O)CNCC(c2ccccc2)c2ccccc2)c(C(N)=O)c1C ZINC000004647968 560607986 /nfs/dbraw/zinc/60/79/86/560607986.db2.gz KDRORUNYIPYTME-UHFFFAOYSA-N 0 3 407.539 3.824 40 0 HHABHN O=C(NCCCN1CCCc2ccccc21)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000260512195 560750953 /nfs/dbraw/zinc/75/09/53/560750953.db2.gz VQEVNKWQVATGHU-QFIPXVFZSA-N 0 3 409.549 3.997 40 0 HHABHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000008253736 560753400 /nfs/dbraw/zinc/75/34/00/560753400.db2.gz DAACTBRMBBEPPZ-ZDUSSCGKSA-N 0 3 407.308 3.563 40 0 HHABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2c1C ZINC000012709763 560786266 /nfs/dbraw/zinc/78/62/66/560786266.db2.gz FQLZLLKMCJZKOZ-UHFFFAOYSA-N 0 3 414.619 3.716 40 0 HHABHN CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000019446043 560873124 /nfs/dbraw/zinc/87/31/24/560873124.db2.gz BJJOTOMTWWBPGZ-NRFANRHFSA-N 0 3 400.546 3.508 40 0 HHABHN COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1 ZINC000020139032 560881033 /nfs/dbraw/zinc/88/10/33/560881033.db2.gz ZHFOEYOMBYJGED-HSZRJFAPSA-N 0 3 424.593 3.837 40 0 HHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000005034845 568431522 /nfs/dbraw/zinc/43/15/22/568431522.db2.gz RAXYROGTNMRWJD-BDTNDASRSA-N 0 3 400.434 3.752 40 0 HHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000223278024 568543792 /nfs/dbraw/zinc/54/37/92/568543792.db2.gz NYOPEYKDNMTXLF-SFTDATJTSA-N 0 3 409.534 3.546 40 0 HHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)CCn3ccccc3=O)C2)n1 ZINC000257224535 568783370 /nfs/dbraw/zinc/78/33/70/568783370.db2.gz FCFCMMUICVZZEC-SFHVURJKSA-N 0 3 420.488 3.841 40 0 HHABHN Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@@H]3Cc2ccccc2)cn1 ZINC000257235649 568786396 /nfs/dbraw/zinc/78/63/96/568786396.db2.gz GYUAUDPDEVMCBM-ACUMWEPGSA-N 0 3 404.558 3.874 40 0 HHABHN COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)CN4CCCCCC4)C3)o2)c1 ZINC000257252387 568790929 /nfs/dbraw/zinc/79/09/29/568790929.db2.gz JUQPIXFOWLQNGF-HXUWFJFHSA-N 0 3 411.546 3.856 40 0 HHABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N4CCCC4)C3)c2)cc1 ZINC000257289595 568801249 /nfs/dbraw/zinc/80/12/49/568801249.db2.gz PZIPMXBCVAICKD-SFHVURJKSA-N 0 3 400.548 3.572 40 0 HHABHN O=C(CN1CCCCCC1)N1CCC[C@@]2(C[C@@H](Oc3ccc(F)c(Cl)c3)CO2)C1 ZINC000257289627 568801284 /nfs/dbraw/zinc/80/12/84/568801284.db2.gz PZMSPQSDHGUKHK-XMSQKQJNSA-N 0 3 424.944 3.884 40 0 HHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(S(=O)(=O)N3CCCCC3)C2)n1 ZINC000257289697 568801399 /nfs/dbraw/zinc/80/13/99/568801399.db2.gz PZVDSHXTYMVMEY-KRWDZBQOSA-N 0 3 418.538 3.793 40 0 HHABHN Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(CN3CCCCC3)cc2)[C@H]1O ZINC000257306945 568806573 /nfs/dbraw/zinc/80/65/73/568806573.db2.gz SWQZRWYVBFFUHX-WXFUMESZSA-N 0 3 424.589 3.794 40 0 HHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257307365 568806697 /nfs/dbraw/zinc/80/66/97/568806697.db2.gz SYHZEKWGDCATCU-KRWDZBQOSA-N 0 3 418.538 3.793 40 0 HHABHN CSCC[C@@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257317512 568809625 /nfs/dbraw/zinc/80/96/25/568809625.db2.gz VKAFAOXOFHXYFT-RMMBEPAUSA-N 0 3 418.603 3.541 40 0 HHABHN Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@@H]3Cc2ccccc2)n1 ZINC000257323600 568811502 /nfs/dbraw/zinc/81/15/02/568811502.db2.gz WLAQEGACPWBLQQ-ACUMWEPGSA-N 0 3 404.558 3.874 40 0 HHABHN Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@@H](N)CC(C)C)CC[C@@H]3O[C@H]21 ZINC000257330796 568813390 /nfs/dbraw/zinc/81/33/90/568813390.db2.gz XQBOYYVCTWKYRK-PZPBNIOOSA-N 0 3 400.563 3.834 40 0 HHABHN CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccnc2)CC1 ZINC000257343007 568816974 /nfs/dbraw/zinc/81/69/74/568816974.db2.gz ZRAVSJPRYJWXKP-UHFFFAOYSA-N 0 3 400.526 3.715 40 0 HHABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccccc3F)CC2)C1 ZINC000306127977 568890781 /nfs/dbraw/zinc/89/07/81/568890781.db2.gz GMTIYXPWSYIPCZ-UHFFFAOYSA-N 0 3 409.484 3.660 40 0 HHABHN CCc1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131552 568893916 /nfs/dbraw/zinc/89/39/16/568893916.db2.gz KIKDHYZLOYQPGL-OAQYLSRUSA-N 0 3 405.546 3.508 40 0 HHABHN Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306143361 568904928 /nfs/dbraw/zinc/90/49/28/568904928.db2.gz YAEMZNQHDNWWFF-HSZRJFAPSA-N 0 3 407.445 3.593 40 0 HHABHN CCOC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610874 568939758 /nfs/dbraw/zinc/93/97/58/568939758.db2.gz WQIRXLPCLCLVOB-CEXWTWQISA-N 0 3 414.354 3.915 40 0 HHABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242648545 568968779 /nfs/dbraw/zinc/96/87/79/568968779.db2.gz QZBLKSMVNIQJEB-KZNAEPCWSA-N 0 3 400.327 3.525 40 0 HHABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242701895 568970185 /nfs/dbraw/zinc/97/01/85/568970185.db2.gz WQIRXLPCLCLVOB-GUDVDZBRSA-N 0 3 414.354 3.915 40 0 HHABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 ZINC000019235128 569345336 /nfs/dbraw/zinc/34/53/36/569345336.db2.gz OWRKYZZCMGGWSI-UQBPGWFLSA-N 0 3 407.558 3.538 40 0 HHABHN CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(Cc2cc3cccc(OC)c3o2)C1 ZINC000019739137 569348700 /nfs/dbraw/zinc/34/87/00/569348700.db2.gz MUXLQQOMFKUYFN-QHCPKHFHSA-N 0 3 411.502 3.734 40 0 HHABHN CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(CO)o4)C2)C3)cc1 ZINC000020503447 575369601 /nfs/dbraw/zinc/36/96/01/575369601.db2.gz RPIWSYKIWATWMS-FUHWJXTLSA-N 0 3 422.550 3.942 40 0 biogenic,in-vitro HHABHN COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNCc4ccccc4)O3)no2)cc1 ZINC000077263312 291253755 /nfs/dbraw/zinc/25/37/55/291253755.db2.gz LEYIDIUEXDKCGN-WPFOTENUSA-N 0 3 408.498 3.591 40 0 biogenic,in-vitro HHABHN Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NC1CCCCC1 ZINC000008635339 291257926 /nfs/dbraw/zinc/25/79/26/291257926.db2.gz LRQZDOXBMAHDBC-NNWRFLSQSA-N 0 3 421.589 3.897 40 0 biogenic,in-vitro HHABHN Cc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3)cc2c1 ZINC000004231351 557530693 /nfs/dbraw/zinc/53/06/93/557530693.db2.gz BSIMIKVFPPTNEJ-UHFFFAOYSA-N 0 3 404.514 3.966 40 0 HHABHN C[C@@](Cc1ccc2c(c1)OCO2)(NCc1ccccc1)C(=O)NCc1ccccc1 ZINC000035467936 557576667 /nfs/dbraw/zinc/57/66/67/557576667.db2.gz PZMNBZVYCGDJGD-VWLOTQADSA-N 0 3 402.494 3.823 40 0 HHABHN COc1cccc(CN2CCC(c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)CC2)c1 ZINC000019739331 558260241 /nfs/dbraw/zinc/26/02/41/558260241.db2.gz OTTPZQUHIGMBRP-UHFFFAOYSA-N 0 3 420.557 3.862 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000011024094 558262129 /nfs/dbraw/zinc/26/21/29/558262129.db2.gz BBDZXTPMYXECLD-ZCNNSNEGSA-N 0 3 406.463 3.808 40 0 HHABHN COc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(C)ccc1O2 ZINC000012293239 558366180 /nfs/dbraw/zinc/36/61/80/558366180.db2.gz XDGAUBKGOQPUIK-DHIUTWEWSA-N 0 3 422.525 3.869 40 0 HHABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293684 558367039 /nfs/dbraw/zinc/36/70/39/558367039.db2.gz UWPPSFUFJORMIT-NHCUHLMSSA-N 0 3 401.478 3.609 40 0 HHABHN COc1ccc2[nH]c(C)c([C@H](O)CN3CCC4(CC3)C[C@H](O)c3ccccc3O4)c2c1 ZINC000012329195 558383723 /nfs/dbraw/zinc/38/37/23/558383723.db2.gz UBGJGDAUHGIRSY-FCHUYYIVSA-N 0 3 422.525 3.869 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)C[C@H]2O ZINC000012330159 558385122 /nfs/dbraw/zinc/38/51/22/558385122.db2.gz SIHJWSCPLWQSJJ-DHIUTWEWSA-N 0 3 409.526 3.568 40 0 HHABHN Cc1cccc(OCCN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 ZINC000012407930 558398940 /nfs/dbraw/zinc/39/89/40/558398940.db2.gz KWNKQFMPYLOJIT-ZWKOTPCHSA-N 0 3 409.456 3.665 40 0 HHABHN CN(C)CCN(Cc1cccnc1)Cc1ccccc1OCc1ccc2c(c1)OCO2 ZINC000022931645 558524448 /nfs/dbraw/zinc/52/44/48/558524448.db2.gz HXGQOVMHRUCHMF-UHFFFAOYSA-N 0 3 419.525 3.953 40 0 HHABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)CC1 ZINC000030939907 558745414 /nfs/dbraw/zinc/74/54/14/558745414.db2.gz OCPMBSFKHZRPCC-UHFFFAOYSA-N 0 3 421.541 3.643 40 0 HHABHN COc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(OC)c1OC ZINC000038754388 558814152 /nfs/dbraw/zinc/81/41/52/558814152.db2.gz BREFQDAQRBFVOS-UHFFFAOYSA-N 0 3 412.530 3.874 40 0 HHABHN O=C(Nc1ccccc1C(=O)N1CCCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038854746 558819209 /nfs/dbraw/zinc/81/92/09/558819209.db2.gz LNCOVDGXWCPWSM-IBGZPJMESA-N 0 3 409.505 3.912 40 0 HHABHN O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038854743 558819298 /nfs/dbraw/zinc/81/92/98/558819298.db2.gz LNCOVDGXWCPWSM-LJQANCHMSA-N 0 3 409.505 3.912 40 0 HHABHN COc1ccc(CN2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000019019593 558837584 /nfs/dbraw/zinc/83/75/84/558837584.db2.gz QUCPNANEXSEAES-NLFFAJNJSA-N 0 3 424.541 3.726 40 0 HHABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3ccsc3)C1)O2 ZINC000019019600 558837628 /nfs/dbraw/zinc/83/76/28/558837628.db2.gz UDXSLKIBBDLZKJ-XMSQKQJNSA-N 0 3 400.544 3.778 40 0 HHABHN CN(C(=O)c1cc(C2CC2)nn1C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019288808 558861582 /nfs/dbraw/zinc/86/15/82/558861582.db2.gz QNFWNYRFLOGYGQ-UHFFFAOYSA-N 0 3 408.546 3.575 40 0 HHABHN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(Cc3cccs3)C2)n1 ZINC000019290185 558862702 /nfs/dbraw/zinc/86/27/02/558862702.db2.gz ZOFPZJCOXIQNKC-KRWDZBQOSA-N 0 3 408.575 3.918 40 0 HHABHN O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000019370392 558878635 /nfs/dbraw/zinc/87/86/35/558878635.db2.gz IKGONPDUUWLZKG-RCZVLFRGSA-N 0 3 400.526 3.789 40 0 HHABHN O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)no1 ZINC000019376066 558882347 /nfs/dbraw/zinc/88/23/47/558882347.db2.gz ZUOMCPVSTIBDEL-LJQANCHMSA-N 0 3 420.513 3.511 40 0 HHABHN O=C(c1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 ZINC000019401851 558883765 /nfs/dbraw/zinc/88/37/65/558883765.db2.gz MCJGZHUFOCMKRJ-HJOGWXRNSA-N 0 3 416.500 3.746 40 0 HHABHN CC[C@@H]1CCCCN1CC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 ZINC000019500941 558898782 /nfs/dbraw/zinc/89/87/82/558898782.db2.gz QNIDJLJFXFDYKC-CEXWTWQISA-N 0 3 423.552 3.685 40 0 HHABHN CC[C@H]1CCCCN1CC(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](c2csnn2)C1 ZINC000019500960 558898791 /nfs/dbraw/zinc/89/87/91/558898791.db2.gz UOHNIWRUFCGOHJ-YSIASYRMSA-N 0 3 414.575 3.521 40 0 HHABHN COc1cc2c(cc1CN1CCC(O)(Cn3cnc4ccccc43)CC1)CCCC2 ZINC000019550546 558915234 /nfs/dbraw/zinc/91/52/34/558915234.db2.gz UQPHHRDZPVSPBK-UHFFFAOYSA-N 0 3 405.542 3.951 40 0 HHABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)C2CCCC2)cc1OC ZINC000019561445 558922213 /nfs/dbraw/zinc/92/22/13/558922213.db2.gz LSKDKCWEDUSRLF-YADHBBJMSA-N 0 3 408.542 3.978 40 0 HHABHN COc1ccc2[nH]c(CN3C[C@@H](c4ccccn4)[C@]4(C3)CCCCC(=O)N4)c(C)c2c1 ZINC000019565526 558925470 /nfs/dbraw/zinc/92/54/70/558925470.db2.gz WRCJIRCEFHMEGF-NBGIEHNGSA-N 0 3 418.541 3.908 40 0 HHABHN COCCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2[nH]c3ccccc3c2C)CC1 ZINC000019565886 558925838 /nfs/dbraw/zinc/92/58/38/558925838.db2.gz FYVSBSVGTKZJLM-VWLOTQADSA-N 0 3 420.557 3.977 40 0 HHABHN CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2cccnc2)C1 ZINC000019579603 558935320 /nfs/dbraw/zinc/93/53/20/558935320.db2.gz AMZCLKFWZXAOLH-DEOSSOPVSA-N 0 3 404.514 3.650 40 0 HHABHN CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccn2)C1 ZINC000019580434 558936115 /nfs/dbraw/zinc/93/61/15/558936115.db2.gz RXYAHQQTPSHEMA-VWLOTQADSA-N 0 3 400.526 3.667 40 0 HHABHN Cc1cc2nc(C3CCN(Cc4cc5ccccc5nc4N(C)C)CC3)cc(N)n2n1 ZINC000072337310 558937825 /nfs/dbraw/zinc/93/78/25/558937825.db2.gz NERYGQCONICIIQ-UHFFFAOYSA-N 0 3 415.545 3.614 40 0 HHABHN O=C(COc1ccc(F)cc1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355215 558952493 /nfs/dbraw/zinc/95/24/93/558952493.db2.gz JKDHCGQCRYSQIF-LJQANCHMSA-N 0 3 411.521 3.545 40 0 HHABHN CC(=O)n1cc(CN2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072361016 558955749 /nfs/dbraw/zinc/95/57/49/558955749.db2.gz VJAYFFIJKIDZRP-HNNXBMFYSA-N 0 3 418.522 4.000 40 0 HHABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4oc5ccc(C)cc5c4C)C[C@H]32)c(OC)n1 ZINC000072392639 558972401 /nfs/dbraw/zinc/97/24/01/558972401.db2.gz LOABCTMYMBZSNO-LSRZYVKLSA-N 0 3 423.513 3.586 40 0 HHABHN CCOc1ccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1OC ZINC000072395323 558974068 /nfs/dbraw/zinc/97/40/68/558974068.db2.gz MKJRYAUJEOTHNY-HNNXBMFYSA-N 0 3 417.460 3.849 40 0 HHABHN C[C@@H]1CCCN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)[C@H]1C ZINC000257261589 558995046 /nfs/dbraw/zinc/99/50/46/558995046.db2.gz LHZUQDZNUSSQCI-LVFSCSRESA-N 0 3 402.539 3.507 40 0 HHABHN O=C(N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@@H]21)c1ccncc1 ZINC000585109616 559029383 /nfs/dbraw/zinc/02/93/83/559029383.db2.gz FILWFROEYOBJLZ-KMDXXIMOSA-N 0 3 417.484 3.800 40 0 HHABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 ZINC000096215639 559101806 /nfs/dbraw/zinc/10/18/06/559101806.db2.gz IAEUGHRBBNBHNL-DEOSSOPVSA-N 0 3 408.498 3.552 40 0 HHABHN Cc1ccc(N2CCN(CC3CC3)C3(CCN(Cc4ccsc4)CC3)C2=O)cn1 ZINC000096230381 559102986 /nfs/dbraw/zinc/10/29/86/559102986.db2.gz NSCKNIZMATTYOZ-UHFFFAOYSA-N 0 3 410.587 3.545 40 0 HHABHN COc1cc(N2Cc3ccccc3C3(CCN(Cc4c(C)noc4C)CC3)C2)ncn1 ZINC000096242603 559104139 /nfs/dbraw/zinc/10/41/39/559104139.db2.gz PAPOZBVIUZHIRU-UHFFFAOYSA-N 0 3 419.529 3.644 40 0 HHABHN COc1cccc(CN[C@@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)c1 ZINC000100744453 559139519 /nfs/dbraw/zinc/13/95/19/559139519.db2.gz UOIXGXSQJGFBAW-HSZRJFAPSA-N 0 3 403.486 3.992 40 0 HHABHN CO[C@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCCc2ccccc2)CC1 ZINC000257249391 559284444 /nfs/dbraw/zinc/28/44/44/559284444.db2.gz JICHUYNSUNDKQO-RUZDIDTESA-N 0 3 410.558 3.604 40 0 HHABHN c1ccc(CCCN2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425285 560080296 /nfs/dbraw/zinc/08/02/96/560080296.db2.gz BBWFFELPWGZQIA-NRFANRHFSA-N 0 3 419.529 3.738 40 0 biogenic,in-vitro HHABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccccc3)cc12 ZINC000004133520 560600631 /nfs/dbraw/zinc/60/06/31/560600631.db2.gz CBWBVAQIOCDACW-UHFFFAOYSA-N 0 3 422.598 3.583 40 0 HHABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000004133551 560600634 /nfs/dbraw/zinc/60/06/34/560600634.db2.gz ZWRXSQNDSSFAIO-UHFFFAOYSA-N 0 3 422.598 3.583 40 0 HHABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccc(F)cc3)cc12 ZINC000004231249 560602992 /nfs/dbraw/zinc/60/29/92/560602992.db2.gz ZMWLCEXMYHZRLB-UHFFFAOYSA-N 0 3 410.493 3.880 40 0 HHABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)ccc1Cl ZINC000101319413 560728516 /nfs/dbraw/zinc/72/85/16/560728516.db2.gz HKXVMSYONLHLLP-KRWDZBQOSA-N 0 3 402.281 3.939 40 0 HHABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101319363 560728519 /nfs/dbraw/zinc/72/85/19/560728519.db2.gz YWEPKAIIHAQMJQ-SFHVURJKSA-N 0 3 402.281 3.939 40 0 HHABHN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000102727812 560731748 /nfs/dbraw/zinc/73/17/48/560731748.db2.gz DVRPZJPCGJGFTH-BHIFYINESA-N 0 3 418.424 3.885 40 0 HHABHN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000004301614 560895434 /nfs/dbraw/zinc/89/54/34/560895434.db2.gz ANGKSUGPKQOCDU-PSLXWICFSA-N 0 3 413.518 3.802 40 0 HHABHN CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000022928758 568500122 /nfs/dbraw/zinc/50/01/22/568500122.db2.gz WWXXBGUTZMNWRG-OAQYLSRUSA-N 0 3 414.573 3.997 40 0 HHABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(OC(F)(F)F)c1 ZINC000025224603 568517461 /nfs/dbraw/zinc/51/74/61/568517461.db2.gz BSLYNWJLSPJIAB-GOSISDBHSA-N 0 3 417.387 3.531 40 0 HHABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1Cc1ccncc1 ZINC000223487435 568550244 /nfs/dbraw/zinc/55/02/44/568550244.db2.gz NAKSDBNTCUZNMP-VXKWHMMOSA-N 0 3 412.522 3.835 40 0 HHABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2F)CCOCC1 ZINC000225571239 568652472 /nfs/dbraw/zinc/65/24/72/568652472.db2.gz IKHNOIIGZJVNFM-UHFFFAOYSA-N 0 3 412.505 3.987 40 0 HHABHN COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225743439 568670614 /nfs/dbraw/zinc/67/06/14/568670614.db2.gz ICAWPYLUBYYSKE-UHFFFAOYSA-N 0 3 417.962 3.861 40 0 HHABHN Cc1nc(C)c(CN2CCC3(CC[C@@H]4ON=C(C(=O)NC5CCCC5)[C@@H]43)CC2)s1 ZINC000247973437 568746323 /nfs/dbraw/zinc/74/63/23/568746323.db2.gz UAMJVBWHQVTPLZ-PKOBYXMFSA-N 0 3 416.591 3.566 40 0 HHABHN Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)n1 ZINC000257217576 568781208 /nfs/dbraw/zinc/78/12/08/568781208.db2.gz CZOFIEFBNGSLNT-OAQYLSRUSA-N 0 3 420.517 3.897 40 0 HHABHN CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccncc2)CC1 ZINC000257228054 568784391 /nfs/dbraw/zinc/78/43/91/568784391.db2.gz FSCHBQPJIWJNNM-UHFFFAOYSA-N 0 3 400.526 3.715 40 0 HHABHN COCCc1ncc(CN2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)cn1 ZINC000257245974 568789006 /nfs/dbraw/zinc/78/90/06/568789006.db2.gz IRYAAFGRTCZHEW-GOSISDBHSA-N 0 3 422.508 3.636 40 0 HHABHN CN1C(=O)C2(CCN(Cc3ccc4ncccc4c3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257302262 568805071 /nfs/dbraw/zinc/80/50/71/568805071.db2.gz SCEQUTZOCMIPLN-RPWUZVMVSA-N 0 3 415.537 3.781 40 0 HHABHN C[C@]1(O)CN(Cc2ccc(N3CCCC3=O)cc2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000257314265 568808640 /nfs/dbraw/zinc/80/86/40/568808640.db2.gz UWCOTLJZLWZLEG-GMAHTHKFSA-N 0 3 414.933 3.871 40 0 HHABHN CC(=O)N1CCN(C(=O)c2ccccc2CN2CCCCC2)C[C@H]1c1ccccc1 ZINC000257324637 568811876 /nfs/dbraw/zinc/81/18/76/568811876.db2.gz WPOOCXOIZKIJPP-DEOSSOPVSA-N 0 3 405.542 3.718 40 0 HHABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)n1 ZINC000019760692 568871175 /nfs/dbraw/zinc/87/11/75/568871175.db2.gz ZYRRSTKLCSQQPL-QFIPXVFZSA-N 0 3 415.541 3.906 40 0 HHABHN Cc1cc(C)cc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306126522 568889306 /nfs/dbraw/zinc/88/93/06/568889306.db2.gz DYHOOFSIIXGVKI-OAQYLSRUSA-N 0 3 405.546 3.562 40 0 HHABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccc3F)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306131375 568893669 /nfs/dbraw/zinc/89/36/69/568893669.db2.gz KCUFCLVHQPOPAK-RDPSFJRHSA-N 0 3 410.537 3.831 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccc(C)c4)C[C@H]32)cc1 ZINC000306135518 568897413 /nfs/dbraw/zinc/89/74/13/568897413.db2.gz OTWKLBWLBVLVFO-BJKOFHAPSA-N 0 3 401.510 3.887 40 0 HHABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000306136969 568898839 /nfs/dbraw/zinc/89/88/39/568898839.db2.gz QHWVDXOBTWJOJL-UHFFFAOYSA-N 0 3 409.484 3.660 40 0 HHABHN Cc1cnc(C(=O)N[C@H]2CCCC[C@]23CN(C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139181 568900830 /nfs/dbraw/zinc/90/08/30/568900830.db2.gz SRMVJUOZJKXZBS-NHTRMHBPSA-N 0 3 412.578 3.521 40 0 HHABHN CCN(CC)CCCN(C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575423372 569026477 /nfs/dbraw/zinc/02/64/77/569026477.db2.gz ZZITVRNQCLOVMO-HSZRJFAPSA-N 0 3 414.615 3.997 40 0 HHABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252514471 569387935 /nfs/dbraw/zinc/38/79/35/569387935.db2.gz COKOVRNILPZULJ-GUDVDZBRSA-N 0 3 414.354 3.915 40 0 HHABHN Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 ZINC000008636256 1072486717 /nfs/dbraw/zinc/48/67/17/1072486717.db2.gz OTPHLWFMKFMCKD-UHOSZYNNSA-N 0 3 421.570 3.845 40 0 biogenic,in-vitro HHABHN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)CN3CCCC3)cc(C(F)(F)F)c21 ZINC000019742360 558262745 /nfs/dbraw/zinc/26/27/45/558262745.db2.gz KLHCQUKOTBGNKF-HNNXBMFYSA-N 0 3 424.471 3.556 40 0 HHABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccccc1Cl ZINC000019819154 558289338 /nfs/dbraw/zinc/28/93/38/558289338.db2.gz MEKNAFOAPWDGKT-HNNXBMFYSA-N 0 3 416.836 3.918 40 0 HHABHN COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(Cc1cccnc1)CC3)c1cccn1-2 ZINC000012086185 558321652 /nfs/dbraw/zinc/32/16/52/558321652.db2.gz NEICZSMYELBTSD-RUZDIDTESA-N 0 3 416.525 3.957 40 0 HHABHN Nc1nc(-c2cccs2)c(CC(=O)N2CCCC[C@H]2CN2CCCCC2)s1 ZINC000012238242 558359213 /nfs/dbraw/zinc/35/92/13/558359213.db2.gz BNHHYXUKWWYNND-HNNXBMFYSA-N 0 3 404.605 3.863 40 0 HHABHN COCCOc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC ZINC000012293197 558366243 /nfs/dbraw/zinc/36/62/43/558366243.db2.gz DBLRQEXYIDMYQY-QRQCMCJISA-N 0 3 415.505 3.874 40 0 HHABHN COc1nc(-c2ccccc2)nc(C)c1CC(=O)N(CCN(C)C)C1CCCCC1 ZINC000012363349 558387508 /nfs/dbraw/zinc/38/75/08/558387508.db2.gz NNSQDZZBXDMRGS-UHFFFAOYSA-N 0 3 410.562 3.726 40 0 HHABHN COCCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)n2c3ccccc3nc21 ZINC000039963983 558823027 /nfs/dbraw/zinc/82/30/27/558823027.db2.gz QSAWSIGDBGNXBI-SFHVURJKSA-N 0 3 412.877 3.643 40 0 HHABHN Cc1ccc([C@H](C)CCN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1 ZINC000019216301 558850318 /nfs/dbraw/zinc/85/03/18/558850318.db2.gz OIJCEHIRLKTVNK-JPYJTQIMSA-N 0 3 408.546 3.719 40 0 HHABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccn1 ZINC000019400649 558883433 /nfs/dbraw/zinc/88/34/33/558883433.db2.gz DAAOFDQYLIZYNN-WMZHIEFXSA-N 0 3 404.489 3.999 40 0 HHABHN COc1ccc2[nH]c(CN3CCC(O)(Cn4cnc5ccccc54)CC3)c(C)c2c1 ZINC000019565449 558925417 /nfs/dbraw/zinc/92/54/17/558925417.db2.gz KBDPRPMQWOHCID-UHFFFAOYSA-N 0 3 404.514 3.862 40 0 HHABHN COc1ccc(OC)c(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)c1 ZINC000019590860 558940878 /nfs/dbraw/zinc/94/08/78/558940878.db2.gz YSYJWQRVEMRDGC-UHFFFAOYSA-N 0 3 424.541 3.982 40 0 HHABHN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2CC(=O)Nc2ccccc2F)n1 ZINC000072372501 558959959 /nfs/dbraw/zinc/95/99/59/558959959.db2.gz ZBMUONQNLFJGCR-HXUWFJFHSA-N 0 3 406.465 3.838 40 0 HHABHN O=C(CN1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCCC1 ZINC000072374494 558962204 /nfs/dbraw/zinc/96/22/04/558962204.db2.gz IOOHUEWHNXJWMJ-OAQYLSRUSA-N 0 3 418.545 3.719 40 0 HHABHN Cc1c(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019694083 558962372 /nfs/dbraw/zinc/96/23/72/558962372.db2.gz UHAMWWCZQGUENH-GOSISDBHSA-N 0 3 408.525 3.770 40 0 HHABHN CN1CCC(N(Cc2cnc(N3CCOCC3)s2)Cc2ccccc2Cl)CC1 ZINC000019715698 558977136 /nfs/dbraw/zinc/97/71/36/558977136.db2.gz ORNTWHHTUYAGMR-UHFFFAOYSA-N 0 3 421.010 3.730 40 0 HHABHN CN(C)c1ccc(C(=O)N2CCC[C@@]3(CCN3C[C@@H]3CCCO3)C2)c2ccccc21 ZINC000585101948 559025156 /nfs/dbraw/zinc/02/51/56/559025156.db2.gz NBHQEGVWMSRCNP-UQBPGWFLSA-N 0 3 407.558 3.765 40 0 HHABHN O=C(NC1CC2(C1)CCN(Cc1ccc(OCC(F)F)cc1)CC2)OCCF ZINC000585102753 559026322 /nfs/dbraw/zinc/02/63/22/559026322.db2.gz DBRFVCLWHOVVEJ-UHFFFAOYSA-N 0 3 400.441 3.771 40 0 HHABHN Cc1cc(C(=O)N2Cc3ccccc3C3(CCN(Cc4cccc(C)n4)CC3)C2)no1 ZINC000096242611 559104214 /nfs/dbraw/zinc/10/42/14/559104214.db2.gz YKOGUGCSTYBMRU-UHFFFAOYSA-N 0 3 416.525 3.876 40 0 HHABHN CNCC(=O)N1CCC(c2cc(Nc3ncc(-c4ccccc4)s3)nc(C)n2)CC1 ZINC000585263159 559111880 /nfs/dbraw/zinc/11/18/80/559111880.db2.gz PGIBJKBIOYUUBV-UHFFFAOYSA-N 0 3 422.558 3.578 40 0 HHABHN CCCC[C@@H](N)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263322 559111996 /nfs/dbraw/zinc/11/19/96/559111996.db2.gz BXFSCVHZGHJOHT-MRXNPFEDSA-N 0 3 402.568 3.517 40 0 HHABHN CO[C@H]1CN(Cc2ccc(OCCn3ccnc3C)cc2)C[C@@H]1Oc1cccc(C)c1 ZINC000585268751 559113678 /nfs/dbraw/zinc/11/36/78/559113678.db2.gz CCXNWVBFZWCLPH-DQEYMECFSA-N 0 3 421.541 3.857 40 0 HHABHN O[C@@]1(COc2ccccc2)CCCN(Cc2ccc(OCCCn3cccn3)cc2)C1 ZINC000585273698 559118316 /nfs/dbraw/zinc/11/83/16/559118316.db2.gz QKGYBCGCLYKRQT-VWLOTQADSA-N 0 3 421.541 3.758 40 0 HHABHN NC(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257283052 559285339 /nfs/dbraw/zinc/28/53/39/559285339.db2.gz OWOVCPGJLULNDQ-VWLOTQADSA-N 0 3 419.500 3.819 40 0 HHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100722333 560850756 /nfs/dbraw/zinc/85/07/56/560850756.db2.gz AJAPTWKTHVPRHV-BHIFYINESA-N 0 3 418.424 3.885 40 0 HHABHN c1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929083 568501286 /nfs/dbraw/zinc/50/12/86/568501286.db2.gz LCMIHKBQIHOPMQ-DEOSSOPVSA-N 0 3 416.573 3.761 40 0 HHABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(Cl)c1Cl ZINC000025224540 568517503 /nfs/dbraw/zinc/51/75/03/568517503.db2.gz QITJGRQBALNHMF-MRXNPFEDSA-N 0 3 402.281 3.939 40 0 HHABHN COc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c(OC)c1 ZINC000225772221 568673319 /nfs/dbraw/zinc/67/33/19/568673319.db2.gz IMPPSVPYMONNDQ-UHFFFAOYSA-N 0 3 415.559 3.663 40 0 HHABHN COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000260845562 568742058 /nfs/dbraw/zinc/74/20/58/568742058.db2.gz TYBAQKQSSABVHX-WMZOPIPTSA-N 0 3 400.494 3.932 40 0 HHABHN Nc1nc2c(c(N)n1)C[C@]1(CCCN(Cc3cccc(Oc4ccccc4)c3)CC1)O2 ZINC000257219383 568781866 /nfs/dbraw/zinc/78/18/66/568781866.db2.gz DGOWCOKLDXQEQJ-XMMPIXPASA-N 0 3 417.513 3.793 40 0 HHABHN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(OCCO)c4)[C@@H]3C[C@H]21 ZINC000257279533 568798368 /nfs/dbraw/zinc/79/83/68/568798368.db2.gz OHCGZUVXROFDOK-KOVSNXQUSA-N 0 3 409.526 3.949 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccc(C)s4)C[C@@H]32)cc1 ZINC000306130896 568893374 /nfs/dbraw/zinc/89/33/74/568893374.db2.gz JSFIJIDXVJLRLT-VXKWHMMOSA-N 0 3 407.539 3.948 40 0 HHABHN CN(C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329006342 568972138 /nfs/dbraw/zinc/97/21/38/568972138.db2.gz LDJMSJRIPIIXAC-UHFFFAOYSA-N 0 3 417.435 3.603 40 0 HHABHN CC(C)c1nc(NCCN(C)C)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329004808 568972239 /nfs/dbraw/zinc/97/22/39/568972239.db2.gz KTZCETLHEQFUOG-UHFFFAOYSA-N 0 3 418.383 3.899 40 0 HHABHN Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329005246 568972244 /nfs/dbraw/zinc/97/22/44/568972244.db2.gz KXGLRVDZSQGHII-QGZVFWFLSA-N 0 3 410.440 3.675 40 0 HHABHN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000019701981 569347370 /nfs/dbraw/zinc/34/73/70/569347370.db2.gz UDINNFVWQNPDBC-INIZCTEOSA-N 0 3 413.518 3.801 40 0 HHABHN CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(CCOc2ccc(F)cc2)C1 ZINC000019695998 569428595 /nfs/dbraw/zinc/42/85/95/569428595.db2.gz NWTOHWSGRNQTCM-XMMPIXPASA-N 0 3 423.488 3.540 40 0 HHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccn2)n1 ZINC000328990362 571304738 /nfs/dbraw/zinc/30/47/38/571304738.db2.gz IOHOOMKAULBYLH-UHFFFAOYSA-N 0 3 402.424 4.275 40 0 HHABHN COc1cc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc(OC)c1OC ZINC000044917667 522434172 /nfs/dbraw/zinc/43/41/72/522434172.db2.gz JOEACAMNOXIPDW-UHFFFAOYSA-N 0 3 412.530 3.874 40 0 HHABHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857015 522530802 /nfs/dbraw/zinc/53/08/02/522530802.db2.gz BTXLTPVAEQWEIK-QFIPXVFZSA-N 0 3 414.571 3.957 40 0 HHABHN CCCN1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 ZINC000019741243 558261827 /nfs/dbraw/zinc/26/18/27/558261827.db2.gz JSJMTGSQJPGDHB-LJQANCHMSA-N 0 3 408.546 3.862 40 0 HHABHN Cc1nc([C@H]2CCN(C3CCOCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753170 558272252 /nfs/dbraw/zinc/27/22/52/558272252.db2.gz ZLNNJQQCWMSVBA-HNNXBMFYSA-N 0 3 400.910 3.659 40 0 HHABHN CCc1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C(C)=C1C(=O)OC ZINC000019819172 558289334 /nfs/dbraw/zinc/28/93/34/558289334.db2.gz FRIVEGWZYRHWBS-SFHVURJKSA-N 0 3 410.445 3.827 40 0 HHABHN C[C@@H]1CCCN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)[C@@H]1C ZINC000012182850 558343591 /nfs/dbraw/zinc/34/35/91/558343591.db2.gz LHZUQDZNUSSQCI-VVWQDTPRSA-N 0 3 402.539 3.507 40 0 HHABHN COc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(C)ccc1O2 ZINC000012293241 558366235 /nfs/dbraw/zinc/36/62/35/558366235.db2.gz XDGAUBKGOQPUIK-GOTSBHOMSA-N 0 3 422.525 3.869 40 0 HHABHN Cn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)c2ccccc21 ZINC000012329142 558383664 /nfs/dbraw/zinc/38/36/64/558383664.db2.gz QOLZAFMGBZCIHW-YADHBBJMSA-N 0 3 410.489 3.702 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c[nH]c4cc(C)ccc43)CC1)C[C@@H]2O ZINC000012329699 558384637 /nfs/dbraw/zinc/38/46/37/558384637.db2.gz NBQFGPXMSLARDR-XZOQPEGZSA-N 0 3 422.525 3.869 40 0 HHABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c1 ZINC000012330053 558384875 /nfs/dbraw/zinc/38/48/75/558384875.db2.gz DYLPIXXLTYEVHB-UXHICEINSA-N 0 3 403.906 3.733 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000020634812 558395621 /nfs/dbraw/zinc/39/56/21/558395621.db2.gz WZQLYZRBEFTECI-KRWDZBQOSA-N 0 3 408.454 3.524 40 0 HHABHN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039756073 558687749 /nfs/dbraw/zinc/68/77/49/558687749.db2.gz LSMMPDANAKWCTR-UHFFFAOYSA-N 0 3 423.557 3.612 40 0 HHABHN Cc1ccc([C@@H](C)CCN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)o1 ZINC000019216294 558850281 /nfs/dbraw/zinc/85/02/81/558850281.db2.gz OIJCEHIRLKTVNK-FDDCHVKYSA-N 0 3 408.546 3.719 40 0 HHABHN COc1ccc(OC)c(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000019285532 558859848 /nfs/dbraw/zinc/85/98/48/558859848.db2.gz VQWFZRJZHYUFRY-VQTJNVASSA-N 0 3 423.488 3.618 40 0 HHABHN COc1ccc(OC)c(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000019285532 558859850 /nfs/dbraw/zinc/85/98/50/558859850.db2.gz VQWFZRJZHYUFRY-VQTJNVASSA-N 0 3 423.488 3.618 40 0 HHABHN COc1ccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285501 558859888 /nfs/dbraw/zinc/85/98/88/558859888.db2.gz NZVIAALPZIALGV-RBUKOAKNSA-N 0 3 411.452 3.748 40 0 HHABHN COc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285501 558859889 /nfs/dbraw/zinc/85/98/89/558859889.db2.gz NZVIAALPZIALGV-RBUKOAKNSA-N 0 3 411.452 3.748 40 0 HHABHN COc1ccc(CN(Cc2ccccn2)C[C@H]2CCCO2)cc1Cn1ccnc1C ZINC000019288189 558861143 /nfs/dbraw/zinc/86/11/43/558861143.db2.gz UPXNOZDPOOIRNP-HSZRJFAPSA-N 0 3 406.530 3.825 40 0 HHABHN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000019290174 558862749 /nfs/dbraw/zinc/86/27/49/558862749.db2.gz WOWMNDKWOMSTID-IBGZPJMESA-N 0 3 420.536 3.996 40 0 HHABHN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(Cc1cccn1C)CC3)c1cccn1-2 ZINC000019291127 558863403 /nfs/dbraw/zinc/86/34/03/558863403.db2.gz XQDIGEGRBXJKTA-VWLOTQADSA-N 0 3 418.541 3.900 40 0 HHABHN COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(Cc1cccn1C)CC3)c1cccn1-2 ZINC000019291129 558863471 /nfs/dbraw/zinc/86/34/71/558863471.db2.gz XQDIGEGRBXJKTA-RUZDIDTESA-N 0 3 418.541 3.900 40 0 HHABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccn1 ZINC000019400647 558883320 /nfs/dbraw/zinc/88/33/20/558883320.db2.gz DAAOFDQYLIZYNN-AUSIDOKSSA-N 0 3 404.489 3.999 40 0 HHABHN CCn1cc([C@@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 ZINC000019524755 558906099 /nfs/dbraw/zinc/90/60/99/558906099.db2.gz LCQWZTHGHLLXDL-DEOSSOPVSA-N 0 3 418.541 3.571 40 0 HHABHN C=Cn1cc(CN2CCC(c3cc4nc(N(CC)CC)ncc4c(=O)[nH]3)CC2)c(C)n1 ZINC000019526559 558907893 /nfs/dbraw/zinc/90/78/93/558907893.db2.gz QWSXDUNPBQXDJE-UHFFFAOYSA-N 0 3 421.549 3.562 40 0 HHABHN CCOc1cc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532005 558912115 /nfs/dbraw/zinc/91/21/15/558912115.db2.gz CGZLSGUBCUINND-LJQANCHMSA-N 0 3 420.513 3.619 40 0 HHABHN Cc1c(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cnn1Cc1ccccc1 ZINC000019554544 558917529 /nfs/dbraw/zinc/91/75/29/558917529.db2.gz IWIRBVAMZGUVLE-GGAORHGYSA-N 0 3 410.468 3.628 40 0 HHABHN COc1cccc(CNC(=O)c2cc([C@H]3CCCN(Cc4ccccc4)C3)no2)c1 ZINC000019565619 558925542 /nfs/dbraw/zinc/92/55/42/558925542.db2.gz BSAWCETZVIQJCR-FQEVSTJZSA-N 0 3 405.498 3.993 40 0 HHABHN COCCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2[nH]c3ccccc3c2C)CC1 ZINC000019565889 558925868 /nfs/dbraw/zinc/92/58/68/558925868.db2.gz FYVSBSVGTKZJLM-RUZDIDTESA-N 0 3 420.557 3.977 40 0 HHABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000072330558 558934890 /nfs/dbraw/zinc/93/48/90/558934890.db2.gz RTJVJMQQJWTSBM-RDPSFJRHSA-N 0 3 423.557 3.968 40 0 HHABHN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccccn2)C1 ZINC000019591327 558941698 /nfs/dbraw/zinc/94/16/98/558941698.db2.gz PSIMKAZXKCTVEU-VWLOTQADSA-N 0 3 400.526 3.715 40 0 HHABHN CNc1ncccc1CN1CCC[C@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1 ZINC000072346226 558943081 /nfs/dbraw/zinc/94/30/81/558943081.db2.gz BJMGYICUKMKQMB-KRWDZBQOSA-N 0 3 404.518 3.551 40 0 HHABHN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2CC(=O)N(C)C2CCCCC2)n1 ZINC000072372491 558959903 /nfs/dbraw/zinc/95/99/03/558959903.db2.gz VXRVAPHPEGSZFY-OAQYLSRUSA-N 0 3 408.550 3.852 40 0 HHABHN Cc1nn(C)cc1CN1CCC(c2nc(N(C)C)ncc2-c2ccccc2F)CC1 ZINC000019695152 558963709 /nfs/dbraw/zinc/96/37/09/558963709.db2.gz YKJXTBVHHQJQSJ-UHFFFAOYSA-N 0 3 408.525 3.770 40 0 HHABHN COc1ccc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(N)nc3)CC2)cc1 ZINC000019695256 558963939 /nfs/dbraw/zinc/96/39/39/558963939.db2.gz WIQSFRDUUJWADJ-UHFFFAOYSA-N 0 3 418.545 3.575 40 0 HHABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2 ZINC000019707421 558969753 /nfs/dbraw/zinc/96/97/53/558969753.db2.gz HNQCSZHWFPEVQP-OAQYLSRUSA-N 0 3 407.562 3.823 40 0 HHABHN COc1ccc(-c2ncc(CN3C[C@@H]4CC[C@@](O)(c5ccc(C)cn5)[C@@H]4C3)cn2)cc1 ZINC000072392568 558972116 /nfs/dbraw/zinc/97/21/16/558972116.db2.gz XOQVJCGJNVPMHI-HOKHCIIBSA-N 0 3 416.525 3.585 40 0 HHABHN COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398632 558976195 /nfs/dbraw/zinc/97/61/95/558976195.db2.gz AUUQDGNDGZBZLJ-RDPSFJRHSA-N 0 3 416.525 3.869 40 0 HHABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccn1 ZINC000072398630 558976348 /nfs/dbraw/zinc/97/63/48/558976348.db2.gz DAAOFDQYLIZYNN-XXBNENTESA-N 0 3 404.489 3.999 40 0 HHABHN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099820 559024558 /nfs/dbraw/zinc/02/45/58/559024558.db2.gz CWGVABKPIOYAMF-OAQYLSRUSA-N 0 3 402.564 3.912 40 0 HHABHN COc1ccc(F)c(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4cc(C)on4)[C@H]3C2)c1 ZINC000585109778 559029420 /nfs/dbraw/zinc/02/94/20/559029420.db2.gz STAMOXFLSVUUMC-SXWKCWPCSA-N 0 3 421.472 3.831 40 0 HHABHN Cc1ccc2cc(C(=O)N3CCC[C@](O)(CN4CCC(F)(F)CC4)CC3)[nH]c2c1 ZINC000585183663 559070463 /nfs/dbraw/zinc/07/04/63/559070463.db2.gz MLABUESXMGJUKT-OAQYLSRUSA-N 0 3 405.489 3.565 40 0 HHABHN CCCc1cnc(Nc2cc(CC)nc(C3CCN(C(=O)C(C)(C)N)CC3)n2)s1 ZINC000585263340 559112022 /nfs/dbraw/zinc/11/20/22/559112022.db2.gz WDEPEBVNJNZDJA-UHFFFAOYSA-N 0 3 416.595 3.635 40 0 HHABHN Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCN(C(=O)[C@@H](C)N)CC2)n1 ZINC000585263289 559112047 /nfs/dbraw/zinc/11/20/47/559112047.db2.gz VAGLSZBPRRAPKF-CQSZACIVSA-N 0 3 422.558 3.705 40 0 HHABHN Cc1cc(OC[C@@]2(O)COCCN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287334 559121980 /nfs/dbraw/zinc/12/19/80/559121980.db2.gz MSFKBYQEZUCRIS-IEXUWNMDSA-N 0 3 423.569 3.544 40 0 HHABHN COc1ccccc1[C@@H]1CNCCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257291656 559285799 /nfs/dbraw/zinc/28/57/99/559285799.db2.gz QIAMPRFUQGTJNF-QHCPKHFHSA-N 0 3 415.537 3.547 40 0 HHABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000880580 560539669 /nfs/dbraw/zinc/53/96/69/560539669.db2.gz JRBJTBLOYNOOAG-UHFFFAOYSA-N 0 3 424.570 3.606 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)c1 ZINC000100634973 560850780 /nfs/dbraw/zinc/85/07/80/560850780.db2.gz CXQYYROFFWGQCQ-AABGKKOBSA-N 0 3 406.463 3.808 40 0 HHABHN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222600707 568520131 /nfs/dbraw/zinc/52/01/31/568520131.db2.gz VZXTWXCBYREUJJ-IBGZPJMESA-N 0 3 408.477 3.746 40 0 HHABHN CC(C)(C)OC(=O)N1CCN(c2cccc(NCc3cccc(F)c3)c2CN)CC1 ZINC000095096596 568595669 /nfs/dbraw/zinc/59/56/69/568595669.db2.gz WYAVLADTXWCUJF-UHFFFAOYSA-N 0 3 414.525 3.954 40 0 HHABHN COc1cc2c(cc1S(=O)(=O)NCc1ccccc1CN1CCCC1)CCCC2 ZINC000224803768 568597602 /nfs/dbraw/zinc/59/76/02/568597602.db2.gz OCOAKVHGYZZCSQ-UHFFFAOYSA-N 0 3 414.571 3.648 40 0 HHABHN COc1cc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc(OC)c1OC ZINC000225230145 568624758 /nfs/dbraw/zinc/62/47/58/568624758.db2.gz QDCIJYRWJVOEPC-UHFFFAOYSA-N 0 3 421.588 3.725 40 0 HHABHN O=C1CCCN1c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225744133 568670417 /nfs/dbraw/zinc/67/04/17/568670417.db2.gz WMJDEYNDDRYTIW-UHFFFAOYSA-N 0 3 408.571 3.548 40 0 HHABHN COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000225881672 568683118 /nfs/dbraw/zinc/68/31/18/568683118.db2.gz VVTLSIYCDAHCAY-MRXNPFEDSA-N 0 3 400.494 3.932 40 0 HHABHN COc1ccc([C@H]2CN(Cc3c(OC)cccc3OC)[C@@H]3CCOC[C@@H]32)c(OC)c1 ZINC000257232973 568785487 /nfs/dbraw/zinc/78/54/87/568785487.db2.gz GNDXBXVVCJZLBT-HMXCVIKNSA-N 0 3 413.514 3.726 40 0 HHABHN CN1CCC(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)CC1 ZINC000257253138 568791236 /nfs/dbraw/zinc/79/12/36/568791236.db2.gz JXSGLQFTGYHVCL-RBBKRZOGSA-N 0 3 412.574 3.886 40 0 HHABHN CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257266682 568794675 /nfs/dbraw/zinc/79/46/75/568794675.db2.gz MEAUMMZFQDYKAJ-INIZCTEOSA-N 0 3 406.527 3.649 40 0 HHABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccccc4F)CC2)CN(C)C3)cc1 ZINC000306126931 568889832 /nfs/dbraw/zinc/88/98/32/568889832.db2.gz FJJJDTBWWJEXFY-UHFFFAOYSA-N 0 3 421.520 3.530 40 0 HHABHN Cc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306128337 568891129 /nfs/dbraw/zinc/89/11/29/568891129.db2.gz GXOXYEBFXGKTGK-XMMPIXPASA-N 0 3 403.482 3.762 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccc(C)s4)C[C@H]32)cc1 ZINC000306130894 568893449 /nfs/dbraw/zinc/89/34/49/568893449.db2.gz JSFIJIDXVJLRLT-FCHUYYIVSA-N 0 3 407.539 3.948 40 0 HHABHN CCc1ccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131551 568893882 /nfs/dbraw/zinc/89/38/82/568893882.db2.gz KIKDHYZLOYQPGL-NRFANRHFSA-N 0 3 405.546 3.508 40 0 HHABHN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000019701979 569347325 /nfs/dbraw/zinc/34/73/25/569347325.db2.gz UDINNFVWQNPDBC-MRXNPFEDSA-N 0 3 413.518 3.801 40 0 HHABHN COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2cccnc2N(C)C)cc1 ZINC000019713843 569348460 /nfs/dbraw/zinc/34/84/60/569348460.db2.gz BCEXDEIJHVGICX-PKTZIBPZSA-N 0 3 422.573 3.702 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1 ZINC000020798523 132471066 /nfs/dbraw/zinc/47/10/66/132471066.db2.gz WTPDWHNDSRUHMO-LJQANCHMSA-N 0 3 408.454 3.524 40 0 HHABHN CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857016 522784120 /nfs/dbraw/zinc/78/41/20/522784120.db2.gz BTXLTPVAEQWEIK-JOCHJYFZSA-N 0 3 414.571 3.957 40 0 HHABHN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N(C)C3CCN(C)CC3)c12 ZINC000036616718 526296438 /nfs/dbraw/zinc/29/64/38/526296438.db2.gz AKVDESXQTCBBSE-UHFFFAOYSA-N 0 3 417.557 3.832 40 0 HHABHN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010691453 558259797 /nfs/dbraw/zinc/25/97/97/558259797.db2.gz BYNVQVYLZJZPJX-OAQYLSRUSA-N 0 3 421.541 3.834 40 0 HHABHN CC(C)Nc1[nH]nc2nc([C@H]3CCCN3C(=O)CN3CCCC3)cc(C(F)(F)F)c21 ZINC000019742362 558262670 /nfs/dbraw/zinc/26/26/70/558262670.db2.gz KLHCQUKOTBGNKF-OAHLLOKOSA-N 0 3 424.471 3.556 40 0 HHABHN O=C(NCCCn1cccn1)c1ccc([C@H]2CCCN(Cc3ccccc3F)C2)nc1 ZINC000019752771 558272061 /nfs/dbraw/zinc/27/20/61/558272061.db2.gz JGCUXDUDUCJWKQ-NRFANRHFSA-N 0 3 421.520 3.617 40 0 HHABHN Cn1cc(C(N)=O)c(CC2CCN(Cc3ccc(-c4cccc(F)c4)cc3)CC2)n1 ZINC000019756715 558274511 /nfs/dbraw/zinc/27/45/11/558274511.db2.gz CXNCQFFNFMRDEK-UHFFFAOYSA-N 0 3 406.505 3.780 40 0 HHABHN CCOc1ccc(CN2CCC(Cc3cc(N4CCCC4)nc(C)n3)CC2)cc1CO ZINC000019758810 558275292 /nfs/dbraw/zinc/27/52/92/558275292.db2.gz BDBXUGUZSMUPJF-UHFFFAOYSA-N 0 3 424.589 3.731 40 0 HHABHN Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000012329201 558384033 /nfs/dbraw/zinc/38/40/33/558384033.db2.gz SFQVDQSCFWJEJT-NHCUHLMSSA-N 0 3 410.489 4.000 40 0 HHABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012329537 558384362 /nfs/dbraw/zinc/38/43/62/558384362.db2.gz ITQPRZQOEJCCPQ-GOTSBHOMSA-N 0 3 405.494 3.930 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)C[C@@H]2O ZINC000012329750 558384509 /nfs/dbraw/zinc/38/45/09/558384509.db2.gz YQEYMLMMDKTXRW-PMACEKPBSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)C[C@H]2O ZINC000012329755 558384533 /nfs/dbraw/zinc/38/45/33/558384533.db2.gz YQEYMLMMDKTXRW-UXHICEINSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012329916 558384848 /nfs/dbraw/zinc/38/48/48/558384848.db2.gz TYEDVSCINYRXPT-WOJBJXKFSA-N 0 3 403.906 3.733 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1 ZINC000020798520 558414883 /nfs/dbraw/zinc/41/48/83/558414883.db2.gz WTPDWHNDSRUHMO-IBGZPJMESA-N 0 3 408.454 3.524 40 0 HHABHN O=c1[nH]c2c(cc1CNC[C@@H]1CCCO1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000026440837 558660964 /nfs/dbraw/zinc/66/09/64/558660964.db2.gz ICTSORLSKSUDPJ-FQEVSTJZSA-N 0 3 418.472 3.789 40 0 HHABHN COc1ccc(CNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c(OC)c1OC ZINC000039765591 558685772 /nfs/dbraw/zinc/68/57/72/558685772.db2.gz ZRFKMXQCSUTPCF-UHFFFAOYSA-N 0 3 412.530 3.549 40 0 HHABHN COc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(C)cc3)CC2)CC1 ZINC000039772621 558686390 /nfs/dbraw/zinc/68/63/90/558686390.db2.gz ZEWREAXJTCBQHL-UHFFFAOYSA-N 0 3 407.558 3.564 40 0 HHABHN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000039755662 558687594 /nfs/dbraw/zinc/68/75/94/558687594.db2.gz JVRMCDDZIHBFMK-QGZVFWFLSA-N 0 3 400.494 3.630 40 0 HHABHN CC[C@@H]1c2ccsc2CCN1Cc1cn(CC(=O)NCCOC)c2ccccc12 ZINC000036741528 558802321 /nfs/dbraw/zinc/80/23/21/558802321.db2.gz LTOWTZPNJVKTBO-HXUWFJFHSA-N 0 3 411.571 3.975 40 0 HHABHN Cc1nc(N2CCOCC2)sc1CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036752902 558802977 /nfs/dbraw/zinc/80/29/77/558802977.db2.gz FBQPBSHKLNGLOW-QGZVFWFLSA-N 0 3 411.575 3.619 40 0 HHABHN O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850734 558818813 /nfs/dbraw/zinc/81/88/13/558818813.db2.gz BYOHFUHOVJXHFQ-QFIPXVFZSA-N 0 3 411.977 3.896 40 0 HHABHN COc1ccc(C)cc1CN1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000019133409 558845790 /nfs/dbraw/zinc/84/57/90/558845790.db2.gz FZRPREJZOLOCOH-QILLFSRXSA-N 0 3 409.456 3.795 40 0 HHABHN CC(C)c1ccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019453210 558890812 /nfs/dbraw/zinc/89/08/12/558890812.db2.gz IHKVNTKNFMHYSH-HXUWFJFHSA-N 0 3 411.546 3.775 40 0 HHABHN CCCn1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c2cc(OC)ccc21 ZINC000019526073 558907529 /nfs/dbraw/zinc/90/75/29/558907529.db2.gz WJBIHLGYLFWOHT-WPUZRXDDSA-N 0 3 422.573 3.913 40 0 HHABHN CCOCc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OC ZINC000019531137 558911776 /nfs/dbraw/zinc/91/17/76/558911776.db2.gz KIEOIMZMHGENPL-GOSISDBHSA-N 0 3 409.534 3.545 40 0 HHABHN CCOc1cc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)ccc1OC ZINC000019531958 558912049 /nfs/dbraw/zinc/91/20/49/558912049.db2.gz RJCCUZDTZHGAEX-IXDOHACOSA-N 0 3 421.492 3.588 40 0 HHABHN COc1ccc(CC(=O)N2C[C@@H]3CCCCN(Cc4ccccc4)[C@@H]3C2)cc1OC ZINC000019560560 558921494 /nfs/dbraw/zinc/92/14/94/558921494.db2.gz TVMMBYGHFFFYAG-FCHUYYIVSA-N 0 3 408.542 3.759 40 0 HHABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](C(C)C)C2 ZINC000019566139 558925966 /nfs/dbraw/zinc/92/59/66/558925966.db2.gz JWLJACTWYDNKSJ-IBGZPJMESA-N 0 3 420.513 3.981 40 0 HHABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](C(C)C)C2 ZINC000019566139 558925969 /nfs/dbraw/zinc/92/59/69/558925969.db2.gz JWLJACTWYDNKSJ-IBGZPJMESA-N 0 3 420.513 3.981 40 0 HHABHN COc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019570256 558929104 /nfs/dbraw/zinc/92/91/04/558929104.db2.gz PTBDGPUDWKZEIR-LJQANCHMSA-N 0 3 418.545 3.855 40 0 HHABHN CN(C)Cc1ccccc1CNC(=O)c1cc(C2CCOCC2)c2cnccc2n1 ZINC000019583604 558938030 /nfs/dbraw/zinc/93/80/30/558938030.db2.gz QRBXJIGFHKJPCJ-UHFFFAOYSA-N 0 3 404.514 3.515 40 0 HHABHN Cc1oc2ccccc2c1CN1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000072338937 558938422 /nfs/dbraw/zinc/93/84/22/558938422.db2.gz BEQRARMBQOPTNR-QFIPXVFZSA-N 0 3 411.527 3.683 40 0 HHABHN COc1cccc(-c2cccc(C[C@H]3CN(Cc4ccncc4)CCN(C)C3=O)c2)c1 ZINC000019589530 558940379 /nfs/dbraw/zinc/94/03/79/558940379.db2.gz VRZJUFUYLDPRTC-DEOSSOPVSA-N 0 3 415.537 3.890 40 0 HHABHN NC(=O)c1cccc(-c2c[nH]nc2[C@@H]2CCCN(CCOCc3ccccc3)C2)c1 ZINC000072356459 558953337 /nfs/dbraw/zinc/95/33/37/558953337.db2.gz FSUKTRNXLUASOG-OAQYLSRUSA-N 0 3 404.514 3.572 40 0 HHABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000072398558 558975938 /nfs/dbraw/zinc/97/59/38/558975938.db2.gz QUDIYISPMHIWQV-AVRDEDQJSA-N 0 3 409.530 3.578 40 0 HHABHN COc1ccccc1CN1CCC([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1 ZINC000072398545 558976047 /nfs/dbraw/zinc/97/60/47/558976047.db2.gz FALWFUXFEZDXQG-XMMPIXPASA-N 0 3 416.525 3.869 40 0 HHABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096056079 559093831 /nfs/dbraw/zinc/09/38/31/559093831.db2.gz LVEZXCKLGMKDIA-RDPSFJRHSA-N 0 3 411.546 3.569 40 0 HHABHN O=S1(=O)c2ccccc2O[C@H]2CCN(CC3CC3)CC[C@@H]2N1Cc1ccccc1 ZINC000096145860 559097689 /nfs/dbraw/zinc/09/76/89/559097689.db2.gz XEYHBYWDCIWWAH-SFTDATJTSA-N 0 3 412.555 3.513 40 0 HHABHN Cc1cc2cc(CN(CCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1C ZINC000004133562 560600612 /nfs/dbraw/zinc/60/06/12/560600612.db2.gz BAYUMLFYYICTFE-UHFFFAOYSA-N 0 3 422.598 3.583 40 0 HHABHN CCC[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000102724246 560731589 /nfs/dbraw/zinc/73/15/89/560731589.db2.gz QHTHISMPQZWDSL-RCCFBDPRSA-N 0 3 415.287 3.928 40 0 HHABHN COc1cccc(-c2noc(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)n2)c1 ZINC000219235730 568488208 /nfs/dbraw/zinc/48/82/08/568488208.db2.gz NZYDHPWLSIZJIG-UHFFFAOYSA-N 0 3 420.513 3.907 40 0 HHABHN COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(C)c4)CC3)n2)c1 ZINC000219406935 568491426 /nfs/dbraw/zinc/49/14/26/568491426.db2.gz KXYFUCVZIPNMQK-UHFFFAOYSA-N 0 3 420.513 3.582 40 0 HHABHN CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000022928754 568500173 /nfs/dbraw/zinc/50/01/73/568500173.db2.gz WWXXBGUTZMNWRG-NRFANRHFSA-N 0 3 414.573 3.997 40 0 HHABHN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223260219 568542947 /nfs/dbraw/zinc/54/29/47/568542947.db2.gz VZDXQFVJEKVPQP-FGZHOGPDSA-N 0 3 405.571 3.715 40 0 HHABHN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223260374 568543060 /nfs/dbraw/zinc/54/30/60/568543060.db2.gz VZDXQFVJEKVPQP-VXKWHMMOSA-N 0 3 405.571 3.715 40 0 HHABHN CCNC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225487871 568642323 /nfs/dbraw/zinc/64/23/23/568642323.db2.gz MILUGQRBQZSNFV-UHFFFAOYSA-N 0 3 414.553 3.930 40 0 HHABHN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225695906 568665331 /nfs/dbraw/zinc/66/53/31/568665331.db2.gz ZTJABCVKLRSNRQ-OAQYLSRUSA-N 0 3 410.533 3.902 40 0 HHABHN COc1cccc(OC)c1CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225903815 568684839 /nfs/dbraw/zinc/68/48/39/568684839.db2.gz PWJNIKHYOYMALU-KRWDZBQOSA-N 0 3 402.922 3.886 40 0 HHABHN O=C(c1c[nH]nc1[C@@H]1CCCN(Cc2ccnc3ccccc23)C1)N1CCCCC1 ZINC000257204128 568777379 /nfs/dbraw/zinc/77/73/79/568777379.db2.gz ATDHUBCHSHJSIP-LJQANCHMSA-N 0 3 403.530 3.964 40 0 HHABHN COc1cc(C)c(CN2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257227652 568784332 /nfs/dbraw/zinc/78/43/32/568784332.db2.gz FQHDJBAURLRWLV-FQEVSTJZSA-N 0 3 424.589 3.775 40 0 HHABHN CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257261900 568793315 /nfs/dbraw/zinc/79/33/15/568793315.db2.gz LJFVKUHDSAJNAO-SFHVURJKSA-N 0 3 402.564 3.818 40 0 HHABHN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cnn(C)c4)CC3)CO[C@H]21 ZINC000257281699 568799005 /nfs/dbraw/zinc/79/90/05/568799005.db2.gz OQONQEKDAGIYKM-PZJWPPBQSA-N 0 3 411.546 3.960 40 0 HHABHN CCN1CCC[C@@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257318458 568809790 /nfs/dbraw/zinc/80/97/90/568809790.db2.gz VOAQNJKSPWEANG-HSZRJFAPSA-N 0 3 407.558 3.688 40 0 HHABHN CCN1CCC[C@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257318459 568809870 /nfs/dbraw/zinc/80/98/70/568809870.db2.gz VOAQNJKSPWEANG-QHCPKHFHSA-N 0 3 407.558 3.688 40 0 HHABHN O=C(NCCN1CCCCC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257319428 568810197 /nfs/dbraw/zinc/81/01/97/568810197.db2.gz VSMAVIGWSYAPAJ-UHFFFAOYSA-N 0 3 407.558 3.690 40 0 HHABHN CC(C)n1ccc(-c2nc(C(=O)N3CCN(c4ccncc4)CC3)c3ccccn32)c1 ZINC000306125056 568887913 /nfs/dbraw/zinc/88/79/13/568887913.db2.gz CFXAYJMMYCQGDZ-UHFFFAOYSA-N 0 3 414.513 3.741 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4sccc4C)C[C@H]32)cc1 ZINC000306126311 568889140 /nfs/dbraw/zinc/88/91/40/568889140.db2.gz DSHYZWBZAJXILH-LEWJYISDSA-N 0 3 407.539 3.948 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4sccc4C)C[C@@H]32)cc1 ZINC000306126314 568889184 /nfs/dbraw/zinc/88/91/84/568889184.db2.gz DSHYZWBZAJXILH-SFTDATJTSA-N 0 3 407.539 3.948 40 0 HHABHN CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242701896 568970066 /nfs/dbraw/zinc/97/00/66/568970066.db2.gz WQIRXLPCLCLVOB-IPMKNSEASA-N 0 3 414.354 3.915 40 0 HHABHN CN(C)CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)n1 ZINC000328965630 568970057 /nfs/dbraw/zinc/97/00/57/568970057.db2.gz CEPMECVWPHFYFI-UHFFFAOYSA-N 0 3 421.467 3.789 40 0 HHABHN CN(C)CCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328989011 568971652 /nfs/dbraw/zinc/97/16/52/568971652.db2.gz IHSHKLLHMIAHBJ-UHFFFAOYSA-N 0 3 401.436 3.723 40 0 HHABHN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000009063172 569342385 /nfs/dbraw/zinc/34/23/85/569342385.db2.gz UEPZHPKIQHGEJB-UHFFFAOYSA-N 0 3 423.557 3.612 40 0 HHABHN O=C(NCCN1CCCCC1)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211521421 569356034 /nfs/dbraw/zinc/35/60/34/569356034.db2.gz OMUGZPQTSMRGJQ-HAVVHWLPSA-N 0 3 416.525 3.541 40 0 HHABHN CC(C)C[C@@H]1N[C@H](C(=O)NCCOc2ccccc2)Cc2cn(C)c3cccc1c23 ZINC000049171465 291248101 /nfs/dbraw/zinc/24/81/01/291248101.db2.gz IPZLHXBDSNAMCZ-VXKWHMMOSA-N 0 3 405.542 3.975 40 0 biogenic,in-vitro HHABHN CN(C)c1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNCc3ccco3)n(C)n2)cc1 ZINC000039560667 291250456 /nfs/dbraw/zinc/25/04/56/291250456.db2.gz PDDVHUXFXUSXHA-WPYKKVEZSA-N 0 3 419.573 3.714 40 0 biogenic,in-vitro HHABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCC(OCc4ccccc4)CC3)ccc21 ZINC000012326554 132358787 /nfs/dbraw/zinc/35/87/87/132358787.db2.gz DXKIBLRJRKEHCN-RUZDIDTESA-N 0 3 408.542 3.700 40 0 HHABHN CCN(CC)CCOC(=O)[C@H](C)Oc1c2ccoc2c(OC)c2oc(C)cc(=O)c12 ZINC000006382265 557700769 /nfs/dbraw/zinc/70/07/69/557700769.db2.gz MUZUSXFFAUEEQN-AWEZNQCLSA-N 0 3 417.458 3.509 40 0 HHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3Cl)cc2)CC1 ZINC000006517672 557706080 /nfs/dbraw/zinc/70/60/80/557706080.db2.gz VRKQQBHMNOWSDC-UHFFFAOYSA-N 0 3 416.978 3.917 40 0 HHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000006517669 557706135 /nfs/dbraw/zinc/70/61/35/557706135.db2.gz VFVDWXRKSXDXKZ-UHFFFAOYSA-N 0 3 402.951 3.609 40 0 HHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000006517663 557706249 /nfs/dbraw/zinc/70/62/49/557706249.db2.gz OMRDXUVHVXAHDO-UHFFFAOYSA-N 0 3 416.978 3.538 40 0 HHABHN Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3ccccn3)CC2)on1 ZINC000012232374 558358255 /nfs/dbraw/zinc/35/82/55/558358255.db2.gz NXFBVTZLIQKBKV-UHFFFAOYSA-N 0 3 404.518 3.815 40 0 HHABHN CC(C)NC(=O)Cn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012240482 558360198 /nfs/dbraw/zinc/36/01/98/558360198.db2.gz KUCPNKMZBXRQAJ-UHFFFAOYSA-N 0 3 423.532 3.789 40 0 HHABHN CCOCc1cc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)ccc1OC ZINC000012292829 558365876 /nfs/dbraw/zinc/36/58/76/558365876.db2.gz OIBOJVIFMKDEND-UHFFFAOYSA-N 0 3 414.521 3.998 40 0 HHABHN COc1ccc2c(CN3CCC(NC(C)=O)(c4ccccc4F)CC3)cn(C)c2c1 ZINC000012293051 558366029 /nfs/dbraw/zinc/36/60/29/558366029.db2.gz RLRHHVJGEYPQBM-UHFFFAOYSA-N 0 3 409.505 3.953 40 0 HHABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293774 558367432 /nfs/dbraw/zinc/36/74/32/558367432.db2.gz QYBWBLLAOIVVBN-YADHBBJMSA-N 0 3 424.541 3.728 40 0 HHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329762 558384617 /nfs/dbraw/zinc/38/46/17/558384617.db2.gz GFKMZNTXUDFXMH-UXHICEINSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330266 558385172 /nfs/dbraw/zinc/38/51/72/558385172.db2.gz FBDGYPQGWAGPQE-ZEQRLZLVSA-N 0 3 423.553 3.958 40 0 HHABHN Cc1ccc([C@@H](CNC(=O)Cn2c(=O)oc3ccc(Cl)cc32)N2CCCC2)cc1 ZINC000035317046 558789954 /nfs/dbraw/zinc/78/99/54/558789954.db2.gz GAECZJSMNIOTLY-LJQANCHMSA-N 0 3 413.905 3.510 40 0 HHABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3ccsc3)C1)O2 ZINC000019019606 558837616 /nfs/dbraw/zinc/83/76/16/558837616.db2.gz UDXSLKIBBDLZKJ-PGRDOPGGSA-N 0 3 400.544 3.778 40 0 HHABHN Cc1cc(C)n(-c2cccc(CN3C[C@@H](c4cccnc4)[C@]4(C3)CCCC(=O)N4)c2)n1 ZINC000019116431 558841858 /nfs/dbraw/zinc/84/18/58/558841858.db2.gz OCKUEFSBZRTFMM-UKILVPOCSA-N 0 3 415.541 3.522 40 0 HHABHN Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@@H]2CCCN(CCc3ccccn3)C2)C1 ZINC000019237334 558856413 /nfs/dbraw/zinc/85/64/13/558856413.db2.gz KVWQKKCKLKMUGY-XZOQPEGZSA-N 0 3 421.585 3.962 40 0 HHABHN COc1cccc(C(=O)N2CCCC[C@H]3CN(Cc4ccncc4C)C[C@H]32)c1OC ZINC000019239535 558858171 /nfs/dbraw/zinc/85/81/71/558858171.db2.gz PCRMLWXPUPSIKB-PZJWPPBQSA-N 0 3 409.530 3.534 40 0 HHABHN Fc1ccccc1OCCCN1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019368115 558877036 /nfs/dbraw/zinc/87/70/36/558877036.db2.gz FCGYDNVOBCSPHS-BHYGNILZSA-N 0 3 409.456 3.589 40 0 HHABHN O=C(N[C@H]1CCCOC1)c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)no1 ZINC000019376067 558882322 /nfs/dbraw/zinc/88/23/22/558882322.db2.gz ZUOMCPVSTIBDEL-IBGZPJMESA-N 0 3 420.513 3.511 40 0 HHABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000057225268 558887798 /nfs/dbraw/zinc/88/77/98/558887798.db2.gz KKLIGYMGIBIXLI-UHFFFAOYSA-N 0 3 402.922 3.967 40 0 HHABHN CCc1ncc(CN2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523311 558904383 /nfs/dbraw/zinc/90/43/83/558904383.db2.gz ZUZMBIBPYHHQTR-RUZDIDTESA-N 0 3 400.526 3.626 40 0 HHABHN COc1cc2c(cc1CN1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)CCC2 ZINC000019550616 558915133 /nfs/dbraw/zinc/91/51/33/558915133.db2.gz MJOUHCWUPGMEKJ-SQJMNOBHSA-N 0 3 405.542 3.607 40 0 HHABHN O=C(Nc1nnc(-c2ccccc2F)s1)C1CCN(CCc2ccccn2)CC1 ZINC000019661191 558952390 /nfs/dbraw/zinc/95/23/90/558952390.db2.gz ADJNYDRPGUBBCY-UHFFFAOYSA-N 0 3 411.506 3.632 40 0 HHABHN O=C(c1sc2ccccc2c1[C@@H]1CCN(Cc2ccccn2)C1)N1CCOCC1 ZINC000072356025 558952752 /nfs/dbraw/zinc/95/27/52/558952752.db2.gz QYDYLWVZIIXXLQ-QGZVFWFLSA-N 0 3 407.539 3.758 40 0 HHABHN COCCN1CC=CC[C@H](C2CCN(Cc3ccccc3OCC(C)C)CC2)C1=O ZINC000072371086 558957716 /nfs/dbraw/zinc/95/77/16/558957716.db2.gz FDSJPFWEEDPCKP-HSZRJFAPSA-N 0 3 414.590 3.985 40 0 HHABHN Cn1cc(CN2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371568 558958673 /nfs/dbraw/zinc/95/86/73/558958673.db2.gz AUJRKLGIPWTYEA-MRXNPFEDSA-N 0 3 419.451 3.773 40 0 HHABHN Cn1cc(CN2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371568 558958675 /nfs/dbraw/zinc/95/86/75/558958675.db2.gz AUJRKLGIPWTYEA-MRXNPFEDSA-N 0 3 419.451 3.773 40 0 HHABHN Cc1cccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)c1 ZINC000019689673 558959174 /nfs/dbraw/zinc/95/91/74/558959174.db2.gz YHOAWKREGYUTJJ-JOCHJYFZSA-N 0 3 415.541 3.954 40 0 HHABHN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2CC(=O)Nc2ccccc2F)n1 ZINC000072372500 558959927 /nfs/dbraw/zinc/95/99/27/558959927.db2.gz ZBMUONQNLFJGCR-FQEVSTJZSA-N 0 3 406.465 3.838 40 0 HHABHN CN1CCC(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(Cl)c2)CC1 ZINC000072377286 558966691 /nfs/dbraw/zinc/96/66/91/558966691.db2.gz KVONCHYDPIBOAE-IBGZPJMESA-N 0 3 413.953 3.775 40 0 HHABHN CCC[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000096786943 558976036 /nfs/dbraw/zinc/97/60/36/558976036.db2.gz QHTHISMPQZWDSL-BZSNNMDCSA-N 0 3 415.287 3.928 40 0 HHABHN CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCN(C)C)CC1 ZINC000257259462 558995487 /nfs/dbraw/zinc/99/54/87/558995487.db2.gz KYNDQRJSCOYUJO-QAQDUYKDSA-N 0 3 401.576 3.603 40 0 HHABHN COc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccc(C)o3)CC2)cc1 ZINC000096037075 559090962 /nfs/dbraw/zinc/09/09/62/559090962.db2.gz CDOOCVROQGGHQQ-UHFFFAOYSA-N 0 3 406.530 3.897 40 0 HHABHN COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCN(C)C)cc43)cs2)cc1 ZINC000096037889 559091651 /nfs/dbraw/zinc/09/16/51/559091651.db2.gz JBGZQRYHAZKQJX-UHFFFAOYSA-N 0 3 422.510 3.918 40 0 HHABHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000096061354 559094072 /nfs/dbraw/zinc/09/40/72/559094072.db2.gz SUNSOFCKUXHCLR-QHCPKHFHSA-N 0 3 408.542 3.692 40 0 HHABHN COc1ccc(-c2nc(C3CCN(Cc4cnn(C)c4)CC3)cc3c2ncn3C)cc1 ZINC000096099979 559095295 /nfs/dbraw/zinc/09/52/95/559095295.db2.gz XEBOPTXSBLFRJS-UHFFFAOYSA-N 0 3 416.529 3.757 40 0 HHABHN COc1cccc(CC(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3)c1 ZINC000096215651 559101914 /nfs/dbraw/zinc/10/19/14/559101914.db2.gz SUSOXKBMULWELJ-RUZDIDTESA-N 0 3 408.542 3.761 40 0 HHABHN Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2cnc(C)cn2)Cc2ccccc23)o1 ZINC000096242593 559104155 /nfs/dbraw/zinc/10/41/55/559104155.db2.gz AZOOFDXZLPWGFH-UHFFFAOYSA-N 0 3 416.525 3.876 40 0 HHABHN COc1cc(N2Cc3ccccc3C3(CCN(Cc4cccc(C)n4)CC3)C2)ncn1 ZINC000096242609 559104245 /nfs/dbraw/zinc/10/42/45/559104245.db2.gz PGKXUJSZGBTOGP-UHFFFAOYSA-N 0 3 415.541 3.743 40 0 HHABHN O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096245510 559105045 /nfs/dbraw/zinc/10/50/45/559105045.db2.gz PDXXZHKPHCAMDN-OALUTQOASA-N 0 3 403.448 3.623 40 0 HHABHN COc1ccc(NC(=O)c2ccc3ccc(N4CCN(CC5CC5)CC4)n3c2)cc1 ZINC000096267360 559108047 /nfs/dbraw/zinc/10/80/47/559108047.db2.gz UDXRWTKFGWLEBC-UHFFFAOYSA-N 0 3 404.514 3.732 40 0 HHABHN CC(=O)N1CCN([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2ccccc2)C1 ZINC000585287302 559121049 /nfs/dbraw/zinc/12/10/49/559121049.db2.gz MIFZVESWBCLIAE-HFMPRLQTSA-N 0 3 402.579 3.566 40 0 HHABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3F)cc12 ZINC000004231252 560602971 /nfs/dbraw/zinc/60/29/71/560602971.db2.gz PDQKRQURTGTOGX-UHFFFAOYSA-N 0 3 410.493 3.880 40 0 HHABHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000008253737 560753406 /nfs/dbraw/zinc/75/34/06/560753406.db2.gz DAACTBRMBBEPPZ-CYBMUJFWSA-N 0 3 407.308 3.563 40 0 HHABHN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(C2CCCCC2)CC1 ZINC000020140104 560881301 /nfs/dbraw/zinc/88/13/01/560881301.db2.gz LIXOOWRARNKVII-OAQYLSRUSA-N 0 3 414.573 3.997 40 0 HHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000223278189 568543748 /nfs/dbraw/zinc/54/37/48/568543748.db2.gz NYOPEYKDNMTXLF-NHCUHLMSSA-N 0 3 409.534 3.546 40 0 HHABHN COc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000224852889 568600484 /nfs/dbraw/zinc/60/04/84/568600484.db2.gz XFQXKIBPQCSLEA-UHFFFAOYSA-N 0 3 402.560 3.776 40 0 HHABHN Nc1nc2c(c(N)n1)C[C@@]1(CCCN(Cc3cccc(Oc4ccccc4)c3)CC1)O2 ZINC000257219382 568781801 /nfs/dbraw/zinc/78/18/01/568781801.db2.gz DGOWCOKLDXQEQJ-DEOSSOPVSA-N 0 3 417.513 3.793 40 0 HHABHN CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(Cc4cccnc4)C3)ccc2c1N ZINC000257234695 568786098 /nfs/dbraw/zinc/78/60/98/568786098.db2.gz GUSPZEZXXLHDFK-JOCHJYFZSA-N 0 3 409.559 3.529 40 0 HHABHN CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257266683 568794622 /nfs/dbraw/zinc/79/46/22/568794622.db2.gz MEAUMMZFQDYKAJ-MRXNPFEDSA-N 0 3 406.527 3.649 40 0 HHABHN O=C(CC1CC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306125903 568888657 /nfs/dbraw/zinc/88/86/57/568888657.db2.gz DFHFTGYOLHEUPS-UHFFFAOYSA-N 0 3 420.557 3.656 40 0 HHABHN Fc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306129221 568891845 /nfs/dbraw/zinc/89/18/45/568891845.db2.gz HXUPPDKZTIXUNO-HSZRJFAPSA-N 0 3 407.445 3.593 40 0 HHABHN Cc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306130878 568893480 /nfs/dbraw/zinc/89/34/80/568893480.db2.gz JRTDMISHIWPRKC-XMMPIXPASA-N 0 3 403.482 3.762 40 0 HHABHN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306131326 568893596 /nfs/dbraw/zinc/89/35/96/568893596.db2.gz KCAHHJJLPOIXNZ-LADGPHEKSA-N 0 3 419.550 3.540 40 0 HHABHN CN1CC2(CCN(Cc3cccs3)CC2)c2nc(-c3ccccc3)ncc2C1=O ZINC000306134677 568896770 /nfs/dbraw/zinc/89/67/70/568896770.db2.gz NVEVDTRVZLNONI-UHFFFAOYSA-N 0 3 404.539 3.825 40 0 HHABHN COC[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218589452 568938425 /nfs/dbraw/zinc/93/84/25/568938425.db2.gz QZBLKSMVNIQJEB-BZSNNMDCSA-N 0 3 400.327 3.525 40 0 HHABHN CN(C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)n1 ZINC000329068001 568975544 /nfs/dbraw/zinc/97/55/44/568975544.db2.gz YLVGUMZVECGCQP-UHFFFAOYSA-N 0 3 417.435 3.603 40 0 HHABHN Cc1c(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)sc2[nH]cnc(=O)c12 ZINC000257198915 569058979 /nfs/dbraw/zinc/05/89/79/569058979.db2.gz LPPMVEHGZWXTBA-MJQMVNBJSA-N 0 3 424.570 3.741 40 0 HHABHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010332469 569343875 /nfs/dbraw/zinc/34/38/75/569343875.db2.gz YIUPKGLHCDFUOK-UHFFFAOYSA-N 0 3 412.486 3.729 40 0 HHABHN COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(CC(C)(C)C)C3)nc2C)c1 ZINC000019763428 569348872 /nfs/dbraw/zinc/34/88/72/569348872.db2.gz LVJMJOWVIONDIU-IBGZPJMESA-N 0 3 410.562 3.949 40 0 HHABHN COc1ccc2c(CN3CC[C@@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072352523 525501192 /nfs/dbraw/zinc/50/11/92/525501192.db2.gz OKROAHJTYJEVHL-CQSZACIVSA-N 0 3 420.538 3.885 40 0 HHABHN CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccc(OC)cc3)oc12 ZINC000001582681 557274146 /nfs/dbraw/zinc/27/41/46/557274146.db2.gz LZAONEACRHDLOA-UHFFFAOYSA-N 0 3 409.482 3.896 40 0 HHABHN O=C(CCCN1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O)c1ccc(F)cc1 ZINC000001664529 557279268 /nfs/dbraw/zinc/27/92/68/557279268.db2.gz JDSYEHKPXVPYNY-UHFFFAOYSA-N 0 3 410.445 3.807 40 0 HHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000006517675 557706173 /nfs/dbraw/zinc/70/61/73/557706173.db2.gz MHEVFJFLQPZMCL-UHFFFAOYSA-N 0 3 402.951 3.609 40 0 HHABHN COc1cc(CNCCO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008470187 557791697 /nfs/dbraw/zinc/79/16/97/557791697.db2.gz GFULBSSDAKYDQN-UHFFFAOYSA-N 0 3 400.700 3.772 40 0 HHABHN Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000019754952 558274012 /nfs/dbraw/zinc/27/40/12/558274012.db2.gz LPKLMDCNENILBJ-UHFFFAOYSA-N 0 3 413.522 3.723 40 0 HHABHN CCc1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C(C)=C1C(=O)OC ZINC000019819170 558289304 /nfs/dbraw/zinc/28/93/04/558289304.db2.gz FRIVEGWZYRHWBS-GOSISDBHSA-N 0 3 410.445 3.827 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3cc(C)sc3C)CC1)C[C@@H]2O ZINC000012241587 558360296 /nfs/dbraw/zinc/36/02/96/558360296.db2.gz PFTZKXRLFBVXKN-VQTJNVASSA-N 0 3 403.544 3.758 40 0 HHABHN COc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(C)ccc1O2 ZINC000012293236 558366186 /nfs/dbraw/zinc/36/61/86/558366186.db2.gz XDGAUBKGOQPUIK-PKTZIBPZSA-N 0 3 422.525 3.869 40 0 HHABHN CCn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c2ccccc21 ZINC000012293280 558366478 /nfs/dbraw/zinc/36/64/78/558366478.db2.gz JFUABABIVMGFJS-PKTZIBPZSA-N 0 3 422.525 3.751 40 0 HHABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293783 558367324 /nfs/dbraw/zinc/36/73/24/558367324.db2.gz QYBWBLLAOIVVBN-FCHUYYIVSA-N 0 3 424.541 3.728 40 0 HHABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329386 558384055 /nfs/dbraw/zinc/38/40/55/558384055.db2.gz BTORJSRZHAVUOV-DHIUTWEWSA-N 0 3 424.541 3.646 40 0 HHABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012329541 558384236 /nfs/dbraw/zinc/38/42/36/558384236.db2.gz ITQPRZQOEJCCPQ-XZOQPEGZSA-N 0 3 405.494 3.930 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)C[C@@H]2O ZINC000012330245 558385221 /nfs/dbraw/zinc/38/52/21/558385221.db2.gz OVCVEWHEMTXRCE-BJKOFHAPSA-N 0 3 423.553 3.958 40 0 HHABHN Cc1ccc(OCCN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000012407928 558398935 /nfs/dbraw/zinc/39/89/35/558398935.db2.gz ICWLDPAIFHMMCG-ZWKOTPCHSA-N 0 3 409.456 3.665 40 0 HHABHN Cc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929566 558523389 /nfs/dbraw/zinc/52/33/89/558523389.db2.gz ZISRTCUIUXHOOU-QHCPKHFHSA-N 0 3 420.561 3.663 40 0 HHABHN Cc1ccc([C@H](C)CCN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)o1 ZINC000019216297 558850314 /nfs/dbraw/zinc/85/03/14/558850314.db2.gz OIJCEHIRLKTVNK-WZONZLPQSA-N 0 3 408.546 3.719 40 0 HHABHN Cc1nccn1CC1(O)CCN(Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000019287977 558861236 /nfs/dbraw/zinc/86/12/36/558861236.db2.gz ADPQIKWDHRLIQY-UHFFFAOYSA-N 0 3 409.505 3.937 40 0 HHABHN O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000019370389 558878566 /nfs/dbraw/zinc/87/85/66/558878566.db2.gz IKGONPDUUWLZKG-RDGATRHJSA-N 0 3 400.526 3.789 40 0 HHABHN CC(C)c1ccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019453212 558890734 /nfs/dbraw/zinc/89/07/34/558890734.db2.gz IHKVNTKNFMHYSH-FQEVSTJZSA-N 0 3 411.546 3.775 40 0 HHABHN COc1ccc(OC(C)(C)C(=O)Nc2nnc(CCN3CCC(C)CC3)s2)cc1 ZINC000019496917 558895689 /nfs/dbraw/zinc/89/56/89/558895689.db2.gz QHHFEKDSPJEIRF-UHFFFAOYSA-N 0 3 418.563 3.617 40 0 HHABHN CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)c2N1 ZINC000019520888 558902224 /nfs/dbraw/zinc/90/22/24/558902224.db2.gz UAHZEJQIMRAUAJ-JQHSSLGASA-N 0 3 423.483 3.922 40 0 HHABHN CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccnc2)C1 ZINC000019529173 558910775 /nfs/dbraw/zinc/91/07/75/558910775.db2.gz PRKNGJUCDIYREH-VWLOTQADSA-N 0 3 400.526 3.715 40 0 HHABHN CCOCc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OC ZINC000019531139 558911656 /nfs/dbraw/zinc/91/16/56/558911656.db2.gz KIEOIMZMHGENPL-SFHVURJKSA-N 0 3 409.534 3.545 40 0 HHABHN CCOc1cc(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532007 558912063 /nfs/dbraw/zinc/91/20/63/558912063.db2.gz CGZLSGUBCUINND-IBGZPJMESA-N 0 3 420.513 3.619 40 0 HHABHN CCOc1cc(CN2CCC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532003 558912275 /nfs/dbraw/zinc/91/22/75/558912275.db2.gz JWOGARHTJPRIHV-SFHVURJKSA-N 0 3 420.513 3.619 40 0 HHABHN C[C@@H](CN1CCN(c2c(F)cccc2[C@@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000072340569 558939340 /nfs/dbraw/zinc/93/93/40/558939340.db2.gz LYYGHRWBSCRPAV-FDDCHVKYSA-N 0 3 408.521 3.567 40 0 HHABHN CNc1cc([C@@H]2CCCN(Cc3cccc(OC)c3OC)C2)nc(-c2ccncc2)n1 ZINC000019592278 558943264 /nfs/dbraw/zinc/94/32/64/558943264.db2.gz BYLBGHDOOKRQDY-GOSISDBHSA-N 0 3 419.529 3.977 40 0 HHABHN Cc1cc(NCCNC(=O)C2(c3cccc(F)c3)CCOCC2)c2ccccc2n1 ZINC000019655037 558948432 /nfs/dbraw/zinc/94/84/32/558948432.db2.gz DEHQNQVEWQCJDM-UHFFFAOYSA-N 0 3 407.489 3.959 40 0 HHABHN COc1ccc2c(CN3CC[C@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072352522 558949027 /nfs/dbraw/zinc/94/90/27/558949027.db2.gz OKROAHJTYJEVHL-AWEZNQCLSA-N 0 3 420.538 3.885 40 0 HHABHN Cc1cc(N)n(-c2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)cc2)n1 ZINC000019660704 558951799 /nfs/dbraw/zinc/95/17/99/558951799.db2.gz CKSSGHPVPYDIRQ-JOCHJYFZSA-N 0 3 403.530 3.720 40 0 HHABHN COc1ccc(CN(Cc2cnc(N3CCC(C)CC3)nc2)C2CCN(C)CC2)cc1 ZINC000019664413 558954786 /nfs/dbraw/zinc/95/47/86/558954786.db2.gz VYXOIXDTMONJEP-UHFFFAOYSA-N 0 3 423.605 3.818 40 0 HHABHN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000019693967 558961931 /nfs/dbraw/zinc/96/19/31/558961931.db2.gz UITGYNCVZCZTBH-GOSISDBHSA-N 0 3 410.953 3.976 40 0 HHABHN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(Cc3cnn(C)c3C)C2)c1 ZINC000019694081 558962260 /nfs/dbraw/zinc/96/22/60/558962260.db2.gz QGVBRYHMUQSHGU-LJQANCHMSA-N 0 3 420.561 3.640 40 0 HHABHN CNC(=O)c1[nH]c(C2CCN(Cc3cccc(F)c3)CC2)nc1-c1ccc(OC)cc1 ZINC000019697008 558964751 /nfs/dbraw/zinc/96/47/51/558964751.db2.gz YCXRZEXGORTNIE-UHFFFAOYSA-N 0 3 422.504 3.964 40 0 HHABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398635 558976333 /nfs/dbraw/zinc/97/63/33/558976333.db2.gz CCFVDMDIPDHLOZ-YKSBVNFPSA-N 0 3 416.525 3.869 40 0 HHABHN O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(N[C@@H]2CCOc3ccccc32)[n-]1 ZINC000019717481 558980100 /nfs/dbraw/zinc/98/01/00/558980100.db2.gz IDYLNCGZPINDLT-HXUWFJFHSA-N 0 3 417.513 3.893 40 0 HHABHN Cc1c(C(=O)N[C@H](CCN2CCCCC2)c2ccccc2)sc2[nH]c(C)nc(=O)c12 ZINC000019719000 558982553 /nfs/dbraw/zinc/98/25/53/558982553.db2.gz CRXYTGBWXBPKQT-GOSISDBHSA-N 0 3 424.570 3.949 40 0 HHABHN CN(C)c1ncc(C(=O)N2CCC[C@@]3(CCCN3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100294 559023853 /nfs/dbraw/zinc/02/38/53/559023853.db2.gz ARFRHWPOBCMXEX-JOCHJYFZSA-N 0 3 418.488 3.680 40 0 HHABHN Cc1ccc2cc(C(=O)N3CCC[C@@](O)(CN4CCC(F)(F)CC4)CC3)[nH]c2c1 ZINC000585183662 559070442 /nfs/dbraw/zinc/07/04/42/559070442.db2.gz MLABUESXMGJUKT-NRFANRHFSA-N 0 3 405.489 3.565 40 0 HHABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000585261807 559109518 /nfs/dbraw/zinc/10/95/18/559109518.db2.gz NCGPEEREHPHNLZ-XMMPIXPASA-N 0 3 410.533 3.733 40 0 HHABHN CCCc1cnc([N-]c2nc(C3CCN(C(=O)C(C)(C)[NH3+])CC3)nc(C)c2F)s1 ZINC000585263397 559111748 /nfs/dbraw/zinc/11/17/48/559111748.db2.gz YIBSYUXDMQBGPU-UHFFFAOYSA-N 0 3 420.558 3.520 40 0 HHABHN Cc1cnn(CCOc2cccc(CN3CCC[C@@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271812 559117779 /nfs/dbraw/zinc/11/77/79/559117779.db2.gz OSONZDJBBRLLOY-VWLOTQADSA-N 0 3 421.541 3.676 40 0 HHABHN CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2ccccc2)C1 ZINC000585282362 559120084 /nfs/dbraw/zinc/12/00/84/559120084.db2.gz IIMQOIWBJQLPKL-DGWZTRNLSA-N 0 3 422.569 3.687 40 0 HHABHN O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000102005386 559148957 /nfs/dbraw/zinc/14/89/57/559148957.db2.gz TVDUNKYDUZOHKX-AABGKKOBSA-N 0 3 405.841 3.786 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102005386 559148958 /nfs/dbraw/zinc/14/89/58/559148958.db2.gz TVDUNKYDUZOHKX-AABGKKOBSA-N 0 3 405.841 3.786 40 0 HHABHN O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(OCCCn3ccnc3)c2)C1 ZINC000257330241 559283362 /nfs/dbraw/zinc/28/33/62/559283362.db2.gz XNNNVGPQJMPUQA-VWLOTQADSA-N 0 3 421.541 3.758 40 0 HHABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@H](O)COC3CCCCC3)cc2)n1 ZINC000257238860 559284079 /nfs/dbraw/zinc/28/40/79/559284079.db2.gz HMVPBRYZDWGTCD-QFIPXVFZSA-N 0 3 415.578 3.721 40 0 HHABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000000880631 560539675 /nfs/dbraw/zinc/53/96/75/560539675.db2.gz DDHMGHGIDITATE-UHFFFAOYSA-N 0 3 414.619 3.716 40 0 HHABHN Cc1cccc(NC(=S)N(CCN(C)C)Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000000884946 560540321 /nfs/dbraw/zinc/54/03/21/560540321.db2.gz LNLGWNZJBGNLKY-UHFFFAOYSA-N 0 3 408.571 3.906 40 0 HHABHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000004231207 560602931 /nfs/dbraw/zinc/60/29/31/560602931.db2.gz HNOWSJMQGALHBU-UHFFFAOYSA-N 0 3 422.529 3.749 40 0 HHABHN Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCC2)c2cccc3ccccc32)cc1 ZINC000005023365 560623708 /nfs/dbraw/zinc/62/37/08/560623708.db2.gz NHRFXQSQARCIKK-NRFANRHFSA-N 0 3 424.566 3.800 40 0 HHABHN CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2)CC1 ZINC000006026478 560739383 /nfs/dbraw/zinc/73/93/83/560739383.db2.gz HARRLNMWULWJRS-UHFFFAOYSA-N 0 3 411.399 3.646 40 0 HHABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000012709695 560786313 /nfs/dbraw/zinc/78/63/13/560786313.db2.gz IBIRAFXIHBLKRW-UHFFFAOYSA-N 0 3 414.619 3.661 40 0 HHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC1)O2 ZINC000019219276 560872050 /nfs/dbraw/zinc/87/20/50/560872050.db2.gz MQIIQCGDWOTLOZ-MTNREXPMSA-N 0 3 409.526 3.703 40 0 HHABHN CNC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000203155914 568420955 /nfs/dbraw/zinc/42/09/55/568420955.db2.gz DKJAVRLCSOOWEZ-UHFFFAOYSA-N 0 3 400.526 3.540 40 0 HHABHN COc1ccc(OC[C@H](O)CN(C)Cc2c3cccnc3[nH]c2-c2ccco2)cc1 ZINC000057773477 568497691 /nfs/dbraw/zinc/49/76/91/568497691.db2.gz FLFPZOUWPMQDJP-MRXNPFEDSA-N 0 3 407.470 3.703 40 0 HHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000223278686 568543758 /nfs/dbraw/zinc/54/37/58/568543758.db2.gz FGMUWQWXXPBINH-NHCUHLMSSA-N 0 3 409.534 3.546 40 0 HHABHN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000260845559 568742069 /nfs/dbraw/zinc/74/20/69/568742069.db2.gz TYBAQKQSSABVHX-AEFFLSMTSA-N 0 3 400.494 3.932 40 0 HHABHN CN(C)c1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3)CCN(C)CC2)ccn1 ZINC000257237954 568786944 /nfs/dbraw/zinc/78/69/44/568786944.db2.gz HIYOIHCFANSBGF-QFIPXVFZSA-N 0 3 406.574 3.766 40 0 HHABHN COc1ccc(CN2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c(C)c1C ZINC000257264310 568794104 /nfs/dbraw/zinc/79/41/04/568794104.db2.gz LTVNMNRMLSCTGJ-NRFANRHFSA-N 0 3 424.589 3.775 40 0 HHABHN O=C(CN1C[C@@H]2[C@@H](Cc3ccc(Cl)cc3)CC[C@@H]2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257289552 568801179 /nfs/dbraw/zinc/80/11/79/568801179.db2.gz PZDACLGOBNDAJN-GPMSIDNRSA-N 0 3 424.932 3.649 40 0 HHABHN CSCC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257317511 568809591 /nfs/dbraw/zinc/80/95/91/568809591.db2.gz VKAFAOXOFHXYFT-JZYSJVQDSA-N 0 3 418.603 3.541 40 0 HHABHN Cc1noc(C)c1CN1CCC2(CC1)Nc1ccccc1N(Cc1cccnc1)C2=O ZINC000306125537 568888321 /nfs/dbraw/zinc/88/83/21/568888321.db2.gz CTJRPQXPHROOSD-UHFFFAOYSA-N 0 3 417.513 3.680 40 0 HHABHN COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccc(OC)c4)cnc2CO3)cc1 ZINC000306141594 568903051 /nfs/dbraw/zinc/90/30/51/568903051.db2.gz WBLPOIICBYKMMA-DEOSSOPVSA-N 0 3 405.498 3.742 40 0 HHABHN COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044908579 569352121 /nfs/dbraw/zinc/35/21/21/569352121.db2.gz VOONAAFNEOAFQK-HKUYNNGSSA-N 0 3 400.494 3.630 40 0 HHABHN CN(C)Cc1cccc(NC(=C2c3ccc(C(N)=O)cc3NC2=O)c2ccccc2)c1 ZINC000073096225 569385402 /nfs/dbraw/zinc/38/54/02/569385402.db2.gz FSZPIAXLCCQFCM-GHVJWSGMSA-N 0 3 412.493 3.780 40 0 in-vitro HHABHN CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCN(C(C)=O)CC3)C=C2C)o1 ZINC000035442697 291249640 /nfs/dbraw/zinc/24/96/40/291249640.db2.gz BVTRSKBXNZPNKK-ACRUOGEOSA-N 0 3 402.583 3.583 40 0 biogenic,in-vitro HHABHN Cc1cc(C)nc(N2CCC(CC(=O)Nc3ccccc3CN3CCCC3)CC2)n1 ZINC000019748193 558267464 /nfs/dbraw/zinc/26/74/64/558267464.db2.gz PMKTXOTYVGIPQD-UHFFFAOYSA-N 0 3 407.562 3.934 40 0 HHABHN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(Cc3ccccn3)CC2)cc1 ZINC000019758973 558275442 /nfs/dbraw/zinc/27/54/42/558275442.db2.gz KOGDYUPJTUVYEP-UHFFFAOYSA-N 0 3 419.529 3.531 40 0 HHABHN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](C)O)c2c(OC)cccc12 ZINC000012185816 558345157 /nfs/dbraw/zinc/34/51/57/558345157.db2.gz ZKRPPZPWUUASJH-MRXNPFEDSA-N 0 3 409.482 3.969 40 0 HHABHN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3ccc(C)o3)CC2)on1 ZINC000012232386 558358318 /nfs/dbraw/zinc/35/83/18/558358318.db2.gz BJJTXBKBPFYDEO-UHFFFAOYSA-N 0 3 423.517 3.558 40 0 HHABHN Cn1cc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)c2ccccc21 ZINC000012329154 558383824 /nfs/dbraw/zinc/38/38/24/558383824.db2.gz QOLZAFMGBZCIHW-FCHUYYIVSA-N 0 3 410.489 3.702 40 0 HHABHN Cc1ccc(OC[C@@H](O)CN(C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)c(C)c1 ZINC000019132764 558845577 /nfs/dbraw/zinc/84/55/77/558845577.db2.gz ISQKABFSZHBAND-AVRDEDQJSA-N 0 3 409.530 3.903 40 0 HHABHN Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)CC2)cc1 ZINC000019136830 558846387 /nfs/dbraw/zinc/84/63/87/558846387.db2.gz LBRZGJNJSYYWOG-NRFANRHFSA-N 0 3 420.557 3.652 40 0 HHABHN Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)CC2)cc1 ZINC000019136830 558846388 /nfs/dbraw/zinc/84/63/88/558846388.db2.gz LBRZGJNJSYYWOG-NRFANRHFSA-N 0 3 420.557 3.652 40 0 HHABHN COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CCN(Cc3cccc(C)n3)C2)cc1 ZINC000019236134 558855132 /nfs/dbraw/zinc/85/51/32/558855132.db2.gz GASCHUMLCRDZSZ-SANMLTNESA-N 0 3 415.537 3.986 40 0 HHABHN OC1(c2cccnc2)[C@@H]2CCC[C@H]1CN(Cc1cccc(Oc3ncccn3)c1)C2 ZINC000019331014 558868227 /nfs/dbraw/zinc/86/82/27/558868227.db2.gz AFPLQWQRSWYFEB-SVGJNIJCSA-N 0 3 402.498 3.784 40 0 HHABHN Fc1ccccc1CN1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019348983 558874906 /nfs/dbraw/zinc/87/49/06/558874906.db2.gz JMAYYGNIOFBQGT-SFHVURJKSA-N 0 3 406.509 3.986 40 0 HHABHN O=C(c1cc(C2CCN(Cc3cccc4ccccc43)CC2)no1)N1CCC[C@H](O)C1 ZINC000019376367 558882342 /nfs/dbraw/zinc/88/23/42/558882342.db2.gz JHDBNEISDOQAQH-NRFANRHFSA-N 0 3 419.525 3.804 40 0 HHABHN CC(C)Oc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)cc1 ZINC000019450616 558889072 /nfs/dbraw/zinc/88/90/72/558889072.db2.gz GZWSPHSCEVDEAO-UHFFFAOYSA-N 0 3 404.514 3.999 40 0 HHABHN CCCN1CCN(CC2=CCCOC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503047 558900333 /nfs/dbraw/zinc/90/03/33/558900333.db2.gz GZBYXHCZHLNRRA-RUZDIDTESA-N 0 3 419.569 3.808 40 0 HHABHN CCN1CCN(CCCNc2ncc(-c3ccncc3)c(-c3ccoc3C)n2)CC1 ZINC000019528196 558909277 /nfs/dbraw/zinc/90/92/77/558909277.db2.gz ICOMWIWLXVKOOH-UHFFFAOYSA-N 0 3 406.534 3.547 40 0 HHABHN CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2cccnc2)C1 ZINC000019528749 558910177 /nfs/dbraw/zinc/91/01/77/558910177.db2.gz CIEDHDASILZBFN-DEOSSOPVSA-N 0 3 404.514 3.698 40 0 HHABHN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000019553967 558917025 /nfs/dbraw/zinc/91/70/25/558917025.db2.gz JAKOLGSQPJGUKP-ZEQRLZLVSA-N 0 3 416.525 3.730 40 0 HHABHN COc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000019563122 558923495 /nfs/dbraw/zinc/92/34/95/558923495.db2.gz NRPMOWKOMQUZTR-FCHUYYIVSA-N 0 3 408.498 3.561 40 0 HHABHN COc1cccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4ccccc4)C3)no2)c1 ZINC000019565616 558925536 /nfs/dbraw/zinc/92/55/36/558925536.db2.gz BSAWCETZVIQJCR-HXUWFJFHSA-N 0 3 405.498 3.993 40 0 HHABHN CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2ccncc2)C1 ZINC000019579612 558935371 /nfs/dbraw/zinc/93/53/71/558935371.db2.gz ISVYJMHVJDOTIN-XMMPIXPASA-N 0 3 404.514 3.650 40 0 HHABHN CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccn2)C1 ZINC000019580431 558936031 /nfs/dbraw/zinc/93/60/31/558936031.db2.gz RXYAHQQTPSHEMA-RUZDIDTESA-N 0 3 400.526 3.667 40 0 HHABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000072345943 558942432 /nfs/dbraw/zinc/94/24/32/558942432.db2.gz MQZSXQHLXKXXQN-GOSISDBHSA-N 0 3 421.932 3.858 40 0 HHABHN CNc1cc(C2CCN(Cc3cc(OC)cc(OC)c3)CC2)nc(-c2cccnc2)n1 ZINC000019592231 558943144 /nfs/dbraw/zinc/94/31/44/558943144.db2.gz IRHQZMGXNMCXRR-UHFFFAOYSA-N 0 3 419.529 3.977 40 0 HHABHN COc1ccc(CC(=O)N2CCN(C3CCCC3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072355163 558952576 /nfs/dbraw/zinc/95/25/76/558952576.db2.gz GMXFEVCUPCEVRX-NRFANRHFSA-N 0 3 407.558 3.578 40 0 HHABHN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000019693997 558962113 /nfs/dbraw/zinc/96/21/13/558962113.db2.gz ODOICZYKAFXCKB-GOSISDBHSA-N 0 3 410.953 3.976 40 0 HHABHN Cc1c(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019694084 558962313 /nfs/dbraw/zinc/96/23/13/558962313.db2.gz UHAMWWCZQGUENH-SFHVURJKSA-N 0 3 408.525 3.770 40 0 HHABHN O=C(Nc1ccc([C@@H]2CCc3nncn3C2)cc1)c1ccccc1CN1CCCC1 ZINC000019699153 558966584 /nfs/dbraw/zinc/96/65/84/558966584.db2.gz AZVFNWQYCNVXOM-LJQANCHMSA-N 0 3 401.514 3.856 40 0 HHABHN CCOc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)O[C@H](C)C2 ZINC000072392544 558972240 /nfs/dbraw/zinc/97/22/40/558972240.db2.gz RTGNYWGUDRVXII-GQKWOBABSA-N 0 3 408.542 3.842 40 0 HHABHN COCCNC(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053368 559093274 /nfs/dbraw/zinc/09/32/74/559093274.db2.gz OTHXISAPZWYYDT-IBGZPJMESA-N 0 3 414.571 3.802 40 0 HHABHN O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096245508 559105034 /nfs/dbraw/zinc/10/50/34/559105034.db2.gz PDXXZHKPHCAMDN-KDURUIRLSA-N 0 3 403.448 3.623 40 0 HHABHN CC(=O)N1CCN([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585287871 559123144 /nfs/dbraw/zinc/12/31/44/559123144.db2.gz UELUQDVYKZBEHR-HWBMXIPRSA-N 0 3 416.606 3.874 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(O)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102729531 559152337 /nfs/dbraw/zinc/15/23/37/559152337.db2.gz IGUTXHYMHKWJIM-HKBOAZHASA-N 0 3 404.397 3.582 40 0 HHABHN O[C@]1(COc2ccccc2)CCCN(Cc2cccc(OCCCn3ccnc3)c2)C1 ZINC000257330240 559283382 /nfs/dbraw/zinc/28/33/82/559283382.db2.gz XNNNVGPQJMPUQA-RUZDIDTESA-N 0 3 421.541 3.758 40 0 HHABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000004721481 568419458 /nfs/dbraw/zinc/41/94/58/568419458.db2.gz QKCWRQZHQLQNEA-HBMCJLEFSA-N 0 3 404.422 3.729 40 0 HHABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CN[C@H](C)[C@@H](O)c3ccccc3)o2)c1 ZINC000022108581 568475421 /nfs/dbraw/zinc/47/54/21/568475421.db2.gz WVEWBMQVSGHADS-IVZQSRNASA-N 0 3 423.465 3.732 40 0 HHABHN COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(C)cc4)CC3)n2)c1 ZINC000219408587 568491356 /nfs/dbraw/zinc/49/13/56/568491356.db2.gz ROTVKQXQZQEXPD-UHFFFAOYSA-N 0 3 420.513 3.582 40 0 HHABHN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223277350 568543851 /nfs/dbraw/zinc/54/38/51/568543851.db2.gz XGZVYPFWXQSRDY-YADHBBJMSA-N 0 3 405.571 3.715 40 0 HHABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1Cc1cccnc1 ZINC000223451753 568549283 /nfs/dbraw/zinc/54/92/83/568549283.db2.gz NVPYJXZLAZMMIT-VXKWHMMOSA-N 0 3 412.522 3.835 40 0 HHABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1Cc1ccncc1 ZINC000223487496 568550255 /nfs/dbraw/zinc/55/02/55/568550255.db2.gz NAKSDBNTCUZNMP-YADHBBJMSA-N 0 3 412.522 3.835 40 0 HHABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c(C)c1C ZINC000224852765 568600453 /nfs/dbraw/zinc/60/04/53/568600453.db2.gz RNDSDKDDRXJMSV-UHFFFAOYSA-N 0 3 402.560 3.776 40 0 HHABHN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000224853073 568600497 /nfs/dbraw/zinc/60/04/97/568600497.db2.gz PIYHZISDBQTOQY-UHFFFAOYSA-N 0 3 408.951 3.813 40 0 HHABHN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000225278280 568627498 /nfs/dbraw/zinc/62/74/98/568627498.db2.gz RSQTYRNRDQDHSS-QZTJIDSGSA-N 0 3 400.906 3.508 40 0 HHABHN CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(Cc4cccnc4)C3)ccc2c1N ZINC000257234696 568786200 /nfs/dbraw/zinc/78/62/00/568786200.db2.gz GUSPZEZXXLHDFK-QFIPXVFZSA-N 0 3 409.559 3.529 40 0 HHABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000257305151 568806041 /nfs/dbraw/zinc/80/60/41/568806041.db2.gz SOQWWFOJSNLJBU-DEOSSOPVSA-N 0 3 409.505 3.796 40 0 HHABHN COc1cc2c(cc1CN1CCC(c3cncc(Nc4ncccn4)n3)CC1)CCC2 ZINC000257311938 568807710 /nfs/dbraw/zinc/80/77/10/568807710.db2.gz ULRPDTDVBYEODJ-UHFFFAOYSA-N 0 3 416.529 3.887 40 0 HHABHN CC(=O)N1CCN(C(=O)c2ccccc2CN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000257324638 568811817 /nfs/dbraw/zinc/81/18/17/568811817.db2.gz WPOOCXOIZKIJPP-XMMPIXPASA-N 0 3 405.542 3.718 40 0 HHABHN O=C(Cc1cccs1)N1C[C@@H]2O[C@@H](C[C@@]23CCCN(Cc2cccs2)C3)C1 ZINC000306129706 568892295 /nfs/dbraw/zinc/89/22/95/568892295.db2.gz IKONXWKYZKQVIB-NBHGPNQESA-N 0 3 402.585 3.634 40 0 HHABHN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306131327 568893769 /nfs/dbraw/zinc/89/37/69/568893769.db2.gz KCAHHJJLPOIXNZ-UPVQGACJSA-N 0 3 419.550 3.540 40 0 HHABHN Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23CN(C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139184 568900946 /nfs/dbraw/zinc/90/09/46/568900946.db2.gz SRMVJUOZJKXZBS-YCYVKTGYSA-N 0 3 412.578 3.521 40 0 HHABHN COc1cccc(CN2CCC(n3cnc4ncc(-c5ccc(F)nc5)nc43)CC2)c1 ZINC000306143675 568905214 /nfs/dbraw/zinc/90/52/14/568905214.db2.gz YINNAAPXKSRNPG-UHFFFAOYSA-N 0 3 418.476 3.873 40 0 HHABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000226262242 569278615 /nfs/dbraw/zinc/27/86/15/569278615.db2.gz ZJFRZNZHXZBOQN-UHFFFAOYSA-N 0 3 423.344 3.978 40 0 HHABHN Cc1ccc(S(=O)(=O)C2C(=O)N[C@]3(C)C[C@H]2c2cc(Cl)ccc2O3)cc1C ZINC000004315581 569323284 /nfs/dbraw/zinc/32/32/84/569323284.db2.gz HPFZZEPROBARDZ-HQRMLTQVSA-N 0 3 405.903 3.511 40 0 HHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC1)O2 ZINC000019219269 569345262 /nfs/dbraw/zinc/34/52/62/569345262.db2.gz MQIIQCGDWOTLOZ-YHYVQYDKSA-N 0 3 409.526 3.703 40 0 HHABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000019560935 569345617 /nfs/dbraw/zinc/34/56/17/569345617.db2.gz RTJVJMQQJWTSBM-GBXCKJPGSA-N 0 3 423.557 3.968 40 0 HHABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000019690458 569428418 /nfs/dbraw/zinc/42/84/18/569428418.db2.gz CKLPYLHFSIQRKL-NRFANRHFSA-N 0 3 401.514 3.646 40 0 HHABHN CC(C)C[C@@H]1N[C@H](C(=O)NCC2CC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171750 291248065 /nfs/dbraw/zinc/24/80/65/291248065.db2.gz IXPJJNOSJIREOK-SFTDATJTSA-N 0 3 419.573 3.551 40 0 biogenic,in-vitro HHABHN Cc1cccc2cc(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c12 ZINC000000880611 557109362 /nfs/dbraw/zinc/10/93/62/557109362.db2.gz DGUYURPHORSDQV-UHFFFAOYSA-N 0 3 412.534 3.736 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000004171787 557523943 /nfs/dbraw/zinc/52/39/43/557523943.db2.gz BBDZXTPMYXECLD-UFYCRDLUSA-N 0 3 406.463 3.808 40 0 HHABHN CCCCCCOCCOCCN(CCO)CCOCCOCCCCCC ZINC000005418128 557652629 /nfs/dbraw/zinc/65/26/29/557652629.db2.gz HDIZUYDWDGPRFH-UHFFFAOYSA-N 0 3 405.620 3.508 40 0 HHABHN COc1cc(Br)c(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000005722513 557670710 /nfs/dbraw/zinc/67/07/10/557670710.db2.gz QKHZFXGDKKIIJA-INIZCTEOSA-N 0 3 422.319 3.913 40 0 HHABHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000010334685 557861141 /nfs/dbraw/zinc/86/11/41/557861141.db2.gz FWVUVLMZWUYIHU-UHFFFAOYSA-N 0 3 415.559 3.565 40 0 HHABHN C[C@@H]1[C@@H](C)CCCN1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182855 558343609 /nfs/dbraw/zinc/34/36/09/558343609.db2.gz LHZUQDZNUSSQCI-QGWWYQLQSA-N 0 3 402.539 3.507 40 0 HHABHN COc1ccc(OCCCNCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000012186474 558345763 /nfs/dbraw/zinc/34/57/63/558345763.db2.gz SCOORQGWBRPXEF-UHFFFAOYSA-N 0 3 418.497 3.590 40 0 HHABHN COc1ccccc1C1(O)CCN(Cc2c(C)n(CCCO)c3ccccc32)CC1 ZINC000012328797 558383792 /nfs/dbraw/zinc/38/37/92/558383792.db2.gz GFPPUXBEPZINJQ-UHFFFAOYSA-N 0 3 408.542 3.824 40 0 HHABHN Cn1cc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)c2ccccc21 ZINC000012329150 558383841 /nfs/dbraw/zinc/38/38/41/558383841.db2.gz QOLZAFMGBZCIHW-VXKWHMMOSA-N 0 3 410.489 3.702 40 0 HHABHN Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000012329204 558384027 /nfs/dbraw/zinc/38/40/27/558384027.db2.gz SFQVDQSCFWJEJT-SFTDATJTSA-N 0 3 410.489 4.000 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)C[C@@H]2O ZINC000012330162 558385136 /nfs/dbraw/zinc/38/51/36/558385136.db2.gz SIHJWSCPLWQSJJ-GOTSBHOMSA-N 0 3 409.526 3.568 40 0 HHABHN COc1nc(-c2ccccc2)nc(C)c1CC(=O)N1CCCC[C@H]1CN1CCCCC1 ZINC000012360868 558386880 /nfs/dbraw/zinc/38/68/80/558386880.db2.gz RAXGUZOXOLGOEF-NRFANRHFSA-N 0 3 422.573 3.870 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000020798527 558414780 /nfs/dbraw/zinc/41/47/80/558414780.db2.gz SDFLBJFCJFXWKQ-FQEVSTJZSA-N 0 3 420.465 3.718 40 0 HHABHN CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCc3ccncc3)cc12 ZINC000036740454 558801651 /nfs/dbraw/zinc/80/16/51/558801651.db2.gz GIUHMZYNOMJVJT-UHFFFAOYSA-N 0 3 419.504 3.878 40 0 HHABHN O=C(CC1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000039964011 558823033 /nfs/dbraw/zinc/82/30/33/558823033.db2.gz RJJOUPOTFAZKSB-IBGZPJMESA-N 0 3 404.401 3.885 40 0 HHABHN COc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(C)=O)c1OC ZINC000019019520 558837551 /nfs/dbraw/zinc/83/75/51/558837551.db2.gz SFHDIIFWAGTQTD-UFYCRDLUSA-N 0 3 400.544 3.602 40 0 HHABHN COc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)cc3F)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285505 558859965 /nfs/dbraw/zinc/85/99/65/558859965.db2.gz WCCIQRNOIODYRN-LEWJYISDSA-N 0 3 423.488 3.618 40 0 HHABHN COc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)cc3F)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285505 558859966 /nfs/dbraw/zinc/85/99/66/558859966.db2.gz WCCIQRNOIODYRN-LEWJYISDSA-N 0 3 423.488 3.618 40 0 HHABHN C[C@H]1CCCN(CC(C)(C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019496537 558895554 /nfs/dbraw/zinc/89/55/54/558895554.db2.gz UMOVQTQKNZSTDD-KRWDZBQOSA-N 0 3 403.530 3.932 40 0 HHABHN CC[C@@H]1CCCCN1CC(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](c2csnn2)C1 ZINC000019500959 558898882 /nfs/dbraw/zinc/89/88/82/558898882.db2.gz UOHNIWRUFCGOHJ-YZGWKJHDSA-N 0 3 414.575 3.521 40 0 HHABHN CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)c2N1 ZINC000019520889 558902278 /nfs/dbraw/zinc/90/22/78/558902278.db2.gz UAHZEJQIMRAUAJ-SZMVWBNQSA-N 0 3 423.483 3.922 40 0 HHABHN C=Cn1ncc(CN2CCC(c3cc4nc(N(CC)CC)ncc4c(=O)[nH]3)CC2)c1C ZINC000019526562 558907959 /nfs/dbraw/zinc/90/79/59/558907959.db2.gz NITSJXMHKWNYQU-UHFFFAOYSA-N 0 3 421.549 3.562 40 0 HHABHN Cc1cc(C[N@H+]2CCC[C@H](Cn3nnc4c3nc(C(C)C)[n-]c4=O)C2)c(C)s1 ZINC000019567967 558927000 /nfs/dbraw/zinc/92/70/00/558927000.db2.gz GXMPAHLXAHDGOW-HNNXBMFYSA-N 0 3 400.552 3.641 40 0 HHABHN Cc1cc(C[N@@H+]2CCC[C@H](Cn3nnc4c3nc(C(C)C)[n-]c4=O)C2)c(C)s1 ZINC000019567967 558927002 /nfs/dbraw/zinc/92/70/02/558927002.db2.gz GXMPAHLXAHDGOW-HNNXBMFYSA-N 0 3 400.552 3.641 40 0 HHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1 ZINC000019591333 558941616 /nfs/dbraw/zinc/94/16/16/558941616.db2.gz AYXOPBYWRLFALI-VWLOTQADSA-N 0 3 400.526 3.715 40 0 HHABHN CC(=O)N1CCC(N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346207 558943056 /nfs/dbraw/zinc/94/30/56/558943056.db2.gz ZSSNITNTBIKMEI-QGZVFWFLSA-N 0 3 413.953 3.570 40 0 HHABHN Cc1cnc(CCNC(=O)c2ccc([C@H]3CCCN(Cc4ccccn4)C3)nc2)s1 ZINC000072374393 558961858 /nfs/dbraw/zinc/96/18/58/558961858.db2.gz ZSNAIHGDKKAZMU-IBGZPJMESA-N 0 3 421.570 3.594 40 0 HHABHN Cc1cccc2[nH]c(C(=O)N3CCC[C@@](O)(CN4CCC(F)(F)CC4)CC3)cc21 ZINC000585183666 559070459 /nfs/dbraw/zinc/07/04/59/559070459.db2.gz OFXMQRWZOKGPNX-NRFANRHFSA-N 0 3 405.489 3.565 40 0 HHABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056076 559094009 /nfs/dbraw/zinc/09/40/09/559094009.db2.gz JLDGRCDPEDKWOU-REWPJTCUSA-N 0 3 413.587 3.729 40 0 HHABHN C[C@@H]1CC[C@@H]2[C@@H](O1)c1ccc(C(=O)NCCC[NH+]3CCCC3)c([O-])c1OC2(C)C ZINC000585267254 559112641 /nfs/dbraw/zinc/11/26/41/559112641.db2.gz PYXUITNSGWBQTK-ZTNFWEORSA-N 0 3 402.535 3.635 40 0 HHABHN CO[C@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272758 559118202 /nfs/dbraw/zinc/11/82/02/559118202.db2.gz JKSRWOZUZCFRTH-XMMPIXPASA-N 0 3 414.521 3.700 40 0 HHABHN O[C@H]1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585283725 559120804 /nfs/dbraw/zinc/12/08/04/559120804.db2.gz UCEBZETVXCAHCH-BTDFZRAWSA-N 0 3 417.496 3.868 40 0 HHABHN Cc1cc(OC[C@]2(O)COCCN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287335 559122038 /nfs/dbraw/zinc/12/20/38/559122038.db2.gz MSFKBYQEZUCRIS-VEXUSMLFSA-N 0 3 423.569 3.544 40 0 HHABHN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCN4CCC[C@@H]4C3)c12 ZINC000017082252 559122613 /nfs/dbraw/zinc/12/26/13/559122613.db2.gz NZTGNSVSLLDOKS-LJQANCHMSA-N 0 3 401.514 3.527 40 0 HHABHN Cc1cc2cc(CN(CCN(C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2cc1C ZINC000012709913 560786308 /nfs/dbraw/zinc/78/63/08/560786308.db2.gz ADCHHWLREUAKDF-UHFFFAOYSA-N 0 3 414.619 3.716 40 0 HHABHN Cc1ncn(C23C[C@@H]4C[C@@H](CC(C(=O)NC[C@@H](c5ccc(C)cc5)N(C)C)(C4)C2)C3)n1 ZINC000019136421 560871941 /nfs/dbraw/zinc/87/19/41/560871941.db2.gz FQBFIQUSOKGVOO-QQASBRCQSA-N 0 3 421.589 3.610 40 0 HHABHN CCCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000020141136 560881600 /nfs/dbraw/zinc/88/16/00/560881600.db2.gz KMCLURODZPNEOA-NRFANRHFSA-N 0 3 400.546 3.652 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000004166178 560893450 /nfs/dbraw/zinc/89/34/50/560893450.db2.gz HXJRKUHQBVJCQZ-AQNXPRMDSA-N 0 3 424.840 3.993 40 0 HHABHN Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 ZINC000008635416 565098636 /nfs/dbraw/zinc/09/86/36/565098636.db2.gz GUFDAJWNAJWBJV-UHOSZYNNSA-N 0 3 405.502 3.680 40 0 biogenic,in-vitro HHABHN Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223277076 568543742 /nfs/dbraw/zinc/54/37/42/568543742.db2.gz ZSXXYERVFWUJHH-FGZHOGPDSA-N 0 3 405.571 3.715 40 0 HHABHN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223277295 568543847 /nfs/dbraw/zinc/54/38/47/568543847.db2.gz XGZVYPFWXQSRDY-FGZHOGPDSA-N 0 3 405.571 3.715 40 0 HHABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 ZINC000225576902 568653357 /nfs/dbraw/zinc/65/33/57/568653357.db2.gz KCFITZVXXNPHTH-UHFFFAOYSA-N 0 3 402.922 3.967 40 0 HHABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccc(OCc3ccccc3)cc2)C1 ZINC000255963623 568774102 /nfs/dbraw/zinc/77/41/02/568774102.db2.gz AYJXZURDIOKQON-IFMALSPDSA-N 0 3 411.546 3.864 40 0 HHABHN CC(C)[C@@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257268405 568795253 /nfs/dbraw/zinc/79/52/53/568795253.db2.gz MLNRUYBAEPZGMK-VMCMCTHWSA-N 0 3 406.954 3.789 40 0 HHABHN COc1ccc(CN2CCC(c3nnc4ccc(-c5ccncc5)nn43)CC2)cc1 ZINC000306132309 568894695 /nfs/dbraw/zinc/89/46/95/568894695.db2.gz LESZOAAPWSSKQA-UHFFFAOYSA-N 0 3 400.486 3.575 40 0 HHABHN COC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218591495 568938452 /nfs/dbraw/zinc/93/84/52/568938452.db2.gz PXATVBJBYUSZAX-FGTMMUONSA-N 0 3 400.327 3.525 40 0 HHABHN CCOC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611393 568939756 /nfs/dbraw/zinc/93/97/56/568939756.db2.gz COKOVRNILPZULJ-GBESFXJTSA-N 0 3 414.354 3.915 40 0 HHABHN Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329005244 568972188 /nfs/dbraw/zinc/97/21/88/568972188.db2.gz KXGLRVDZSQGHII-KRWDZBQOSA-N 0 3 410.440 3.675 40 0 HHABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000019552250 569345711 /nfs/dbraw/zinc/34/57/11/569345711.db2.gz RRHPAUUBXJDDLQ-AUSIDOKSSA-N 0 3 409.530 3.578 40 0 HHABHN COc1ccc(CN2CC[C@]3(C)[C@H]2CCCCC(=O)N3C)cc1Cn1nc(C)cc1C ZINC000019713675 569348376 /nfs/dbraw/zinc/34/83/76/569348376.db2.gz QTCHFGJXKBGXPO-ILBGXUMGSA-N 0 3 424.589 3.922 40 0 HHABHN COc1ccc(CN2CC[C@@]3(C)NC(=O)CCCC[C@@H]23)cc1Cc1c(C)n[nH]c1C ZINC000019713388 569348417 /nfs/dbraw/zinc/34/84/17/569348417.db2.gz BNDNUBIRYLNDGO-ISKFKSNPSA-N 0 3 410.562 3.649 40 0 HHABHN COc1ccc(CN2C(=O)CCCC[C@H]3N(Cc4cnn(C)c4C)CC[C@]32C)cc1 ZINC000019713677 569348463 /nfs/dbraw/zinc/34/84/63/569348463.db2.gz CQHUOTUPQOTWAP-ISKFKSNPSA-N 0 3 410.562 3.673 40 0 HHABHN CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635312 291249527 /nfs/dbraw/zinc/24/95/27/291249527.db2.gz JENOSBWVRULIQQ-UHOSZYNNSA-N 0 3 400.498 3.540 40 0 biogenic,in-vitro HHABHN COc1ccc(CNC[C@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)cc1 ZINC000077262857 291254959 /nfs/dbraw/zinc/25/49/59/291254959.db2.gz NBJATMBRXOEWSE-WPFOTENUSA-N 0 3 408.498 3.591 40 0 biogenic,in-vitro HHABHN CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(COc4ccccn4)CC3)ccc21 ZINC000012326743 132358752 /nfs/dbraw/zinc/35/87/52/132358752.db2.gz OEMUZMKKFNTWNS-HSZRJFAPSA-N 0 3 423.557 3.595 40 0 HHABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(OCc4ccccc4)CC3)ccc21 ZINC000012326549 132358757 /nfs/dbraw/zinc/35/87/57/132358757.db2.gz DXKIBLRJRKEHCN-VWLOTQADSA-N 0 3 408.542 3.700 40 0 HHABHN COc1ccc(CCNCC(=O)Nc2ccc(C)c(Br)c2)cc1OC ZINC000005000513 557623568 /nfs/dbraw/zinc/62/35/68/557623568.db2.gz SZCWGWRNKBRLOM-UHFFFAOYSA-N 0 3 407.308 3.546 40 0 HHABHN C1=N/CCNCC/N=C/c2ccccc2OCc2cccc(n2)COc2ccccc2/1 ZINC000005580364 557663207 /nfs/dbraw/zinc/66/32/07/557663207.db2.gz CPUMPYHWJQXHHV-ODBZBXGJSA-N 0 3 414.509 3.681 40 0 HHABHN O=C(NCCCn1cccn1)c1ccc([C@@H]2CCCN(Cc3ccccc3F)C2)nc1 ZINC000019752769 558271957 /nfs/dbraw/zinc/27/19/57/558271957.db2.gz JGCUXDUDUCJWKQ-OAQYLSRUSA-N 0 3 421.520 3.617 40 0 HHABHN COc1c(C)cccc1CN1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182136 558343115 /nfs/dbraw/zinc/34/31/15/558343115.db2.gz XYXCXSVJAPNTOJ-BHYGNILZSA-N 0 3 409.456 3.795 40 0 HHABHN C[C@@H]1C[C@H](C)CN(CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000012182208 558343163 /nfs/dbraw/zinc/34/31/63/558343163.db2.gz HAFYLKNECXTJLO-OHQAAIJDSA-N 0 3 418.994 3.879 40 0 HHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330262 558385202 /nfs/dbraw/zinc/38/52/02/558385202.db2.gz FBDGYPQGWAGPQE-BJKOFHAPSA-N 0 3 423.553 3.958 40 0 HHABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330296 558385504 /nfs/dbraw/zinc/38/55/04/558385504.db2.gz DIPNPKADAGYUON-DHIUTWEWSA-N 0 3 409.526 3.655 40 0 HHABHN COc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1OC ZINC000028220627 558693034 /nfs/dbraw/zinc/69/30/34/558693034.db2.gz SBEUILKAJUHRCY-LJQANCHMSA-N 0 3 416.949 3.928 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000100799307 558796077 /nfs/dbraw/zinc/79/60/77/558796077.db2.gz HXJRKUHQBVJCQZ-ZCNNSNEGSA-N 0 3 424.840 3.993 40 0 HHABHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850739 558818771 /nfs/dbraw/zinc/81/87/71/558818771.db2.gz ZHGOXBOKEJTHOV-JOCHJYFZSA-N 0 3 411.977 3.896 40 0 HHABHN COCCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)n2c3ccccc3nc21 ZINC000039963982 558823061 /nfs/dbraw/zinc/82/30/61/558823061.db2.gz QSAWSIGDBGNXBI-GOSISDBHSA-N 0 3 412.877 3.643 40 0 HHABHN CN1CCC(N(C[C@@H]2CCCO2)C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000019082399 558840148 /nfs/dbraw/zinc/84/01/48/558840148.db2.gz SWUKBEDKZRBBQR-AEFFLSMTSA-N 0 3 403.567 3.541 40 0 HHABHN COc1ccc(CN(Cc2ccccn2)C[C@@H]2CCCO2)cc1Cn1ccnc1C ZINC000019288187 558861152 /nfs/dbraw/zinc/86/11/52/558861152.db2.gz UPXNOZDPOOIRNP-QHCPKHFHSA-N 0 3 406.530 3.825 40 0 HHABHN Fc1ccccc1OCCCN1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019368113 558877121 /nfs/dbraw/zinc/87/71/21/558877121.db2.gz FCGYDNVOBCSPHS-HYVNUMGLSA-N 0 3 409.456 3.589 40 0 HHABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1CC1=CCCCC1 ZINC000019404195 558884322 /nfs/dbraw/zinc/88/43/22/558884322.db2.gz RBEAAYGPVFBBQC-QFIPXVFZSA-N 0 3 422.577 3.570 40 0 HHABHN CC(C)Oc1cccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)c1 ZINC000019450844 558889062 /nfs/dbraw/zinc/88/90/62/558889062.db2.gz XDHREIDVDATVLW-UHFFFAOYSA-N 0 3 404.514 3.999 40 0 HHABHN CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019499847 558898125 /nfs/dbraw/zinc/89/81/25/558898125.db2.gz IGIJKYZXMNJXEO-JXFKEZNVSA-N 0 3 400.567 3.830 40 0 HHABHN CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019499847 558898126 /nfs/dbraw/zinc/89/81/26/558898126.db2.gz IGIJKYZXMNJXEO-JXFKEZNVSA-N 0 3 400.567 3.830 40 0 HHABHN CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019499847 558898128 /nfs/dbraw/zinc/89/81/28/558898128.db2.gz IGIJKYZXMNJXEO-JXFKEZNVSA-N 0 3 400.567 3.830 40 0 HHABHN CCc1ncc(CN2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523310 558904353 /nfs/dbraw/zinc/90/43/53/558904353.db2.gz ZUZMBIBPYHHQTR-VWLOTQADSA-N 0 3 400.526 3.626 40 0 HHABHN CCn1cc([C@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 ZINC000019524756 558906015 /nfs/dbraw/zinc/90/60/15/558906015.db2.gz LCQWZTHGHLLXDL-XMMPIXPASA-N 0 3 418.541 3.571 40 0 HHABHN CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccccn2)C1 ZINC000019529158 558910788 /nfs/dbraw/zinc/91/07/88/558910788.db2.gz QNODKOVCNMFZSC-RUZDIDTESA-N 0 3 400.526 3.715 40 0 HHABHN Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1cccnc1)C1CCN(C)CC1 ZINC000019561006 558922029 /nfs/dbraw/zinc/92/20/29/558922029.db2.gz QHZCJKGROHSWLI-UHFFFAOYSA-N 0 3 407.543 3.645 40 0 HHABHN Cc1c(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019694085 558962339 /nfs/dbraw/zinc/96/23/39/558962339.db2.gz GVCCAVYARGPEIK-GOSISDBHSA-N 0 3 408.525 3.770 40 0 HHABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000072398559 558975896 /nfs/dbraw/zinc/97/58/96/558975896.db2.gz QUDIYISPMHIWQV-GCJKJVERSA-N 0 3 409.530 3.578 40 0 HHABHN CCc1nc(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)sc1C ZINC000019715495 558976563 /nfs/dbraw/zinc/97/65/63/558976563.db2.gz LPFSJHTVKWDVTO-AWEZNQCLSA-N 0 3 415.538 3.923 40 0 HHABHN Cc1nc(N2CCOCC2)sc1CN1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019715765 558977048 /nfs/dbraw/zinc/97/70/48/558977048.db2.gz ZQVSMLUCAVAKQL-KRWDZBQOSA-N 0 3 411.575 3.554 40 0 HHABHN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(C)ccc3OCCN3CCCC3)c12 ZINC000019716334 558978094 /nfs/dbraw/zinc/97/80/94/558978094.db2.gz PDCKWFOMGXYFFV-UHFFFAOYSA-N 0 3 407.518 3.620 40 0 HHABHN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(CCOc4cccc(F)c4)C[C@@H]32)no1 ZINC000585109512 559029377 /nfs/dbraw/zinc/02/93/77/559029377.db2.gz ALSWMRIIPLQRSZ-QNWVGRARSA-N 0 3 421.472 3.701 40 0 HHABHN Cc1nccn1CCOc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585272744 559118199 /nfs/dbraw/zinc/11/81/99/559118199.db2.gz JHSAFSWGHOOBJK-RUZDIDTESA-N 0 3 421.541 3.676 40 0 HHABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC3CCCCC3)cc12 ZINC000000880651 560539696 /nfs/dbraw/zinc/53/96/96/560539696.db2.gz PFCHCIVHDGFFPS-UHFFFAOYSA-N 0 3 414.619 3.716 40 0 HHABHN Cc1cc(C)n(Cc2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc2)n1 ZINC000149135771 560558839 /nfs/dbraw/zinc/55/88/39/560558839.db2.gz VHONDGJOXLLEIT-UHFFFAOYSA-N 0 3 402.542 3.726 40 0 HHABHN Cc1cccc2cc(CN(CCN(C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c12 ZINC000004133474 560600481 /nfs/dbraw/zinc/60/04/81/560600481.db2.gz SZDSXYPEMVVJSZ-SFHVURJKSA-N 0 3 422.598 3.836 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000100634975 560850736 /nfs/dbraw/zinc/85/07/36/560850736.db2.gz CXQYYROFFWGQCQ-ZCNNSNEGSA-N 0 3 406.463 3.808 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102005352 560852336 /nfs/dbraw/zinc/85/23/36/560852336.db2.gz PUFCLNNYRLZNST-UFYCRDLUSA-N 0 3 405.841 3.786 40 0 HHABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCc3ccc(F)cc3)o2)c1 ZINC000022108551 568475334 /nfs/dbraw/zinc/47/53/34/568475334.db2.gz YIGVTNJYSFPULX-UHFFFAOYSA-N 0 3 411.429 3.991 40 0 HHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000223278570 568543837 /nfs/dbraw/zinc/54/38/37/568543837.db2.gz FGMUWQWXXPBINH-RTWAWAEBSA-N 0 3 409.534 3.546 40 0 HHABHN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223277126 568543877 /nfs/dbraw/zinc/54/38/77/568543877.db2.gz ZSXXYERVFWUJHH-YADHBBJMSA-N 0 3 405.571 3.715 40 0 HHABHN CCc1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1OC ZINC000224850596 568600229 /nfs/dbraw/zinc/60/02/29/568600229.db2.gz HBMFOYFJERKNPW-UHFFFAOYSA-N 0 3 402.560 3.722 40 0 HHABHN O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1 ZINC000020494780 568615570 /nfs/dbraw/zinc/61/55/70/568615570.db2.gz NOOHLTYSCPANMT-RUZDIDTESA-N 0 3 423.472 3.850 40 0 HHABHN COC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225487563 568642028 /nfs/dbraw/zinc/64/20/28/568642028.db2.gz IBFVEHOFGCDTTL-UHFFFAOYSA-N 0 3 401.510 3.967 40 0 HHABHN Cc1cncc([C@H]2CCCN(C(=O)C3(Cc4cccc(F)c4)CCN(C)CC3)C2)n1 ZINC000257207002 568778193 /nfs/dbraw/zinc/77/81/93/568778193.db2.gz BFVQOBCYTKPKOW-FQEVSTJZSA-N 0 3 410.537 3.585 40 0 HHABHN CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC(Cc3ccncc3)CC2)CC1 ZINC000257244525 568788598 /nfs/dbraw/zinc/78/85/98/568788598.db2.gz ILTGNGRURLNZPZ-UHFFFAOYSA-N 0 3 409.549 3.957 40 0 HHABHN Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)CN3CCC(C)CC3)CC2)n1 ZINC000257267762 568794941 /nfs/dbraw/zinc/79/49/41/568794941.db2.gz MIQUETRVFFUKII-UHFFFAOYSA-N 0 3 407.562 3.967 40 0 HHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(S(=O)(=O)N3CCCCC3)C2)n1 ZINC000257289698 568801387 /nfs/dbraw/zinc/80/13/87/568801387.db2.gz PZVDSHXTYMVMEY-QGZVFWFLSA-N 0 3 418.538 3.793 40 0 HHABHN Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)NC3CCCCC3)CC2)n1 ZINC000257291591 568802023 /nfs/dbraw/zinc/80/20/23/568802023.db2.gz QHSKMKLUDTYVAF-UHFFFAOYSA-N 0 3 408.550 3.552 40 0 HHABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000257305152 568806130 /nfs/dbraw/zinc/80/61/30/568806130.db2.gz SOQWWFOJSNLJBU-XMMPIXPASA-N 0 3 409.505 3.796 40 0 HHABHN CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccn2)CC1 ZINC000257311574 568807692 /nfs/dbraw/zinc/80/76/92/568807692.db2.gz UKCWMNBDAUTJFQ-UHFFFAOYSA-N 0 3 400.526 3.715 40 0 HHABHN COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccc(OC)cc4)cnc2CO3)cc1 ZINC000306134183 568896159 /nfs/dbraw/zinc/89/61/59/568896159.db2.gz NFHLWUGJROZSOP-DEOSSOPVSA-N 0 3 405.498 3.742 40 0 HHABHN CN(C)CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)n1 ZINC000329069936 568975698 /nfs/dbraw/zinc/97/56/98/568975698.db2.gz ZBMFKPLEKHEPBL-UHFFFAOYSA-N 0 3 421.467 3.789 40 0 HHABHN Cc1c(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)sc2[nH]cnc(=O)c12 ZINC000257198916 569058909 /nfs/dbraw/zinc/05/89/09/569058909.db2.gz LPPMVEHGZWXTBA-ZMMAXQRCSA-N 0 3 424.570 3.741 40 0 HHABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cccc(C)c4)[C@H](C)C3)ccc21 ZINC000253601308 569318390 /nfs/dbraw/zinc/31/83/90/569318390.db2.gz OWRKYZZCMGGWSI-CLOONOSVSA-N 0 3 407.558 3.538 40 0 HHABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000019549660 569345662 /nfs/dbraw/zinc/34/56/62/569345662.db2.gz TVBPJBMXYGMPJD-XKDCRVNJSA-N 0 3 401.478 3.581 40 0 HHABHN CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(Cc2cc3cccc(OC)c3o2)C1 ZINC000019739136 569348620 /nfs/dbraw/zinc/34/86/20/569348620.db2.gz MUXLQQOMFKUYFN-HSZRJFAPSA-N 0 3 411.502 3.734 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)c1 ZINC000011666523 569398810 /nfs/dbraw/zinc/39/88/10/569398810.db2.gz WTVQUSKAZVHUDT-FSSWDIPSSA-N 0 3 418.424 3.885 40 0 HHABHN CC1=C[C@@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C ZINC000030880325 291249014 /nfs/dbraw/zinc/24/90/14/291249014.db2.gz GJIRBPZTNGYZIV-ONTIZHBOSA-N 0 3 414.594 3.731 40 0 biogenic,in-vitro HHABHN CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCN(CCOC)CC3)C=C2C)o1 ZINC000035442709 291249651 /nfs/dbraw/zinc/24/96/51/291249651.db2.gz JUWSUUZIQZQMKE-FKBYEOEOSA-N 0 3 418.626 3.683 40 0 biogenic,in-vitro HHABHN COCCOc1ccc(-c2noc([C@@H]3CCCN3CCCc3ccccc3)n2)cn1 ZINC000049155166 291251519 /nfs/dbraw/zinc/25/15/19/291251519.db2.gz QMJVFFOEHQGXMV-FQEVSTJZSA-N 0 3 408.502 3.927 40 0 biogenic,in-vitro HHABHN COc1cccc(CNC[C@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)c1 ZINC000077262893 291255657 /nfs/dbraw/zinc/25/56/57/291255657.db2.gz PEDOIBZNWKJBDN-WPFOTENUSA-N 0 3 408.498 3.591 40 0 biogenic,in-vitro HHABHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(Br)c3)cc2)CC1 ZINC000006517645 132311427 /nfs/dbraw/zinc/31/14/27/132311427.db2.gz BCGGIQXPSITTFK-UHFFFAOYSA-N 0 3 418.335 3.852 40 0 HHABHN CCN(CC)[C@H](CNC(=O)C12C[C@H]3C[C@H](CC(NC(C)=O)(C3)C1)C2)c1ccsc1 ZINC000031988534 520860054 /nfs/dbraw/zinc/86/00/54/520860054.db2.gz VKIJUZANMBVFMC-VJIWPOLMSA-N 0 3 417.619 3.722 40 0 HHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000006517666 557706213 /nfs/dbraw/zinc/70/62/13/557706213.db2.gz PDPBANIRVZGYQA-UHFFFAOYSA-N 0 3 408.527 3.702 40 0 HHABHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccccc1 ZINC000011582391 558264353 /nfs/dbraw/zinc/26/43/53/558264353.db2.gz URMJABIZXOISIF-AABGKKOBSA-N 0 3 405.841 3.786 40 0 HHABHN CN(C)CCOc1ccccc1NC(=O)[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000019748011 558267118 /nfs/dbraw/zinc/26/71/18/558267118.db2.gz YXOQESBADNPTAU-OAHLLOKOSA-N 0 3 422.451 3.506 40 0 HHABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000012185779 558345229 /nfs/dbraw/zinc/34/52/29/558345229.db2.gz QGEBPGWUHATCBW-GOSISDBHSA-N 0 3 420.561 3.947 40 0 HHABHN Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000012329206 558384020 /nfs/dbraw/zinc/38/40/20/558384020.db2.gz SFQVDQSCFWJEJT-LEWJYISDSA-N 0 3 410.489 4.000 40 0 HHABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c1 ZINC000012330060 558384909 /nfs/dbraw/zinc/38/49/09/558384909.db2.gz DYLPIXXLTYEVHB-PMACEKPBSA-N 0 3 403.906 3.733 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OCC)cc1 ZINC000020634769 558395446 /nfs/dbraw/zinc/39/54/46/558395446.db2.gz XVNYZWVIEPXJFF-HXUWFJFHSA-N 0 3 422.481 3.914 40 0 HHABHN COc1ccc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1OC ZINC000039749414 558687010 /nfs/dbraw/zinc/68/70/10/558687010.db2.gz QPTBEJBDUOPLDV-UHFFFAOYSA-N 0 3 412.530 3.549 40 0 HHABHN Cc1cc2c(cc1CN1CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC1)OCO2 ZINC000019125545 558844638 /nfs/dbraw/zinc/84/46/38/558844638.db2.gz ONJCOWQTOUCECR-UHFFFAOYSA-N 0 3 419.407 3.560 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@@H]3C2=O)c1 ZINC000013810803 558884458 /nfs/dbraw/zinc/88/44/58/558884458.db2.gz VVZSTPFSPDKUIM-FKBYEOEOSA-N 0 3 418.424 3.885 40 0 HHABHN CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019499844 558897781 /nfs/dbraw/zinc/89/77/81/558897781.db2.gz IGIJKYZXMNJXEO-OXQOHEQNSA-N 0 3 400.567 3.830 40 0 HHABHN CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019499844 558897783 /nfs/dbraw/zinc/89/77/83/558897783.db2.gz IGIJKYZXMNJXEO-OXQOHEQNSA-N 0 3 400.567 3.830 40 0 HHABHN CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019499844 558897785 /nfs/dbraw/zinc/89/77/85/558897785.db2.gz IGIJKYZXMNJXEO-OXQOHEQNSA-N 0 3 400.567 3.830 40 0 HHABHN CCCOc1cc2c(cc1CN1C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C1)OCO2 ZINC000019503842 558900780 /nfs/dbraw/zinc/90/07/80/558900780.db2.gz WJWHPVCCZRMHGK-YIGJPRQDSA-N 0 3 410.514 3.637 40 0 HHABHN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1CN1CCCCCC1 ZINC000019578590 558934193 /nfs/dbraw/zinc/93/41/93/558934193.db2.gz FBTVUDDANQEMLC-UHFFFAOYSA-N 0 3 406.534 3.688 40 0 HHABHN Cc1oc2ccccc2c1CN1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000072338936 558938361 /nfs/dbraw/zinc/93/83/61/558938361.db2.gz BEQRARMBQOPTNR-JOCHJYFZSA-N 0 3 411.527 3.683 40 0 HHABHN C[C@H](CN1CCN(c2c(F)cccc2[C@@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000072340570 558939268 /nfs/dbraw/zinc/93/92/68/558939268.db2.gz LYYGHRWBSCRPAV-WZONZLPQSA-N 0 3 408.521 3.567 40 0 HHABHN COc1cccc(-c2cccc(C[C@H]3CN(Cc4cccnc4)CCN(C)C3=O)c2)c1 ZINC000019589528 558940354 /nfs/dbraw/zinc/94/03/54/558940354.db2.gz KJMKAEMRRGUZGW-DEOSSOPVSA-N 0 3 415.537 3.890 40 0 HHABHN COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 ZINC000072350400 558947471 /nfs/dbraw/zinc/94/74/71/558947471.db2.gz ORALVAHBQPZTEB-NRFANRHFSA-N 0 3 407.558 3.729 40 0 HHABHN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCN(C)C ZINC000072370675 558957242 /nfs/dbraw/zinc/95/72/42/558957242.db2.gz HPOITBZIODGPBL-QGZVFWFLSA-N 0 3 401.576 3.526 40 0 HHABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(N[C@H](C)c3ccc(C)c(C)c3)c2C1 ZINC000072372289 558959479 /nfs/dbraw/zinc/95/94/79/558959479.db2.gz YJEVSNSTUBBMBU-GOSISDBHSA-N 0 3 421.589 3.980 40 0 HHABHN COc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(n[nH]c3NC(C)C)n2)cc1 ZINC000072374499 558962108 /nfs/dbraw/zinc/96/21/08/558962108.db2.gz RGPVCQDCWWXTOT-IBGZPJMESA-N 0 3 408.506 3.562 40 0 HHABHN CCn1cc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cn1 ZINC000019694182 558962492 /nfs/dbraw/zinc/96/24/92/558962492.db2.gz RMAUSSNIWSGQKT-IBGZPJMESA-N 0 3 408.525 3.945 40 0 HHABHN O=C(Nc1ccc([C@H]2CCc3nncn3C2)cc1)c1ccccc1CN1CCCC1 ZINC000019699154 558966572 /nfs/dbraw/zinc/96/65/72/558966572.db2.gz AZVFNWQYCNVXOM-IBGZPJMESA-N 0 3 401.514 3.856 40 0 HHABHN COc1cccc(OC)c1C(=O)N1CCCC[C@H]2CN(Cc3ccncc3C)C[C@H]21 ZINC000072398828 558976477 /nfs/dbraw/zinc/97/64/77/558976477.db2.gz RCPJRWOEEOBVNX-VQTJNVASSA-N 0 3 409.530 3.534 40 0 HHABHN CCN1CCN(CCC(=O)NCC2(c3ccc(-c4ccccc4OC)cc3)CC2)CC1 ZINC000585169109 559067866 /nfs/dbraw/zinc/06/78/66/559067866.db2.gz OQLYBHCOCCBKOT-UHFFFAOYSA-N 0 3 421.585 3.538 40 0 HHABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)o1 ZINC000096052806 559092537 /nfs/dbraw/zinc/09/25/37/559092537.db2.gz IXBOVYWEGFQYAN-HXUWFJFHSA-N 0 3 408.542 3.858 40 0 HHABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1ccc(OC)cc1)CCC2 ZINC000096056034 559093727 /nfs/dbraw/zinc/09/37/27/559093727.db2.gz DBQUOIRAXIHRQC-URXFXBBRSA-N 0 3 412.530 3.566 40 0 HHABHN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000096061355 559094057 /nfs/dbraw/zinc/09/40/57/559094057.db2.gz SUNSOFCKUXHCLR-HSZRJFAPSA-N 0 3 408.542 3.692 40 0 HHABHN O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(OCCCn3cccn3)c2)C1 ZINC000585272882 559117121 /nfs/dbraw/zinc/11/71/21/559117121.db2.gz KDXYGZVSLGMWDX-VWLOTQADSA-N 0 3 421.541 3.758 40 0 HHABHN COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000880603 560539667 /nfs/dbraw/zinc/53/96/67/560539667.db2.gz HPQJDPYQLDHWBG-UHFFFAOYSA-N 0 3 424.570 3.606 40 0 HHABHN COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000880581 560539689 /nfs/dbraw/zinc/53/96/89/560539689.db2.gz GVFLRBPJRDREDY-UHFFFAOYSA-N 0 3 424.570 3.606 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)c1 ZINC000101229111 568502138 /nfs/dbraw/zinc/50/21/38/568502138.db2.gz VVZSTPFSPDKUIM-FSSWDIPSSA-N 0 3 418.424 3.885 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)c1 ZINC000101229118 568502144 /nfs/dbraw/zinc/50/21/44/568502144.db2.gz VVZSTPFSPDKUIM-VSKRKVRLSA-N 0 3 418.424 3.885 40 0 HHABHN Cc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599529 568520005 /nfs/dbraw/zinc/52/00/05/568520005.db2.gz ZAQNYSTUALQUMO-IBGZPJMESA-N 0 3 408.477 3.713 40 0 HHABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1Cc1ccccn1 ZINC000223526105 568550941 /nfs/dbraw/zinc/55/09/41/568550941.db2.gz JMMSNTZUDIXRJQ-YADHBBJMSA-N 0 3 412.522 3.835 40 0 HHABHN O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225695931 568665371 /nfs/dbraw/zinc/66/53/71/568665371.db2.gz ZTJABCVKLRSNRQ-NRFANRHFSA-N 0 3 410.533 3.902 40 0 HHABHN O=C(Nc1cc(CCC2CCN(Cc3cccnc3)CC2)ccn1)c1ccccn1 ZINC000257229884 568784910 /nfs/dbraw/zinc/78/49/10/568784910.db2.gz FZWDCZQTUMCRCW-UHFFFAOYSA-N 0 3 401.514 3.969 40 0 HHABHN CN(C(=O)C1(Cc2ccc(-c3ccccn3)cc2)CCOCC1)C1CCN(C)CC1 ZINC000257329345 568812833 /nfs/dbraw/zinc/81/28/33/568812833.db2.gz XJMCQWICEPXYQE-UHFFFAOYSA-N 0 3 407.558 3.641 40 0 HHABHN CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(Cc4ccccn4)C3)ccc2c1N ZINC000257341614 568816586 /nfs/dbraw/zinc/81/65/86/568816586.db2.gz ZLBQIRTZCRAIGG-JOCHJYFZSA-N 0 3 409.559 3.529 40 0 HHABHN CC(C)n1cnc([C@H]2CN(Cc3ccccc3F)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306131376 568893728 /nfs/dbraw/zinc/89/37/28/568893728.db2.gz KCUFCLVHQPOPAK-YKSBVNFPSA-N 0 3 410.537 3.831 40 0 HHABHN Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329013998 568972527 /nfs/dbraw/zinc/97/25/27/568972527.db2.gz MTIKVFJBWDRHDD-QGZVFWFLSA-N 0 3 410.440 3.675 40 0 HHABHN Cn1cc(CN2CCC(Cc3ccc(-c4ccccc4F)cc3)(C(N)=O)CC2)cn1 ZINC000019700506 569347189 /nfs/dbraw/zinc/34/71/89/569347189.db2.gz VBMINVFSPCYQGY-UHFFFAOYSA-N 0 3 406.505 3.536 40 0 HHABHN CC1=C[C@@H](CNC(=O)NC2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C ZINC000030880312 291248735 /nfs/dbraw/zinc/24/87/35/291248735.db2.gz UQVYFJVJUWEYSR-ONTIZHBOSA-N 0 3 420.642 3.541 40 0 biogenic,in-vitro HHABHN Cc1ccc2nc(C)c(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)c(=O)n2c1 ZINC000000537997 557018421 /nfs/dbraw/zinc/01/84/21/557018421.db2.gz AXQRPYKSPHUOGZ-UHFFFAOYSA-N 0 3 407.489 3.588 40 0 investigational HHABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000100191855 557144954 /nfs/dbraw/zinc/14/49/54/557144954.db2.gz QKCWRQZHQLQNEA-NJYVYQBISA-N 0 3 404.422 3.729 40 0 HHABHN O=C(CCCN1CCC2(CC1)OC(=O)N(c1ccc(F)cc1)C2=O)c1ccccc1 ZINC000001669001 557279738 /nfs/dbraw/zinc/27/97/38/557279738.db2.gz RUDMAZOYBCONRK-UHFFFAOYSA-N 0 3 410.445 3.807 40 0 HHABHN C[C@](Cc1ccc2c(c1)OCO2)(NCc1ccccc1)C(=O)NCc1ccccc1 ZINC000035461929 557567816 /nfs/dbraw/zinc/56/78/16/557567816.db2.gz PZMNBZVYCGDJGD-RUZDIDTESA-N 0 3 402.494 3.823 40 0 HHABHN COc1ccc(CCN(C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)cc1OC ZINC000035262655 557657601 /nfs/dbraw/zinc/65/76/01/557657601.db2.gz MKHWKJZDCVYFJF-NJDAHSKKSA-N 0 3 403.563 3.548 40 0 HHABHN COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN(CC5CC5)C4)nc32)c1 ZINC000019741423 558262052 /nfs/dbraw/zinc/26/20/52/558262052.db2.gz LQRHSMRMYMAHJW-FQEVSTJZSA-N 0 3 420.557 3.862 40 0 HHABHN COc1ccc(CN2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cc1 ZINC000019741477 558262058 /nfs/dbraw/zinc/26/20/58/558262058.db2.gz ARAYZCKCSXBHNE-HXUWFJFHSA-N 0 3 420.557 3.862 40 0 HHABHN COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(CC(C)(C)C)C3)nc2C)c1 ZINC000019763426 558277431 /nfs/dbraw/zinc/27/74/31/558277431.db2.gz LVJMJOWVIONDIU-LJQANCHMSA-N 0 3 410.562 3.949 40 0 HHABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccccc1Cl ZINC000019819156 558289343 /nfs/dbraw/zinc/28/93/43/558289343.db2.gz MEKNAFOAPWDGKT-OAHLLOKOSA-N 0 3 416.836 3.918 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3cc(C)sc3C)CC1)C[C@H]2O ZINC000012241598 558360360 /nfs/dbraw/zinc/36/03/60/558360360.db2.gz PFTZKXRLFBVXKN-UXHICEINSA-N 0 3 403.544 3.758 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3cn(C)c4ccccc34)CC1)C[C@@H]2O ZINC000012293217 558366212 /nfs/dbraw/zinc/36/62/12/558366212.db2.gz LDRJKFZBZHDVFR-XZOQPEGZSA-N 0 3 422.525 3.571 40 0 HHABHN CCn1cc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c2ccccc21 ZINC000012293288 558366414 /nfs/dbraw/zinc/36/64/14/558366414.db2.gz JFUABABIVMGFJS-XZOQPEGZSA-N 0 3 422.525 3.751 40 0 HHABHN Cn1cc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)c2ccccc21 ZINC000012329146 558383847 /nfs/dbraw/zinc/38/38/47/558383847.db2.gz QOLZAFMGBZCIHW-FGZHOGPDSA-N 0 3 410.489 3.702 40 0 HHABHN Cc1cc(Br)c2c(c1)C(=O)C(CN1CCCC1)(CN1CCCC1)CO2 ZINC000033897121 558772094 /nfs/dbraw/zinc/77/20/94/558772094.db2.gz DXIMJCIQTZJNBI-UHFFFAOYSA-N 0 3 407.352 3.511 40 0 HHABHN CN1CCC(N(C[C@@H]2CCCO2)C(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000019082404 558840181 /nfs/dbraw/zinc/84/01/81/558840181.db2.gz SWUKBEDKZRBBQR-WMZOPIPTSA-N 0 3 403.567 3.541 40 0 HHABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccccc1OCc1cccnc1)C2 ZINC000019291417 558863925 /nfs/dbraw/zinc/86/39/25/558863925.db2.gz RJHGTXJRLJEKCM-OFFJZUQKSA-N 0 3 418.541 3.514 40 0 HHABHN CCN(CC)c1ncc2c(cc(C3CCN(Cc4cccc(C)n4)CC3)[nH]c2=O)n1 ZINC000019526557 558907834 /nfs/dbraw/zinc/90/78/34/558907834.db2.gz YIGIWQCGOYGEAQ-UHFFFAOYSA-N 0 3 406.534 3.660 40 0 HHABHN CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccnc2)C1 ZINC000019529172 558910799 /nfs/dbraw/zinc/91/07/99/558910799.db2.gz PRKNGJUCDIYREH-RUZDIDTESA-N 0 3 400.526 3.715 40 0 HHABHN COc1cc2c(cc1CN1C[C@@H](c3cccnc3)[C@]3(C1)CCCCC(=O)N3)CCCC2 ZINC000019550621 558915223 /nfs/dbraw/zinc/91/52/23/558915223.db2.gz LQNWQXKESHMPPZ-JYFHCDHNSA-N 0 3 419.569 3.997 40 0 HHABHN COc1ccc(CN2CCC([C@H](NC(=O)c3ccccn3)c3ccccn3)CC2)cc1 ZINC000019554973 558917971 /nfs/dbraw/zinc/91/79/71/558917971.db2.gz YBDGEJHAFQGZOX-DEOSSOPVSA-N 0 3 416.525 3.869 40 0 HHABHN Cc1nc(C2CCN(CC3=Cc4ccccc4OC3)CC2)nc(N2CCOCC2)c1C ZINC000019555301 558918230 /nfs/dbraw/zinc/91/82/30/558918230.db2.gz DTQYXSHGGIKXGX-UHFFFAOYSA-N 0 3 420.557 3.585 40 0 HHABHN Cc1noc(C)c1Cc1ccc(C(=O)N(Cc2cccnc2)C2CCN(C)CC2)o1 ZINC000019581024 558936664 /nfs/dbraw/zinc/93/66/64/558936664.db2.gz SQAITAPEYLLWQQ-UHFFFAOYSA-N 0 3 408.502 3.607 40 0 HHABHN CN(C)CCNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 ZINC000019582883 558937587 /nfs/dbraw/zinc/93/75/87/558937587.db2.gz MPHOBAINRBQEPN-UHFFFAOYSA-N 0 3 402.485 3.649 40 0 HHABHN CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccncc2)CC1 ZINC000072345160 558941674 /nfs/dbraw/zinc/94/16/74/558941674.db2.gz KALWJBGQESKYJN-UHFFFAOYSA-N 0 3 400.526 3.715 40 0 HHABHN COc1ccc(CN(C(=O)Cc2ccc3nc(N)sc3c2)C2CCN(C)CC2)cc1 ZINC000019654811 558948258 /nfs/dbraw/zinc/94/82/58/558948258.db2.gz XRASAPROKTXIRK-UHFFFAOYSA-N 0 3 424.570 3.553 40 0 HHABHN COc1cc(C)ccc1CN1CC[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000072352274 558948546 /nfs/dbraw/zinc/94/85/46/558948546.db2.gz RBPNYYWIGWMTDD-SFHVURJKSA-N 0 3 424.566 3.930 40 0 HHABHN Cc1nccn1C[C@@H]1CCCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658111 558949990 /nfs/dbraw/zinc/94/99/90/558949990.db2.gz AEKPHHNYPVFFGY-LJQANCHMSA-N 0 3 405.502 3.730 40 0 HHABHN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1CN1CCCC1 ZINC000019662416 558953417 /nfs/dbraw/zinc/95/34/17/558953417.db2.gz XBVKNJPXAIEKKJ-UHFFFAOYSA-N 0 3 400.906 3.680 40 0 HHABHN CC(=O)n1cc(CN2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072361017 558955769 /nfs/dbraw/zinc/95/57/69/558955769.db2.gz VJAYFFIJKIDZRP-OAHLLOKOSA-N 0 3 418.522 4.000 40 0 HHABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1cccnc1N(C)C ZINC000072370314 558956865 /nfs/dbraw/zinc/95/68/65/558956865.db2.gz ZKXNQXKSIKYVLJ-QGZVFWFLSA-N 0 3 408.571 3.929 40 0 HHABHN COc1ccc(CN2CCC([C@H]3CCCCN(C)C3=O)CC2)cc1Cn1ccnc1C ZINC000072372048 558959513 /nfs/dbraw/zinc/95/95/13/558959513.db2.gz ZHHJIJUBXCAKLS-HSZRJFAPSA-N 0 3 424.589 3.719 40 0 HHABHN Cc1c(CN2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)cnn1C ZINC000019695139 558963747 /nfs/dbraw/zinc/96/37/47/558963747.db2.gz YNHBKQIXKXZXKA-UHFFFAOYSA-N 0 3 408.525 3.770 40 0 HHABHN CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393083 558972773 /nfs/dbraw/zinc/97/27/73/558972773.db2.gz OYWOELBBDPNZCE-LJQANCHMSA-N 0 3 420.513 3.619 40 0 HHABHN CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393083 558972775 /nfs/dbraw/zinc/97/27/75/558972775.db2.gz OYWOELBBDPNZCE-LJQANCHMSA-N 0 3 420.513 3.619 40 0 HHABHN Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(Cc4cccnc4)C3)on2)cc1 ZINC000072395953 558975046 /nfs/dbraw/zinc/97/50/46/558975046.db2.gz FJZLDUUKIFTLPO-VWLOTQADSA-N 0 3 418.541 3.958 40 0 HHABHN Cc1nn(C)cc1-c1cc(C(=O)NC(C)(C)CN2CCCCC2)c2ccccc2n1 ZINC000019716522 558978492 /nfs/dbraw/zinc/97/84/92/558978492.db2.gz PSLZXZLZPBUMSO-UHFFFAOYSA-N 0 3 405.546 3.938 40 0 HHABHN CN(C)c1ccc(C(=O)N2CCC[C@]3(CCN3C[C@H]3CCCO3)C2)c2ccccc21 ZINC000585101943 559025117 /nfs/dbraw/zinc/02/51/17/559025117.db2.gz NBHQEGVWMSRCNP-CLOONOSVSA-N 0 3 407.558 3.765 40 0 HHABHN COCCN(C)c1nc(C2CCN(Cc3ccc(C)s3)CC2)cc2c1ncn2C ZINC000096099962 559095199 /nfs/dbraw/zinc/09/51/99/559095199.db2.gz BBERDLSNUMBALZ-UHFFFAOYSA-N 0 3 413.591 3.800 40 0 HHABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000585262496 559111003 /nfs/dbraw/zinc/11/10/03/559111003.db2.gz GQAFRSVQNJLYOZ-NRFANRHFSA-N 0 3 408.498 3.541 40 0 HHABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282368 559119989 /nfs/dbraw/zinc/11/99/89/559119989.db2.gz IJMLLWQHDZRLPH-XMMPIXPASA-N 0 3 402.579 3.546 40 0 HHABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287218 559122185 /nfs/dbraw/zinc/12/21/85/559122185.db2.gz LBANCGBQMQQYJQ-DEOSSOPVSA-N 0 3 402.579 3.546 40 0 HHABHN CC(=O)N1CCN([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585287872 559123147 /nfs/dbraw/zinc/12/31/47/559123147.db2.gz UELUQDVYKZBEHR-TZBSWOFLSA-N 0 3 416.606 3.874 40 0 HHABHN COc1cc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc(OC)c1OC ZINC000585290634 559123248 /nfs/dbraw/zinc/12/32/48/559123248.db2.gz YVWXOQCGFNLWCY-WAOWUJCRSA-N 0 3 421.921 3.816 40 0 HHABHN COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000100517714 559136107 /nfs/dbraw/zinc/13/61/07/559136107.db2.gz JYJQMKATQMDTHU-VSKRKVRLSA-N 0 3 400.434 3.746 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000100517714 559136108 /nfs/dbraw/zinc/13/61/08/559136108.db2.gz JYJQMKATQMDTHU-VSKRKVRLSA-N 0 3 400.434 3.746 40 0 HHABHN O=C(Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072353558 559185732 /nfs/dbraw/zinc/18/57/32/559185732.db2.gz WSZNGJWYPIGWKY-QHCPKHFHSA-N 0 3 417.528 3.967 40 0 HHABHN COc1ccccc1-c1cccc(CC2(C(=O)NCCN3CCCC3)CCOCC2)c1 ZINC000257274180 559285243 /nfs/dbraw/zinc/28/52/43/559285243.db2.gz NJWNZPNGDFRCKB-UHFFFAOYSA-N 0 3 422.569 3.914 40 0 HHABHN CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C3CCC(F)(F)CC3)C[C@H]21 ZINC000514289236 560033109 /nfs/dbraw/zinc/03/31/09/560033109.db2.gz GNIPNDDFRALIAC-CTNGQTDRSA-N 0 3 413.468 3.844 40 0 biogenic,in-vitro HHABHN COc1ccc(CCNCC(=O)Nc2ccccc2N2CCCCCC2)cc1OC ZINC000004895898 560611178 /nfs/dbraw/zinc/61/11/78/560611178.db2.gz ALEMLUNYYFRMIJ-UHFFFAOYSA-N 0 3 411.546 3.855 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102005378 560852306 /nfs/dbraw/zinc/85/23/06/560852306.db2.gz TVDUNKYDUZOHKX-UFYCRDLUSA-N 0 3 405.841 3.786 40 0 HHABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CN[C@@H](C)[C@H](O)c3ccccc3)o2)c1 ZINC000022108587 568475326 /nfs/dbraw/zinc/47/53/26/568475326.db2.gz WVEWBMQVSGHADS-NYHFZMIOSA-N 0 3 423.465 3.732 40 0 HHABHN COc1cccc(CN2CCC3(CC2)Nc2ccc(OC)nc2-n2c(C)ncc23)c1 ZINC000306126241 568888801 /nfs/dbraw/zinc/88/88/01/568888801.db2.gz DQONEELSEXMCRA-UHFFFAOYSA-N 0 3 405.502 3.510 40 0 HHABHN CCNC(=O)c1ccc2n1-c1ncccc1NC21CCN(Cc2ccccc2C)CC1 ZINC000306126116 568888870 /nfs/dbraw/zinc/88/88/70/568888870.db2.gz DNIKMPAJLRBPMA-UHFFFAOYSA-N 0 3 415.541 3.847 40 0 HHABHN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306131328 568893531 /nfs/dbraw/zinc/89/35/31/568893531.db2.gz KCAHHJJLPOIXNZ-VWNXMTODSA-N 0 3 419.550 3.540 40 0 HHABHN COc1ccc(CN2CCC(n3cnc4ncc(-c5ccc(F)nc5)nc43)CC2)cc1 ZINC000306135498 568897532 /nfs/dbraw/zinc/89/75/32/568897532.db2.gz OTBPOTCLCOOFFL-UHFFFAOYSA-N 0 3 418.476 3.873 40 0 HHABHN Fc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306143362 568904917 /nfs/dbraw/zinc/90/49/17/568904917.db2.gz YAEMZNQHDNWWFF-QHCPKHFHSA-N 0 3 407.445 3.593 40 0 HHABHN CC(C)c1nc(NCCN(C)C)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329043047 568974383 /nfs/dbraw/zinc/97/43/83/568974383.db2.gz SQEJRPGQQAGEIX-UHFFFAOYSA-N 0 3 418.383 3.899 40 0 HHABHN COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cc(C)ccc2OC)C1 ZINC000247946397 569315855 /nfs/dbraw/zinc/31/58/55/569315855.db2.gz WRCBTIFPQOLMCF-NTKDMRAZSA-N 0 3 411.546 3.505 40 0 HHABHN O=C(CN1CC[C@H](c2cc(COc3ccccc3F)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000019738944 569348653 /nfs/dbraw/zinc/34/86/53/569348653.db2.gz LZOXLVYCUZJGJC-HNNXBMFYSA-N 0 3 412.440 3.695 40 0 HHABHN CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3ccc(CO)o3)C2)cc1 ZINC000020503253 575369864 /nfs/dbraw/zinc/36/98/64/575369864.db2.gz NWEQZCQCMXJXFM-FUHWJXTLSA-N 0 3 422.550 3.942 40 0 biogenic,in-vitro HHABHN CC(=O)Nc1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 ZINC000096296360 291247389 /nfs/dbraw/zinc/24/73/89/291247389.db2.gz XPALHBRDHQSRCG-FQEVSTJZSA-N 0 3 410.905 3.851 40 0 biogenic,in-vitro HHABHN O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298326 291259226 /nfs/dbraw/zinc/25/92/26/291259226.db2.gz GVJQUGKOTMFGIV-PMOQBDJRSA-N 0 3 407.562 3.750 40 0 biogenic,in-vitro HHABHN Cc1nc(CC2CCN(Cc3cccnc3N(C)C)CC2)cc(N2CCCCC2)n1 ZINC000019758947 558275460 /nfs/dbraw/zinc/27/54/60/558275460.db2.gz OUPJEQZUHDUJMO-UHFFFAOYSA-N 0 3 408.594 3.691 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)C[C@H]2O ZINC000012330164 558385110 /nfs/dbraw/zinc/38/51/10/558385110.db2.gz SIHJWSCPLWQSJJ-PKTZIBPZSA-N 0 3 409.526 3.568 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)C[C@@H]2O ZINC000012330155 558385187 /nfs/dbraw/zinc/38/51/87/558385187.db2.gz SIHJWSCPLWQSJJ-XZOQPEGZSA-N 0 3 409.526 3.568 40 0 HHABHN O=C(CCN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1)c1ccccc1 ZINC000012407923 558398957 /nfs/dbraw/zinc/39/89/57/558398957.db2.gz YEQGGDDAPBLMOK-FUHWJXTLSA-N 0 3 407.440 3.551 40 0 HHABHN Cc1ccc([C@H](CNC(=O)Cn2c(=O)oc3ccc(Cl)cc32)N2CCCC2)cc1 ZINC000035317049 558790014 /nfs/dbraw/zinc/79/00/14/558790014.db2.gz GAECZJSMNIOTLY-IBGZPJMESA-N 0 3 413.905 3.510 40 0 HHABHN CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019081352 558839626 /nfs/dbraw/zinc/83/96/26/558839626.db2.gz ZWRJTHSCOANGQM-IBGZPJMESA-N 0 3 400.567 3.830 40 0 HHABHN CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019081352 558839627 /nfs/dbraw/zinc/83/96/27/558839627.db2.gz ZWRJTHSCOANGQM-IBGZPJMESA-N 0 3 400.567 3.830 40 0 HHABHN CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019081352 558839629 /nfs/dbraw/zinc/83/96/29/558839629.db2.gz ZWRJTHSCOANGQM-IBGZPJMESA-N 0 3 400.567 3.830 40 0 HHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3c[nH]c4ccc(C)cc43)CC1)O2 ZINC000019220548 558851859 /nfs/dbraw/zinc/85/18/59/558851859.db2.gz CKAVJTDNQINBCN-PKTZIBPZSA-N 0 3 422.525 3.869 40 0 HHABHN COc1cc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)cc(OC)c1 ZINC000019285531 558859861 /nfs/dbraw/zinc/85/98/61/558859861.db2.gz ZSYCEYYPXOXRKL-LEWJYISDSA-N 0 3 423.488 3.618 40 0 HHABHN COc1cc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)cc(OC)c1 ZINC000019285531 558859863 /nfs/dbraw/zinc/85/98/63/558859863.db2.gz ZSYCEYYPXOXRKL-LEWJYISDSA-N 0 3 423.488 3.618 40 0 HHABHN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000019290184 558862714 /nfs/dbraw/zinc/86/27/14/558862714.db2.gz ZOFPZJCOXIQNKC-QGZVFWFLSA-N 0 3 408.575 3.918 40 0 HHABHN Fc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019348981 558874830 /nfs/dbraw/zinc/87/48/30/558874830.db2.gz JMAYYGNIOFBQGT-GOSISDBHSA-N 0 3 406.509 3.986 40 0 HHABHN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(Cc1ccccn1)CC3)c1cccn1-2 ZINC000072327209 558933867 /nfs/dbraw/zinc/93/38/67/558933867.db2.gz IYGFEIVJHTYRFB-VWLOTQADSA-N 0 3 416.525 3.957 40 0 HHABHN C[C@H](CN1CCN(c2c(F)cccc2[C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000072340568 558939296 /nfs/dbraw/zinc/93/92/96/558939296.db2.gz LYYGHRWBSCRPAV-JPYJTQIMSA-N 0 3 408.521 3.567 40 0 HHABHN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cccnc2)C1 ZINC000019591337 558941683 /nfs/dbraw/zinc/94/16/83/558941683.db2.gz MYWZHWPCYPOCGG-VWLOTQADSA-N 0 3 400.526 3.715 40 0 HHABHN CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccccc2F)C1 ZINC000019591309 558941721 /nfs/dbraw/zinc/94/17/21/558941721.db2.gz WZFKZVAPNWVTBB-VWLOTQADSA-N 0 3 418.516 3.854 40 0 HHABHN CNc1cc([C@@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)nc(-c2cccnc2)n1 ZINC000019592201 558943127 /nfs/dbraw/zinc/94/31/27/558943127.db2.gz VAQDGDJHDVXZJT-LJQANCHMSA-N 0 3 419.529 3.977 40 0 HHABHN O=C(c1sc2ccccc2c1[C@H]1CCN(Cc2ccncc2)C1)N1CCOCC1 ZINC000072356008 558952773 /nfs/dbraw/zinc/95/27/73/558952773.db2.gz BKSBNNTYUGSTKF-SFHVURJKSA-N 0 3 407.539 3.758 40 0 HHABHN CCN(CC)CC(=O)N1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370398 558956794 /nfs/dbraw/zinc/95/67/94/558956794.db2.gz YMPWHLDTJOMGDH-INIZCTEOSA-N 0 3 401.576 3.526 40 0 HHABHN COc1ccc(CN2CCC([C@@H]3CCCCN(C)C3=O)CC2)cc1Cn1ccnc1C ZINC000072372047 558959501 /nfs/dbraw/zinc/95/95/01/558959501.db2.gz ZHHJIJUBXCAKLS-QHCPKHFHSA-N 0 3 424.589 3.719 40 0 HHABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC(F)F ZINC000072392534 558972135 /nfs/dbraw/zinc/97/21/35/558972135.db2.gz PGXOOLJRVHTWHZ-JKSBSHDWSA-N 0 3 404.457 3.730 40 0 HHABHN COc1ccc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4ccncc4)n3)CC2)cc1OC ZINC000072392699 558972480 /nfs/dbraw/zinc/97/24/80/558972480.db2.gz RTNLFOVVWJCUSD-UHFFFAOYSA-N 0 3 406.486 3.641 40 0 HHABHN CCOc1ncc([C@@]2(O)CC[C@@H]3CN(C/C(C)=C/c4ccccc4)C[C@@H]32)c(OCC)n1 ZINC000072395419 558974398 /nfs/dbraw/zinc/97/43/98/558974398.db2.gz DBPZFCWPPDODIW-XVVZMEGUSA-N 0 3 423.557 3.907 40 0 HHABHN Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(Cc4cccnc4)C3)on2)cc1 ZINC000072395952 558975075 /nfs/dbraw/zinc/97/50/75/558975075.db2.gz FJZLDUUKIFTLPO-RUZDIDTESA-N 0 3 418.541 3.958 40 0 HHABHN O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000096245509 559105000 /nfs/dbraw/zinc/10/50/00/559105000.db2.gz PDXXZHKPHCAMDN-RTBURBONSA-N 0 3 403.448 3.623 40 0 HHABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000585270391 559116341 /nfs/dbraw/zinc/11/63/41/559116341.db2.gz VSSARWZZIVUIIC-QFIPXVFZSA-N 0 3 422.525 3.931 40 0 HHABHN Cc1cnn(CCOc2ccc(CN3CCC[C@](O)(COc4ccccc4)C3)cc2)c1 ZINC000585271703 559117535 /nfs/dbraw/zinc/11/75/35/559117535.db2.gz BQSKDVZZPPOMMS-RUZDIDTESA-N 0 3 421.541 3.676 40 0 HHABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287219 559122154 /nfs/dbraw/zinc/12/21/54/559122154.db2.gz LBANCGBQMQQYJQ-XMMPIXPASA-N 0 3 402.579 3.546 40 0 HHABHN Cc1nc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)sc1C ZINC000585292087 559124636 /nfs/dbraw/zinc/12/46/36/559124636.db2.gz JTWCEXDJHZWURM-SYJIQKIWSA-N 0 3 414.579 3.773 40 0 HHABHN O=C(Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072353557 559185751 /nfs/dbraw/zinc/18/57/51/559185751.db2.gz WSZNGJWYPIGWKY-HSZRJFAPSA-N 0 3 417.528 3.967 40 0 HHABHN COc1ccccc1[C@H]1CNCCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257291655 559285718 /nfs/dbraw/zinc/28/57/18/559285718.db2.gz QIAMPRFUQGTJNF-HSZRJFAPSA-N 0 3 415.537 3.547 40 0 HHABHN Cc1ccc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1C ZINC000004231206 560602985 /nfs/dbraw/zinc/60/29/85/560602985.db2.gz MEWRJFKMIWTFSD-UHFFFAOYSA-N 0 3 410.493 3.880 40 0 HHABHN Cc1c(C)n(C[C@H](O)CN(C)Cc2cccc(CN3CCOCC3)c2)c2ccccc12 ZINC000585273170 560741537 /nfs/dbraw/zinc/74/15/37/560741537.db2.gz POJJKSMWKOQYDB-XMMPIXPASA-N 0 3 421.585 3.583 40 0 HHABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(OC(F)(F)F)c1 ZINC000008215679 560753349 /nfs/dbraw/zinc/75/33/49/560753349.db2.gz BSLYNWJLSPJIAB-SFHVURJKSA-N 0 3 417.387 3.531 40 0 HHABHN Fc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019372847 560872646 /nfs/dbraw/zinc/87/26/46/560872646.db2.gz HUUONVRFQOGRIW-QHCPKHFHSA-N 0 3 420.536 3.510 40 0 HHABHN COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1 ZINC000020139036 560880962 /nfs/dbraw/zinc/88/09/62/560880962.db2.gz ZHFOEYOMBYJGED-QHCPKHFHSA-N 0 3 424.593 3.837 40 0 HHABHN COc1cc(CN2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000036739992 568415617 /nfs/dbraw/zinc/41/56/17/568415617.db2.gz TVBPJBMXYGMPJD-QUZZAMIASA-N 0 3 401.478 3.581 40 0 HHABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CN[C@H](C)[C@H](O)c3ccccc3)o2)c1 ZINC000022108592 568475400 /nfs/dbraw/zinc/47/54/00/568475400.db2.gz WVEWBMQVSGHADS-QRQCRPRQSA-N 0 3 423.465 3.732 40 0 HHABHN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222600632 568519973 /nfs/dbraw/zinc/51/99/73/568519973.db2.gz VZXTWXCBYREUJJ-LJQANCHMSA-N 0 3 408.477 3.746 40 0 HHABHN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223260324 568543041 /nfs/dbraw/zinc/54/30/41/568543041.db2.gz VZDXQFVJEKVPQP-FCHUYYIVSA-N 0 3 405.571 3.715 40 0 HHABHN CC(C)n1c(SCCN2CCCC2)nnc1[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000026441151 568549537 /nfs/dbraw/zinc/54/95/37/568549537.db2.gz UCIWSJYQLBTJRC-HXUWFJFHSA-N 0 3 414.623 3.822 40 0 HHABHN COc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c(C)c1 ZINC000224852954 568600468 /nfs/dbraw/zinc/60/04/68/568600468.db2.gz XGTPYCLMFDTNLL-UHFFFAOYSA-N 0 3 402.560 3.776 40 0 HHABHN S=C1NC2(CCN(Cc3ccccc3)CC2)NN1c1ccc(Br)cc1 ZINC000225350012 568630864 /nfs/dbraw/zinc/63/08/64/568630864.db2.gz ZOCUBOXKNKXPRT-UHFFFAOYSA-N 0 3 417.376 3.641 40 0 HHABHN Cc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1N1CCCC1=O ZINC000225744093 568670609 /nfs/dbraw/zinc/67/06/09/568670609.db2.gz HWURJMLMLHQZAA-UHFFFAOYSA-N 0 3 422.598 3.857 40 0 HHABHN O=C(Nc1cc(CCC2CCN(Cc3ccccn3)CC2)ccn1)c1ccccn1 ZINC000257226091 568783736 /nfs/dbraw/zinc/78/37/36/568783736.db2.gz FJCSNXBFEZUIII-UHFFFAOYSA-N 0 3 401.514 3.969 40 0 HHABHN c1ccc(-c2ccc3nnc(C4CCN(Cc5ccc6c(c5)OCO6)CC4)n3n2)cc1 ZINC000306134911 568897062 /nfs/dbraw/zinc/89/70/62/568897062.db2.gz OBKSOAGSBYSELM-UHFFFAOYSA-N 0 3 413.481 3.900 40 0 HHABHN CCOC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611235 568939701 /nfs/dbraw/zinc/93/97/01/568939701.db2.gz COKOVRNILPZULJ-CEXWTWQISA-N 0 3 414.354 3.915 40 0 HHABHN COc1cc(Br)c(C[C@H]2NCCc3cc4c(cc32)OCO4)cc1OC ZINC000002048232 569151621 /nfs/dbraw/zinc/15/16/21/569151621.db2.gz AOQIPBCFAFHMRM-OAHLLOKOSA-N 0 3 406.276 3.625 40 0 HHABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cc(OC)c1OC ZINC000247908447 569315687 /nfs/dbraw/zinc/31/56/87/569315687.db2.gz TVBPJBMXYGMPJD-BTCOZLQPSA-N 0 3 401.478 3.581 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000017996003 569326865 /nfs/dbraw/zinc/32/68/65/569326865.db2.gz CXQYYROFFWGQCQ-UFYCRDLUSA-N 0 3 406.463 3.808 40 0 HHABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000019560932 569345686 /nfs/dbraw/zinc/34/56/86/569345686.db2.gz RTJVJMQQJWTSBM-HYBUGGRVSA-N 0 3 423.557 3.968 40 0 HHABHN Cc1ccc(-c2nnn(CC(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)n2)cc1 ZINC000141560949 569354755 /nfs/dbraw/zinc/35/47/55/569354755.db2.gz SFGHVQCZESJDKI-GOSISDBHSA-N 0 3 404.518 3.662 40 0 HHABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CC2)Cc2cn(Cc3cccnc3)c3cccc1c23 ZINC000049171579 291248084 /nfs/dbraw/zinc/24/80/84/291248084.db2.gz YPJJSTZOFQZQBZ-VXKWHMMOSA-N 0 3 402.542 3.965 40 0 biogenic,in-vitro HHABHN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000044886571 520755048 /nfs/dbraw/zinc/75/50/48/520755048.db2.gz YKIWKEMGXSXWGU-UHFFFAOYSA-N 0 3 415.559 3.764 40 0 HHABHN COc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC ZINC000044851729 523936753 /nfs/dbraw/zinc/93/67/53/523936753.db2.gz WAEAEXDVFYBTCS-HXUWFJFHSA-N 0 3 414.521 3.804 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000004070130 557509472 /nfs/dbraw/zinc/50/94/72/557509472.db2.gz JYJQMKATQMDTHU-BDTNDASRSA-N 0 3 400.434 3.746 40 0 HHABHN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020042601 558326301 /nfs/dbraw/zinc/32/63/01/558326301.db2.gz DPEQWJOZVIEGJD-UHFFFAOYSA-N 0 3 424.497 3.744 40 0 HHABHN COc1ccccc1NC(=O)COc1ccc(/C=C/C2=CCN(C)CC2)cc1OC ZINC000012143035 558335270 /nfs/dbraw/zinc/33/52/70/558335270.db2.gz XEDPIECBXSKTCG-CMDGGOBGSA-N 0 3 408.498 3.996 40 0 HHABHN COCCOc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC ZINC000012329115 558383812 /nfs/dbraw/zinc/38/38/12/558383812.db2.gz YGEOZKVUOZPITN-SVGJNIJCSA-N 0 3 415.505 3.874 40 0 HHABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329391 558383989 /nfs/dbraw/zinc/38/39/89/558383989.db2.gz BTORJSRZHAVUOV-XZOQPEGZSA-N 0 3 424.541 3.646 40 0 HHABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329389 558384040 /nfs/dbraw/zinc/38/40/40/558384040.db2.gz BTORJSRZHAVUOV-GOTSBHOMSA-N 0 3 424.541 3.646 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c[nH]c4cc(C)ccc43)CC1)C[C@H]2O ZINC000012329708 558384550 /nfs/dbraw/zinc/38/45/50/558384550.db2.gz NBQFGPXMSLARDR-PKTZIBPZSA-N 0 3 422.525 3.869 40 0 HHABHN CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000022075697 558462406 /nfs/dbraw/zinc/46/24/06/558462406.db2.gz YRDDRNYGYQFBDH-UHFFFAOYSA-N 0 3 422.928 3.879 40 0 HHABHN Cc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929563 558523400 /nfs/dbraw/zinc/52/34/00/558523400.db2.gz ZISRTCUIUXHOOU-HSZRJFAPSA-N 0 3 420.561 3.663 40 0 HHABHN Cc1c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000038753553 558814009 /nfs/dbraw/zinc/81/40/09/558814009.db2.gz KOFRQWWYRQSPPF-UHFFFAOYSA-N 0 3 418.541 3.969 40 0 HHABHN Cc1cc2c(cc1Br)[C@@H](O)[C@](CN1CCCCC1)(N1CCCCC1)CO2 ZINC000019203063 558847630 /nfs/dbraw/zinc/84/76/30/558847630.db2.gz PRCHEBOJKXRRQR-NHCUHLMSSA-N 0 3 423.395 3.894 40 0 HHABHN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000019290172 558862688 /nfs/dbraw/zinc/86/26/88/558862688.db2.gz WOWMNDKWOMSTID-LJQANCHMSA-N 0 3 420.536 3.996 40 0 HHABHN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000019290168 558862722 /nfs/dbraw/zinc/86/27/22/558862722.db2.gz XJGJKLADMPNRNH-LJQANCHMSA-N 0 3 420.536 3.996 40 0 HHABHN O=C(c1cccnc1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccncc3)CC[C@H]21 ZINC000019337826 558870487 /nfs/dbraw/zinc/87/04/87/558870487.db2.gz ARBBSQZYFPXSLB-WXFUMESZSA-N 0 3 416.500 3.746 40 0 HHABHN CC1CCN(CC(C)(C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)CC1 ZINC000019496896 558895704 /nfs/dbraw/zinc/89/57/04/558895704.db2.gz JHNZGUPINBSJHY-UHFFFAOYSA-N 0 3 403.530 3.932 40 0 HHABHN CC[C@H]1CCCCN1CC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 ZINC000019500942 558898842 /nfs/dbraw/zinc/89/88/42/558898842.db2.gz QNIDJLJFXFDYKC-GBESFXJTSA-N 0 3 423.552 3.685 40 0 HHABHN CCn1ncc(CN2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)c1C ZINC000019523934 558905122 /nfs/dbraw/zinc/90/51/22/558905122.db2.gz FIIQZUPANGCZDG-UHFFFAOYSA-N 0 3 406.456 3.961 40 0 HHABHN CCOc1ncc(C2(O)CCN(Cc3c(C)[nH]c4ccccc43)CC2)c(OCC)n1 ZINC000019531703 558912265 /nfs/dbraw/zinc/91/22/65/558912265.db2.gz CDNYPHUFVCTIAY-UHFFFAOYSA-N 0 3 410.518 3.547 40 0 HHABHN CCOc1ccc(CN2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1OC ZINC000019533868 558913284 /nfs/dbraw/zinc/91/32/84/558913284.db2.gz CJVSQYSCAWKBLP-QGZVFWFLSA-N 0 3 413.547 3.721 40 0 HHABHN COc1ccc(CN2CCCC[C@H]3CN(C(=O)c4cccc(OC)c4OC)C[C@H]32)cc1 ZINC000019555308 558918279 /nfs/dbraw/zinc/91/82/79/558918279.db2.gz PZYIZIHCHOIEDP-SIKLNZKXSA-N 0 3 424.541 3.839 40 0 HHABHN COc1cccc(CN2CCC([C@H](NC(=O)c3ccccn3)c3ccccn3)CC2)c1 ZINC000019564867 558925006 /nfs/dbraw/zinc/92/50/06/558925006.db2.gz UQWQMBLHLJSJPK-DEOSSOPVSA-N 0 3 416.525 3.869 40 0 HHABHN Cc1cc(C[N@H+]2CCC[C@@H](Cn3nnc4c3nc(C(C)C)[n-]c4=O)C2)c(C)s1 ZINC000019567970 558927028 /nfs/dbraw/zinc/92/70/28/558927028.db2.gz GXMPAHLXAHDGOW-OAHLLOKOSA-N 0 3 400.552 3.641 40 0 HHABHN Cc1cc(C[N@@H+]2CCC[C@@H](Cn3nnc4c3nc(C(C)C)[n-]c4=O)C2)c(C)s1 ZINC000019567970 558927029 /nfs/dbraw/zinc/92/70/29/558927029.db2.gz GXMPAHLXAHDGOW-OAHLLOKOSA-N 0 3 400.552 3.641 40 0 HHABHN CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2cccnc2)C1 ZINC000019579601 558935195 /nfs/dbraw/zinc/93/51/95/558935195.db2.gz AMZCLKFWZXAOLH-XMMPIXPASA-N 0 3 404.514 3.650 40 0 HHABHN CN(C)Cc1ccc(CNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)cc1 ZINC000019583579 558938057 /nfs/dbraw/zinc/93/80/57/558938057.db2.gz HVRJCEPSGBETEZ-UHFFFAOYSA-N 0 3 404.514 3.515 40 0 HHABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 ZINC000060016393 558940322 /nfs/dbraw/zinc/94/03/22/558940322.db2.gz OWRKYZZCMGGWSI-DFBJGRDBSA-N 0 3 407.558 3.538 40 0 HHABHN O=C(c1sc2ccccc2c1[C@H]1CCN(Cc2ccccn2)C1)N1CCOCC1 ZINC000072356026 558952706 /nfs/dbraw/zinc/95/27/06/558952706.db2.gz QYDYLWVZIIXXLQ-KRWDZBQOSA-N 0 3 407.539 3.758 40 0 HHABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(N[C@@H](C)c3ccc(C)c(C)c3)c2C1 ZINC000072372290 558959768 /nfs/dbraw/zinc/95/97/68/558959768.db2.gz YJEVSNSTUBBMBU-SFHVURJKSA-N 0 3 421.589 3.980 40 0 HHABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccn1 ZINC000072398631 558976236 /nfs/dbraw/zinc/97/62/36/558976236.db2.gz DAAOFDQYLIZYNN-CVDCTZTESA-N 0 3 404.489 3.999 40 0 HHABHN CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H](N)C(C)C)CC3)n2)s1 ZINC000585263613 559112039 /nfs/dbraw/zinc/11/20/39/559112039.db2.gz UXXUVPBHGPSWRT-SFHVURJKSA-N 0 3 416.595 3.627 40 0 HHABHN Cc1ccc(OCC2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000585270534 559116346 /nfs/dbraw/zinc/11/63/46/559116346.db2.gz MDJXHXBYWPYPKM-UHFFFAOYSA-N 0 3 421.541 3.713 40 0 HHABHN Cc1cnn(CCOc2cccc(CN3CCC[C@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271809 559117772 /nfs/dbraw/zinc/11/77/72/559117772.db2.gz OSONZDJBBRLLOY-RUZDIDTESA-N 0 3 421.541 3.676 40 0 HHABHN COc1ccc(OCCc2cc([C@@H]3CN(CCc4ccccc4)CCO3)n[nH]2)cc1 ZINC000257201662 559282401 /nfs/dbraw/zinc/28/24/01/559282401.db2.gz AILVQVMYXDDDDS-DEOSSOPVSA-N 0 3 407.514 3.656 40 0 HHABHN Cc1cccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000000884944 560540277 /nfs/dbraw/zinc/54/02/77/560540277.db2.gz DBQAGUMLYFGTDK-UHFFFAOYSA-N 0 3 408.571 3.906 40 0 HHABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000004133515 560600614 /nfs/dbraw/zinc/60/06/14/560600614.db2.gz LBDDTCRLLUAPPR-UHFFFAOYSA-N 0 3 422.598 3.583 40 0 HHABHN COc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972533 560857739 /nfs/dbraw/zinc/85/77/39/560857739.db2.gz YVUFEZLYZUOAFD-WSCWJOSJSA-N 0 3 405.498 3.582 40 0 HHABHN CCCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000020141133 560881406 /nfs/dbraw/zinc/88/14/06/560881406.db2.gz KMCLURODZPNEOA-OAQYLSRUSA-N 0 3 400.546 3.652 40 0 HHABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c1 ZINC000005024623 568431482 /nfs/dbraw/zinc/43/14/82/568431482.db2.gz QFVMNMQOBFOZIG-VSKRKVRLSA-N 0 3 400.434 3.752 40 0 HHABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccco1 ZINC000223258952 568542970 /nfs/dbraw/zinc/54/29/70/568542970.db2.gz TXUTUYUQGYDOOH-FGZHOGPDSA-N 0 3 423.586 3.675 40 0 HHABHN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223277449 568543829 /nfs/dbraw/zinc/54/38/29/568543829.db2.gz XGZVYPFWXQSRDY-VXKWHMMOSA-N 0 3 405.571 3.715 40 0 HHABHN COc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OC ZINC000225772283 568673456 /nfs/dbraw/zinc/67/34/56/568673456.db2.gz KMDGBKGDTACJFN-UHFFFAOYSA-N 0 3 415.559 3.663 40 0 HHABHN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)CN4CCCCCC4)C3)o2)cc1 ZINC000257207275 568778278 /nfs/dbraw/zinc/77/82/78/568778278.db2.gz BHBOUHHDCUNBBM-FQEVSTJZSA-N 0 3 411.546 3.856 40 0 HHABHN Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1 ZINC000257215279 568780602 /nfs/dbraw/zinc/78/06/02/568780602.db2.gz CPLVEFJDYKEDSD-UHFFFAOYSA-N 0 3 422.577 3.894 40 0 HHABHN COCCc1ncc(CN2CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)cn1 ZINC000257245975 568789123 /nfs/dbraw/zinc/78/91/23/568789123.db2.gz IRYAAFGRTCZHEW-SFHVURJKSA-N 0 3 422.508 3.636 40 0 HHABHN COCCc1ncc(CN2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)cn1 ZINC000257297935 568803843 /nfs/dbraw/zinc/80/38/43/568803843.db2.gz RJKVGXRKBLCSPN-UHFFFAOYSA-N 0 3 418.545 3.887 40 0 HHABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccc(C)s4)CC2)CN(C)C3)cc1 ZINC000306126598 568889342 /nfs/dbraw/zinc/88/93/42/568889342.db2.gz DZVKZQAQTDYRSF-UHFFFAOYSA-N 0 3 423.586 3.760 40 0 HHABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242620184 568968245 /nfs/dbraw/zinc/96/82/45/568968245.db2.gz PXATVBJBYUSZAX-KZNAEPCWSA-N 0 3 400.327 3.525 40 0 HHABHN CCOC[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242649009 568968706 /nfs/dbraw/zinc/96/87/06/568968706.db2.gz RQRWOMWEVYHYQF-PWRODBHTSA-N 0 3 407.963 3.824 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000004171814 569321780 /nfs/dbraw/zinc/32/17/80/569321780.db2.gz CXQYYROFFWGQCQ-AQNXPRMDSA-N 0 3 406.463 3.808 40 0 HHABHN CNC(=O)c1cnc(C)nc1CC1CCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC000019756819 569348792 /nfs/dbraw/zinc/34/87/92/569348792.db2.gz AVFJFQXAMCTESP-UHFFFAOYSA-N 0 3 415.541 3.661 40 0 HHABHN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccncc1 ZINC000108971975 569353638 /nfs/dbraw/zinc/35/36/38/569353638.db2.gz JOUIGWNVPQUNFF-UYRXBGFRSA-N 0 3 424.526 3.538 40 0 HHABHN Cc1ccccc1N1OC2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccncc1 ZINC000012916573 569405025 /nfs/dbraw/zinc/40/50/25/569405025.db2.gz XJZAFMJCRHXMSW-NJDAHSKKSA-N 0 3 403.413 3.580 40 0 HHABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3c(c2)n(C)c(=O)n3C)s1 ZINC000043277896 524406943 /nfs/dbraw/zinc/40/69/43/524406943.db2.gz RTZZLKHWVJSAGJ-UHFFFAOYSA-N 0 3 409.559 3.536 40 0 HHABHN COc1cc(Br)c(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000001624476 557277096 /nfs/dbraw/zinc/27/70/96/557277096.db2.gz QKHZFXGDKKIIJA-MRXNPFEDSA-N 0 3 422.319 3.913 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000004263606 557533282 /nfs/dbraw/zinc/53/32/82/557533282.db2.gz AWYACEIVBOFBHB-BDTNDASRSA-N 0 3 418.424 3.885 40 0 HHABHN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(Cc1cccnc1)CC3)c1cccn1-2 ZINC000012086184 558321660 /nfs/dbraw/zinc/32/16/60/558321660.db2.gz NEICZSMYELBTSD-VWLOTQADSA-N 0 3 416.525 3.957 40 0 HHABHN CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019499846 558897753 /nfs/dbraw/zinc/89/77/53/558897753.db2.gz IGIJKYZXMNJXEO-UZLBHIALSA-N 0 3 400.567 3.830 40 0 HHABHN CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019499846 558897754 /nfs/dbraw/zinc/89/77/54/558897754.db2.gz IGIJKYZXMNJXEO-UZLBHIALSA-N 0 3 400.567 3.830 40 0 HHABHN CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019499846 558897756 /nfs/dbraw/zinc/89/77/56/558897756.db2.gz IGIJKYZXMNJXEO-UZLBHIALSA-N 0 3 400.567 3.830 40 0 HHABHN CC[C@H]1CCCCN1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000019500958 558898774 /nfs/dbraw/zinc/89/87/74/558898774.db2.gz MOCJEIJGQSQJSH-GBESFXJTSA-N 0 3 402.539 3.651 40 0 HHABHN CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2ccccn2)C1 ZINC000019528742 558909963 /nfs/dbraw/zinc/90/99/63/558909963.db2.gz AOAHBYWRRJOJMR-XMMPIXPASA-N 0 3 404.514 3.698 40 0 HHABHN COc1cccc(CN2CCC[C@H](c3nnc(-c4scnc4C)o3)C2)c1OC ZINC000019562816 558923377 /nfs/dbraw/zinc/92/33/77/558923377.db2.gz PXUMYRVWZNWLLZ-HNNXBMFYSA-N 0 3 400.504 3.898 40 0 HHABHN COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(Cc1ccccn1)CC3)c1cccn1-2 ZINC000072327208 558933826 /nfs/dbraw/zinc/93/38/26/558933826.db2.gz IYGFEIVJHTYRFB-RUZDIDTESA-N 0 3 416.525 3.957 40 0 HHABHN COc1cccc(Cn2c3cc(C)sc3c3cnn(CCN4CCCC4)c(=O)c32)c1 ZINC000072334544 558935591 /nfs/dbraw/zinc/93/55/91/558935591.db2.gz SCJRDRGRZQCXSJ-UHFFFAOYSA-N 0 3 422.554 3.874 40 0 HHABHN COc1coc(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)c1OC ZINC000019590882 558940935 /nfs/dbraw/zinc/94/09/35/558940935.db2.gz BKSRXBLNQUXGRZ-UHFFFAOYSA-N 0 3 414.502 3.575 40 0 HHABHN CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(Cc2ccccn2)C1 ZINC000019591323 558941745 /nfs/dbraw/zinc/94/17/45/558941745.db2.gz LXFWPVDHPDVZRO-VWLOTQADSA-N 0 3 400.526 3.715 40 0 HHABHN COc1ccc(CC(=O)N2CCN(C3CCCC3)C[C@@H](Cc3ccccn3)C2)cc1 ZINC000072355164 558952507 /nfs/dbraw/zinc/95/25/07/558952507.db2.gz GMXFEVCUPCEVRX-OAQYLSRUSA-N 0 3 407.558 3.578 40 0 HHABHN CCN(CC)CC(=O)N1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370397 558956765 /nfs/dbraw/zinc/95/67/65/558956765.db2.gz YMPWHLDTJOMGDH-MRXNPFEDSA-N 0 3 401.576 3.526 40 0 HHABHN COc1ccc(OCCc2cc([C@@H]3CCN(Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000072371730 558958759 /nfs/dbraw/zinc/95/87/59/558958759.db2.gz HXNQHWYRNQQLME-LJQANCHMSA-N 0 3 421.545 3.943 40 0 HHABHN COc1ccc(OCCc2cc([C@@H]3CCN(Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000072371730 558958762 /nfs/dbraw/zinc/95/87/62/558958762.db2.gz HXNQHWYRNQQLME-LJQANCHMSA-N 0 3 421.545 3.943 40 0 HHABHN CC(C)Nc1[nH]nc2nc([C@H]3CCCN3CC(=O)N3CCCc4ccccc43)ccc21 ZINC000072374502 558962220 /nfs/dbraw/zinc/96/22/20/558962220.db2.gz QKWVAUUUNBHJAE-OAQYLSRUSA-N 0 3 418.545 3.895 40 0 HHABHN c1ccc(OCCn2nc(C3CCN(Cc4ccncc4)CC3)c3nccnc32)cc1 ZINC000072395855 558974699 /nfs/dbraw/zinc/97/46/99/558974699.db2.gz NLQQWMYFDYXTPC-UHFFFAOYSA-N 0 3 414.513 3.680 40 0 HHABHN CCC(=O)N[C@H]1CN(Cc2ccccc2OC)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395736 558974856 /nfs/dbraw/zinc/97/48/56/558974856.db2.gz ABSZVJNMAAOBKA-YADHBBJMSA-N 0 3 421.541 3.690 40 0 HHABHN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccccc2CN2CCCC2)CC1=O ZINC000019715118 558975670 /nfs/dbraw/zinc/97/56/70/558975670.db2.gz ZWCRTUQYBIMOAT-IBGZPJMESA-N 0 3 407.514 3.591 40 0 HHABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000072398553 558976050 /nfs/dbraw/zinc/97/60/50/558976050.db2.gz RRHPAUUBXJDDLQ-XXBNENTESA-N 0 3 409.530 3.578 40 0 HHABHN COc1ccccc1CNc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[n-]1 ZINC000019717533 558980329 /nfs/dbraw/zinc/98/03/29/558980329.db2.gz YRMGKJUPDUCUIT-UHFFFAOYSA-N 0 3 405.502 3.578 40 0 HHABHN CN(C)c1ccc(C(=O)N2CCC[C@]3(CCN3C[C@@H]3CCCO3)C2)c2ccccc21 ZINC000585101944 559025034 /nfs/dbraw/zinc/02/50/34/559025034.db2.gz NBHQEGVWMSRCNP-DFBJGRDBSA-N 0 3 407.558 3.765 40 0 HHABHN COc1cccc(CC(=O)N2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221025 559102001 /nfs/dbraw/zinc/10/20/01/559102001.db2.gz YCNXFWRTTVANLL-JOCHJYFZSA-N 0 3 408.542 3.520 40 0 HHABHN CCN1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069914 559272799 /nfs/dbraw/zinc/27/27/99/559272799.db2.gz RJTBDPRPIQSYQY-QFIPXVFZSA-N 0 3 420.638 3.794 40 0 HHABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000004133436 560600498 /nfs/dbraw/zinc/60/04/98/560600498.db2.gz WWBXTLVCCBGGKP-UHFFFAOYSA-N 0 3 422.598 3.529 40 0 HHABHN Cc1sc(NC(=O)CNCC(C)(c2ccccc2)c2ccccc2)c(C(N)=O)c1C ZINC000004647972 560608042 /nfs/dbraw/zinc/60/80/42/560608042.db2.gz BCORPUHPOYDSGT-UHFFFAOYSA-N 0 3 421.566 3.998 40 0 HHABHN COc1ccc(S(=O)(=O)[N-]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1Cl ZINC000010544013 560770345 /nfs/dbraw/zinc/77/03/45/560770345.db2.gz PTGLRMYHWVWWGR-STQMWFEESA-N 0 3 409.379 3.648 40 0 HHABHN Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369648 560872873 /nfs/dbraw/zinc/87/28/73/560872873.db2.gz HYJAHYVZMPGRSB-HSZRJFAPSA-N 0 3 420.536 3.510 40 0 HHABHN CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1 ZINC000022929733 568500587 /nfs/dbraw/zinc/50/05/87/568500587.db2.gz OYNQIALRDYCSBI-FQEVSTJZSA-N 0 3 402.612 3.820 40 0 HHABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1Cc1cccnc1 ZINC000223451716 568549290 /nfs/dbraw/zinc/54/92/90/568549290.db2.gz NVPYJXZLAZMMIT-FGZHOGPDSA-N 0 3 412.522 3.835 40 0 HHABHN CCOC(=O)N1C[C@]2(NC(C)=O)CCN(Cc3ccccc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000226076099 568693046 /nfs/dbraw/zinc/69/30/46/568693046.db2.gz NTKAEMXYUGWFRO-VDKIKQQVSA-N 0 3 421.541 3.597 40 0 HHABHN CN(C)CCN(C)C(=O)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 ZINC000257277980 568797932 /nfs/dbraw/zinc/79/79/32/568797932.db2.gz OAGGHFFEHYWMGD-UHFFFAOYSA-N 0 3 416.512 3.991 40 0 HHABHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(CCc2ccccc2)Cc2cccs2)C1 ZINC000257331220 568813509 /nfs/dbraw/zinc/81/35/09/568813509.db2.gz XRWKUSATQJXDRF-WOJBJXKFSA-N 0 3 402.560 3.773 40 0 HHABHN CC(C)(C)Oc1ccc(CN2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)cc1 ZINC000306123583 568886863 /nfs/dbraw/zinc/88/68/63/568886863.db2.gz AQWWRMSKOULGLX-DEOSSOPVSA-N 0 3 408.546 3.902 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccc(C)c4)C[C@H]32)cc1 ZINC000306135519 568897597 /nfs/dbraw/zinc/89/75/97/568897597.db2.gz OTWKLBWLBVLVFO-DNQXCXABSA-N 0 3 401.510 3.887 40 0 HHABHN Cn1[n-]c2c(c1=O)CN(Cc1ccc(F)cc1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306143629 568905121 /nfs/dbraw/zinc/90/51/21/568905121.db2.gz YHCMKIKETYTJNE-UHFFFAOYSA-N 0 3 420.532 3.814 40 0 HHABHN Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccccn1 ZINC000035415802 569036042 /nfs/dbraw/zinc/03/60/42/569036042.db2.gz AZWBXGPXYJMOJK-BWAGFHJFSA-N 0 3 405.521 3.589 40 0 biogenic,in-vitro HHABHN COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(C)c2OC)C1 ZINC000227306276 569285181 /nfs/dbraw/zinc/28/51/81/569285181.db2.gz KWNXCXWEGLHDPT-AUSIDOKSSA-N 0 3 411.546 3.505 40 0 HHABHN COc1cc(CN2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc(OC)c1OC ZINC000247908449 569315723 /nfs/dbraw/zinc/31/57/23/569315723.db2.gz TVBPJBMXYGMPJD-NVVBAYIOSA-N 0 3 401.478 3.581 40 0 HHABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000019567726 569345655 /nfs/dbraw/zinc/34/56/55/569345655.db2.gz QUDIYISPMHIWQV-XMSQKQJNSA-N 0 3 409.530 3.578 40 0 HHABHN C/C(=C\c1ccccc1)CN1CC[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702135 569347382 /nfs/dbraw/zinc/34/73/82/569347382.db2.gz AWVAZPUOXFFXHA-DQSGYLJSSA-N 0 3 421.566 3.911 40 0 HHABHN CNc1cc(CN(C)C(=O)C2(c3cccc(F)c3)CCCC2)nc([C@H]2CCCN2)n1 ZINC000019759826 569429615 /nfs/dbraw/zinc/42/96/15/569429615.db2.gz KLAYMJJBMKPZAH-LJQANCHMSA-N 0 3 411.525 3.552 40 0 HHABHN CCCOc1ccc(N2C(=O)C[C@@H](NCCc3c(C)n(C)c4ccccc34)C2=O)cc1 ZINC000004571260 291249530 /nfs/dbraw/zinc/24/95/30/291249530.db2.gz YBOBIJKMDUJMIZ-JOCHJYFZSA-N 0 3 419.525 3.740 40 0 HHABHN COC[C@H]1CCCN1Cc1nc(C2(O)CCN(CC3CCCCC3)CC2)cs1 ZINC000225466033 291251766 /nfs/dbraw/zinc/25/17/66/291251766.db2.gz NSLLVUGLGZGWQC-LJQANCHMSA-N 0 3 407.624 3.618 40 0 biogenic,in-vitro HHABHN CC(=O)N(CC[C@@](CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000004212146 557529195 /nfs/dbraw/zinc/52/91/95/557529195.db2.gz GTEPPJFJSNSNIH-JOCHJYFZSA-N 0 3 407.986 3.586 40 0 investigational HHABHN Cc1ccc([C@H](Cn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)N(C)C)cc1 ZINC000019719977 558258783 /nfs/dbraw/zinc/25/87/83/558258783.db2.gz OPVZKWVHFCEQKP-QHCPKHFHSA-N 0 3 403.530 3.660 40 0 HHABHN COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN(CC5CC5)C4)nc32)c1 ZINC000019741421 558262047 /nfs/dbraw/zinc/26/20/47/558262047.db2.gz LQRHSMRMYMAHJW-HXUWFJFHSA-N 0 3 420.557 3.862 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)C[C@H]2O ZINC000012329746 558384560 /nfs/dbraw/zinc/38/45/60/558384560.db2.gz YQEYMLMMDKTXRW-WOJBJXKFSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329758 558384602 /nfs/dbraw/zinc/38/46/02/558384602.db2.gz GFKMZNTXUDFXMH-WOJBJXKFSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)CCCC4)CC1)C[C@H]2O ZINC000012330253 558385231 /nfs/dbraw/zinc/38/52/31/558385231.db2.gz OVCVEWHEMTXRCE-RPWUZVMVSA-N 0 3 423.553 3.958 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(OC)c1 ZINC000020798542 558415093 /nfs/dbraw/zinc/41/50/93/558415093.db2.gz OZCRCDGMAZZCGE-IBGZPJMESA-N 0 3 408.454 3.524 40 0 HHABHN O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039766439 558685918 /nfs/dbraw/zinc/68/59/18/558685918.db2.gz UXNLXFLVDJSANW-UHFFFAOYSA-N 0 3 409.505 3.912 40 0 HHABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1Cl ZINC000030326270 558728836 /nfs/dbraw/zinc/72/88/36/558728836.db2.gz AFNPORPSSJPXSF-UHFFFAOYSA-N 0 3 408.951 3.813 40 0 HHABHN COc1ccc(C)cc1CN1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000019133405 558845823 /nfs/dbraw/zinc/84/58/23/558845823.db2.gz FZRPREJZOLOCOH-UWWQBHOKSA-N 0 3 409.456 3.795 40 0 HHABHN Cc1ccc([C@@]2(O)CC[C@@H]3CN(Cc4ccc(Oc5ncccn5)cc4)C[C@@H]32)nc1 ZINC000019216123 558850088 /nfs/dbraw/zinc/85/00/88/558850088.db2.gz UPOAEJFTPMJDBD-NHCICSSKSA-N 0 3 402.498 3.702 40 0 HHABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)ccc1OC(F)F ZINC000019215991 558850133 /nfs/dbraw/zinc/85/01/33/558850133.db2.gz JDCWYSFUDBFZEQ-JKSBSHDWSA-N 0 3 404.457 3.730 40 0 HHABHN COc1cccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)c1OC ZINC000019285538 558860113 /nfs/dbraw/zinc/86/01/13/558860113.db2.gz JISGHFIRBPEBOK-RBUKOAKNSA-N 0 3 423.488 3.618 40 0 HHABHN COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)c1OC ZINC000019285538 558860115 /nfs/dbraw/zinc/86/01/15/558860115.db2.gz JISGHFIRBPEBOK-RBUKOAKNSA-N 0 3 423.488 3.618 40 0 HHABHN Cn1cc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccc(F)cc2)CN3C(=O)c2ccccc2)cn1 ZINC000019290706 558863074 /nfs/dbraw/zinc/86/30/74/558863074.db2.gz ZIAXUUYRNKHTCK-HJOGWXRNSA-N 0 3 418.516 3.690 40 0 HHABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccccc1OCc1ccccn1)C2 ZINC000019291415 558863736 /nfs/dbraw/zinc/86/37/36/558863736.db2.gz TYCFDUCIRWPJIC-KEVCNVLYSA-N 0 3 418.541 3.514 40 0 HHABHN O=C(c1cc(C2CCN(Cc3cccc4ccccc43)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019376366 558882236 /nfs/dbraw/zinc/88/22/36/558882236.db2.gz JHDBNEISDOQAQH-OAQYLSRUSA-N 0 3 419.525 3.804 40 0 HHABHN CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2ccccn2)C1 ZINC000019528743 558909954 /nfs/dbraw/zinc/90/99/54/558909954.db2.gz AOAHBYWRRJOJMR-DEOSSOPVSA-N 0 3 404.514 3.698 40 0 HHABHN COc1ccc(-c2ncc(CN3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)cn2)cc1 ZINC000019558577 558920362 /nfs/dbraw/zinc/92/03/62/558920362.db2.gz WUENHTICLZLIPK-OFFJZUQKSA-N 0 3 416.525 3.667 40 0 HHABHN COCCc1ncc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cn1 ZINC000019565103 558925261 /nfs/dbraw/zinc/92/52/61/558925261.db2.gz HSFAFEKWZBHYNE-UHFFFAOYSA-N 0 3 417.460 3.827 40 0 HHABHN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2oc4ccccc4c2C)C3)c(OC)n1 ZINC000019566330 558926102 /nfs/dbraw/zinc/92/61/02/558926102.db2.gz XHSWTLSDFBYKCD-LDSCYUJKSA-N 0 3 423.513 3.668 40 0 HHABHN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1CN1CCCCC1 ZINC000019662404 558953445 /nfs/dbraw/zinc/95/34/45/558953445.db2.gz KMTZADORKLQQHB-UHFFFAOYSA-N 0 3 407.558 3.781 40 0 HHABHN COCCN1CC=CC[C@@H](C2CCN(Cc3ccccc3OCC(C)C)CC2)C1=O ZINC000072371085 558957641 /nfs/dbraw/zinc/95/76/41/558957641.db2.gz FDSJPFWEEDPCKP-QHCPKHFHSA-N 0 3 414.590 3.985 40 0 HHABHN Cc1cnc(CCNC(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)s1 ZINC000072374392 558961939 /nfs/dbraw/zinc/96/19/39/558961939.db2.gz ZSNAIHGDKKAZMU-LJQANCHMSA-N 0 3 421.570 3.594 40 0 HHABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 ZINC000096215641 559101839 /nfs/dbraw/zinc/10/18/39/559101839.db2.gz IAEUGHRBBNBHNL-XMMPIXPASA-N 0 3 408.498 3.552 40 0 HHABHN CC(C)N1CCC2(CC1)CN(S(=O)(=O)c1cccc(F)c1)Cc1ccccc12 ZINC000096242414 559103980 /nfs/dbraw/zinc/10/39/80/559103980.db2.gz JUKGSJQXBHFXNT-UHFFFAOYSA-N 0 3 402.535 3.772 40 0 HHABHN CO[C@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274150 559118466 /nfs/dbraw/zinc/11/84/66/559118466.db2.gz SPJVIOVOVCZZKJ-XMMPIXPASA-N 0 3 414.521 3.700 40 0 HHABHN Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCN(c4ccccn4)CC3)C=C2C)o1 ZINC000035442633 560079800 /nfs/dbraw/zinc/07/98/00/560079800.db2.gz ZXLPVAUSODRGBJ-FKBYEOEOSA-N 0 3 409.578 3.992 40 0 biogenic,in-vitro HHABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccccc3)cc2c1 ZINC000000880585 560539661 /nfs/dbraw/zinc/53/96/61/560539661.db2.gz DUQDRXHZZRYBQT-UHFFFAOYSA-N 0 3 408.571 3.851 40 0 HHABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3cccc(C)c3)cc2c1 ZINC000000884950 560540304 /nfs/dbraw/zinc/54/03/04/560540304.db2.gz LYUZIZPSUZTCRQ-UHFFFAOYSA-N 0 3 424.570 3.606 40 0 HHABHN Cc1cccc2cc(CN(CCN3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c12 ZINC000008586274 560636780 /nfs/dbraw/zinc/63/67/80/560636780.db2.gz AFVNZFNIJYFCSZ-UHFFFAOYSA-N 0 3 410.562 3.777 40 0 HHABHN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3Br)C(=O)C2ON1c1ccccc1 ZINC000102722000 560731583 /nfs/dbraw/zinc/73/15/83/560731583.db2.gz JPAGAUXKVTXNOI-RCCFBDPRSA-N 0 3 415.287 3.928 40 0 HHABHN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102706417 560732018 /nfs/dbraw/zinc/73/20/18/560732018.db2.gz XIRGTAFIESYEAK-FDFHNCONSA-N 0 3 418.424 3.885 40 0 HHABHN Cc1c(C)n(C[C@@H](O)CN(C)Cc2cccc(CN3CCOCC3)c2)c2ccccc12 ZINC000585273162 560741528 /nfs/dbraw/zinc/74/15/28/560741528.db2.gz POJJKSMWKOQYDB-DEOSSOPVSA-N 0 3 421.585 3.583 40 0 HHABHN COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1cccs1 ZINC000008470581 560755267 /nfs/dbraw/zinc/75/52/67/560755267.db2.gz QWWHPXNEHCLQDF-UHFFFAOYSA-N 0 3 410.967 3.801 40 0 HHABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 ZINC000097951958 560756798 /nfs/dbraw/zinc/75/67/98/560756798.db2.gz QFVMNMQOBFOZIG-BDTNDASRSA-N 0 3 400.434 3.752 40 0 HHABHN COc1ccc(-c2noc(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)n2)cc1 ZINC000219235819 568488322 /nfs/dbraw/zinc/48/83/22/568488322.db2.gz IKTGZTFSGSTEEO-UHFFFAOYSA-N 0 3 420.513 3.907 40 0 HHABHN CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222601842 568520105 /nfs/dbraw/zinc/52/01/05/568520105.db2.gz MMZQFHGLVZKTHS-INIZCTEOSA-N 0 3 414.506 3.808 40 0 HHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000223278515 568543811 /nfs/dbraw/zinc/54/38/11/568543811.db2.gz FGMUWQWXXPBINH-SFTDATJTSA-N 0 3 409.534 3.546 40 0 HHABHN CC(C)n1c(SCCN2CCCC2)nnc1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000026441157 568549506 /nfs/dbraw/zinc/54/95/06/568549506.db2.gz UCIWSJYQLBTJRC-FQEVSTJZSA-N 0 3 414.623 3.822 40 0 HHABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1Cc1ccncc1 ZINC000223487340 568550275 /nfs/dbraw/zinc/55/02/75/568550275.db2.gz NAKSDBNTCUZNMP-FCHUYYIVSA-N 0 3 412.522 3.835 40 0 HHABHN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)CN4CCCCCC4)C3)o2)cc1 ZINC000257207276 568778270 /nfs/dbraw/zinc/77/82/70/568778270.db2.gz BHBOUHHDCUNBBM-HXUWFJFHSA-N 0 3 411.546 3.856 40 0 HHABHN COc1ccc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5N(C)C4)[nH]n2)c(OC)c1 ZINC000257215156 568780582 /nfs/dbraw/zinc/78/05/82/568780582.db2.gz COYFSWJNAPSQHT-KKWLSJBDSA-N 0 3 424.545 3.571 40 0 HHABHN CCN1CCC[C@H](NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257245152 568788964 /nfs/dbraw/zinc/78/89/64/568788964.db2.gz IOGGSOFKKZCKJO-QHCPKHFHSA-N 0 3 407.558 3.688 40 0 HHABHN Cc1nc2cc([C@@H]3CCCN3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257263037 568793733 /nfs/dbraw/zinc/79/37/33/568793733.db2.gz LOCQUBKQVGPAQT-QFIPXVFZSA-N 0 3 409.578 3.981 40 0 HHABHN CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(Cc4ccccn4)C3)ccc2c1N ZINC000257341615 568816553 /nfs/dbraw/zinc/81/65/53/568816553.db2.gz ZLBQIRTZCRAIGG-QFIPXVFZSA-N 0 3 409.559 3.529 40 0 HHABHN CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@H](Cc3cccnc3)C2)CC1 ZINC000257343019 568817053 /nfs/dbraw/zinc/81/70/53/568817053.db2.gz ZRBWPVUONSXYIR-JOCHJYFZSA-N 0 3 409.549 3.957 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccc(C)c4)C[C@@H]32)cc1 ZINC000306135520 568897583 /nfs/dbraw/zinc/89/75/83/568897583.db2.gz OTWKLBWLBVLVFO-RPWUZVMVSA-N 0 3 401.510 3.887 40 0 HHABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000013136439 569211505 /nfs/dbraw/zinc/21/15/05/569211505.db2.gz QKCWRQZHQLQNEA-HKBOAZHASA-N 0 3 404.422 3.729 40 0 HHABHN COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019570235 569345830 /nfs/dbraw/zinc/34/58/30/569345830.db2.gz AUUQDGNDGZBZLJ-GBXCKJPGSA-N 0 3 416.525 3.869 40 0 HHABHN Cc1ccc(-c2nnn(CC(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)n2)cc1 ZINC000141560770 569354729 /nfs/dbraw/zinc/35/47/29/569354729.db2.gz SFGHVQCZESJDKI-SFHVURJKSA-N 0 3 404.518 3.662 40 0 HHABHN CNc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2)nc([C@H]2CCCN2)n1 ZINC000019759997 569429630 /nfs/dbraw/zinc/42/96/30/569429630.db2.gz WNZXGIFUHYIGHD-OAQYLSRUSA-N 0 3 401.514 3.882 40 0 HHABHN Cc1cc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)ccc1Br ZINC000329068326 571307629 /nfs/dbraw/zinc/30/76/29/571307629.db2.gz YPPDCVUWFIYYGN-UHFFFAOYSA-N 0 3 418.261 4.283 40 0 HHABHN COc1cc(CNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000044917559 522409287 /nfs/dbraw/zinc/40/92/87/522409287.db2.gz FFFCKDJOSYKZKT-UHFFFAOYSA-N 0 3 412.530 3.549 40 0 HHABHN COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000225881687 524900773 /nfs/dbraw/zinc/90/07/73/524900773.db2.gz VVTLSIYCDAHCAY-INIZCTEOSA-N 0 3 400.494 3.932 40 0 HHABHN COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044908573 524970842 /nfs/dbraw/zinc/97/08/42/524970842.db2.gz VOONAAFNEOAFQK-PKOBYXMFSA-N 0 3 400.494 3.630 40 0 HHABHN CN1CCC(O)(Cn2cc(C(=O)c3ccc(F)cc3)c3ccnc(Cl)c32)CC1 ZINC000012233921 558358466 /nfs/dbraw/zinc/35/84/66/558358466.db2.gz CJDBZKZYSGUSDT-UHFFFAOYSA-N 0 3 401.869 3.517 40 0 HHABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293688 558366993 /nfs/dbraw/zinc/36/69/93/558366993.db2.gz UWPPSFUFJORMIT-LEWJYISDSA-N 0 3 401.478 3.609 40 0 HHABHN COc1nc(-c2ccccc2)nc(C)c1CC(=O)N1CCCC[C@@H]1CN1CCCCC1 ZINC000012360867 558386922 /nfs/dbraw/zinc/38/69/22/558386922.db2.gz RAXGUZOXOLGOEF-OAQYLSRUSA-N 0 3 422.573 3.870 40 0 HHABHN CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(CCC(=O)c3ccccc3)CC2)C1 ZINC000012366022 558388196 /nfs/dbraw/zinc/38/81/96/558388196.db2.gz GAXPLFXYLKUGRH-RUZDIDTESA-N 0 3 406.526 3.925 40 0 HHABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000020636823 558396130 /nfs/dbraw/zinc/39/61/30/558396130.db2.gz QEBLNBFSYKRZKY-FCHUYYIVSA-N 0 3 419.525 3.575 40 0 HHABHN CNS(=O)(=O)CCc1ccc2c(c1)c(C1=CCN(C)CC1)cn2Cc1ccccc1 ZINC000022063354 558460755 /nfs/dbraw/zinc/46/07/55/558460755.db2.gz UILVSZGMQVBENV-UHFFFAOYSA-N 0 3 423.582 3.500 40 0 in-vitro HHABHN CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)N(C)C)cc1 ZINC000028296086 558698965 /nfs/dbraw/zinc/69/89/65/558698965.db2.gz IQNSBYXVOKMFSE-NRFANRHFSA-N 0 3 409.486 3.782 40 0 HHABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000100889378 558800479 /nfs/dbraw/zinc/80/04/79/558800479.db2.gz ABBALDGNDSAVGV-FKBYEOEOSA-N 0 3 400.434 3.746 40 0 HHABHN CCc1ccc(NC(=O)CC2C(=O)N(CCCOC)c3nc4ccccc4n32)cc1 ZINC000039963976 558822890 /nfs/dbraw/zinc/82/28/90/558822890.db2.gz NLLRSJBMAHVWCT-HXUWFJFHSA-N 0 3 406.486 3.552 40 0 HHABHN CCc1ccc(NC(=O)CC2C(=O)N(CCCOC)c3nc4ccccc4n32)cc1 ZINC000039963977 558823047 /nfs/dbraw/zinc/82/30/47/558823047.db2.gz NLLRSJBMAHVWCT-FQEVSTJZSA-N 0 3 406.486 3.552 40 0 HHABHN Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)CC2)cc1 ZINC000019136833 558846477 /nfs/dbraw/zinc/84/64/77/558846477.db2.gz LBRZGJNJSYYWOG-OAQYLSRUSA-N 0 3 420.557 3.652 40 0 HHABHN Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)CC2)cc1 ZINC000019136833 558846478 /nfs/dbraw/zinc/84/64/78/558846478.db2.gz LBRZGJNJSYYWOG-OAQYLSRUSA-N 0 3 420.557 3.652 40 0 HHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3c[nH]c4ccc(C)cc43)CC1)O2 ZINC000019220546 558851658 /nfs/dbraw/zinc/85/16/58/558851658.db2.gz CKAVJTDNQINBCN-DHIUTWEWSA-N 0 3 422.525 3.869 40 0 HHABHN Fc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019293823 558865497 /nfs/dbraw/zinc/86/54/97/558865497.db2.gz LATCKGNTWNOJBC-GOSISDBHSA-N 0 3 406.509 3.986 40 0 HHABHN CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccccn2)C1 ZINC000019529159 558910793 /nfs/dbraw/zinc/91/07/93/558910793.db2.gz QNODKOVCNMFZSC-VWLOTQADSA-N 0 3 400.526 3.715 40 0 HHABHN CCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1OC ZINC000019533781 558913356 /nfs/dbraw/zinc/91/33/56/558913356.db2.gz LPOKZOMLXCDXNE-YESZJQIVSA-N 0 3 421.492 3.588 40 0 HHABHN COc1cc2c(cc1CN1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)CCCC2 ZINC000019550618 558915125 /nfs/dbraw/zinc/91/51/25/558915125.db2.gz YZJFNRUOIHUPKJ-BKMJKUGQSA-N 0 3 419.569 3.997 40 0 HHABHN COc1cccc(CN2CCC[C@@H](c3nnc(-c4scnc4C)o3)C2)c1OC ZINC000019562813 558923353 /nfs/dbraw/zinc/92/33/53/558923353.db2.gz PXUMYRVWZNWLLZ-OAHLLOKOSA-N 0 3 400.504 3.898 40 0 HHABHN CNc1ncc(CN2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)cn1 ZINC000019565109 558925219 /nfs/dbraw/zinc/92/52/19/558925219.db2.gz XLOGYPMRWFXOBS-UHFFFAOYSA-N 0 3 406.412 3.761 40 0 HHABHN Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019577459 558933070 /nfs/dbraw/zinc/93/30/70/558933070.db2.gz VSAROLQMFRJJSR-IBGZPJMESA-N 0 3 412.582 3.534 40 0 HHABHN Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019577459 558933072 /nfs/dbraw/zinc/93/30/72/558933072.db2.gz VSAROLQMFRJJSR-IBGZPJMESA-N 0 3 412.582 3.534 40 0 HHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1 ZINC000019591332 558941715 /nfs/dbraw/zinc/94/17/15/558941715.db2.gz AYXOPBYWRLFALI-RUZDIDTESA-N 0 3 400.526 3.715 40 0 HHABHN CNc1cc([C@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)nc(-c2cccnc2)n1 ZINC000019592202 558943082 /nfs/dbraw/zinc/94/30/82/558943082.db2.gz VAQDGDJHDVXZJT-IBGZPJMESA-N 0 3 419.529 3.977 40 0 HHABHN CNc1cc([C@H]2CCCN(Cc3cccc(OC)c3OC)C2)nc(-c2ccncc2)n1 ZINC000019592279 558943364 /nfs/dbraw/zinc/94/33/64/558943364.db2.gz BYLBGHDOOKRQDY-SFHVURJKSA-N 0 3 419.529 3.977 40 0 HHABHN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000019693968 558961921 /nfs/dbraw/zinc/96/19/21/558961921.db2.gz UITGYNCVZCZTBH-SFHVURJKSA-N 0 3 410.953 3.976 40 0 HHABHN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(Cc3cn(C)nc3C)C2)c1 ZINC000019694071 558962301 /nfs/dbraw/zinc/96/23/01/558962301.db2.gz JNWLQMJVNICBNB-LJQANCHMSA-N 0 3 420.561 3.640 40 0 HHABHN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(Cc3cn(C)nc3C)C2)c1 ZINC000019694072 558962350 /nfs/dbraw/zinc/96/23/50/558962350.db2.gz JNWLQMJVNICBNB-IBGZPJMESA-N 0 3 420.561 3.640 40 0 HHABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2 ZINC000019707419 558969592 /nfs/dbraw/zinc/96/95/92/558969592.db2.gz HNQCSZHWFPEVQP-NRFANRHFSA-N 0 3 407.562 3.823 40 0 HHABHN COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398633 558976357 /nfs/dbraw/zinc/97/63/57/558976357.db2.gz AUUQDGNDGZBZLJ-YKSBVNFPSA-N 0 3 416.525 3.869 40 0 HHABHN CN(C)c1ccc(C(=O)N2CCC[C@@]3(CCN3C[C@H]3CCCO3)C2)c2ccccc21 ZINC000585101947 559025005 /nfs/dbraw/zinc/02/50/05/559025005.db2.gz NBHQEGVWMSRCNP-KBMIEXCESA-N 0 3 407.558 3.765 40 0 HHABHN Cc1nc(CN2C(=O)CC[C@@]23CCCN(Cc2nc4ccccn4c2C)CC3)cs1 ZINC000585100844 559025482 /nfs/dbraw/zinc/02/54/82/559025482.db2.gz YPCFGTYINNPFGQ-HSZRJFAPSA-N 0 3 423.586 3.955 40 0 HHABHN CCCC[C@H](N)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263319 559111952 /nfs/dbraw/zinc/11/19/52/559111952.db2.gz BXFSCVHZGHJOHT-INIZCTEOSA-N 0 3 402.568 3.517 40 0 HHABHN CCOCCOc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 ZINC000585273139 559117252 /nfs/dbraw/zinc/11/72/52/559117252.db2.gz PKJLAXOXLBWTGU-UHFFFAOYSA-N 0 3 403.494 3.647 40 0 HHABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282367 559120026 /nfs/dbraw/zinc/12/00/26/559120026.db2.gz IJMLLWQHDZRLPH-DEOSSOPVSA-N 0 3 402.579 3.546 40 0 HHABHN Cc1nc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)sc1C ZINC000585293123 559125646 /nfs/dbraw/zinc/12/56/46/559125646.db2.gz XHPASCYGGVMFNG-XSFOEPMVSA-N 0 3 414.579 3.773 40 0 HHABHN CC(=O)N1CCN(Cc2ccccc2OCCN2CCCC2)C[C@H]1c1ccccc1 ZINC000257343124 559283507 /nfs/dbraw/zinc/28/35/07/559283507.db2.gz ZRODUBRVNYUCSK-DEOSSOPVSA-N 0 3 407.558 3.567 40 0 HHABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1C(F)(F)F ZINC000008215696 560753303 /nfs/dbraw/zinc/75/33/03/560753303.db2.gz DDDGXXJWYHOEHQ-KRWDZBQOSA-N 0 3 401.388 3.651 40 0 HHABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3F)cc2c1 ZINC000004231269 560893989 /nfs/dbraw/zinc/89/39/89/560893989.db2.gz XLECOTMOAVDNPK-UHFFFAOYSA-N 0 3 410.493 3.825 40 0 HHABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000004937760 568425254 /nfs/dbraw/zinc/42/52/54/568425254.db2.gz ABBALDGNDSAVGV-FSSWDIPSSA-N 0 3 400.434 3.746 40 0 HHABHN Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222599699 568519957 /nfs/dbraw/zinc/51/99/57/568519957.db2.gz UODCIHPZTAGIRD-IBGZPJMESA-N 0 3 408.477 3.713 40 0 HHABHN CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222601772 568520142 /nfs/dbraw/zinc/52/01/42/568520142.db2.gz MMZQFHGLVZKTHS-MRXNPFEDSA-N 0 3 414.506 3.808 40 0 HHABHN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223277402 568543754 /nfs/dbraw/zinc/54/37/54/568543754.db2.gz XGZVYPFWXQSRDY-FCHUYYIVSA-N 0 3 405.571 3.715 40 0 HHABHN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223277222 568543789 /nfs/dbraw/zinc/54/37/89/568543789.db2.gz ZSXXYERVFWUJHH-VXKWHMMOSA-N 0 3 405.571 3.715 40 0 HHABHN COC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440188 568637989 /nfs/dbraw/zinc/63/79/89/568637989.db2.gz XQVOMFDUSHEYSL-UHFFFAOYSA-N 0 3 401.510 3.967 40 0 HHABHN Cc1cc(NC(=S)NCCCN2CCc3ccccc3C2)ccc1N1CCCC1=O ZINC000225744055 568670384 /nfs/dbraw/zinc/67/03/84/568670384.db2.gz NRLPTLIFNNIZLD-UHFFFAOYSA-N 0 3 422.598 3.857 40 0 HHABHN CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000257219151 568781568 /nfs/dbraw/zinc/78/15/68/568781568.db2.gz DFUUVBXEAOPRTR-HSZRJFAPSA-N 0 3 409.549 3.596 40 0 HHABHN CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000257219152 568781597 /nfs/dbraw/zinc/78/15/97/568781597.db2.gz DFUUVBXEAOPRTR-QHCPKHFHSA-N 0 3 409.549 3.596 40 0 HHABHN CN1CCC(C(=O)N2CC3(C2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)CC1 ZINC000257325393 568812058 /nfs/dbraw/zinc/81/20/58/568812058.db2.gz WSTJUDQSKNKKEA-AZUAARDMSA-N 0 3 418.965 3.759 40 0 HHABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)n1 ZINC000019760694 568871064 /nfs/dbraw/zinc/87/10/64/568871064.db2.gz ZYRRSTKLCSQQPL-JOCHJYFZSA-N 0 3 415.541 3.906 40 0 HHABHN COc1cccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)c1 ZINC000306130420 568892889 /nfs/dbraw/zinc/89/28/89/568892889.db2.gz JFWREZRNWNPHOL-UHFFFAOYSA-N 0 3 421.520 3.530 40 0 HHABHN Cc1ccc(CN2CCOC[C@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)s1 ZINC000306135993 568898013 /nfs/dbraw/zinc/89/80/13/568898013.db2.gz PGDWFLSUFKRMDX-OFNKIYASSA-N 0 3 414.571 3.545 40 0 HHABHN COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306139767 568901725 /nfs/dbraw/zinc/90/17/25/568901725.db2.gz UABCKKAEWHTUOW-DEOSSOPVSA-N 0 3 403.482 3.736 40 0 HHABHN CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611049 568939771 /nfs/dbraw/zinc/93/97/71/568939771.db2.gz WQIRXLPCLCLVOB-GBESFXJTSA-N 0 3 414.354 3.915 40 0 HHABHN COC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242620185 568968124 /nfs/dbraw/zinc/96/81/24/568968124.db2.gz PXATVBJBYUSZAX-RCCFBDPRSA-N 0 3 400.327 3.525 40 0 HHABHN Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329063463 568975400 /nfs/dbraw/zinc/97/54/00/568975400.db2.gz XEWASYSVNAKFQT-QGZVFWFLSA-N 0 3 405.340 3.539 40 0 HHABHN CCN(CC)CCCN(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575423375 569026437 /nfs/dbraw/zinc/02/64/37/569026437.db2.gz ZZITVRNQCLOVMO-QHCPKHFHSA-N 0 3 414.615 3.997 40 0 HHABHN O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000005001930 569051854 /nfs/dbraw/zinc/05/18/54/569051854.db2.gz HZQQVIJWHWREGB-UHFFFAOYSA-N 0 3 412.477 3.896 40 0 HHABHN Cc1ccc(S(=O)(=O)C2C(=O)N[C@]3(C)C[C@H]2c2cc(Cl)ccc2O3)cc1C ZINC000004315585 569323297 /nfs/dbraw/zinc/32/32/97/569323297.db2.gz HPFZZEPROBARDZ-QRFRQXIXSA-N 0 3 405.903 3.511 40 0 HHABHN C/C(=C\c1ccccc1)CN1CC[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702137 569347429 /nfs/dbraw/zinc/34/74/29/569347429.db2.gz AWVAZPUOXFFXHA-FLXZHSAZSA-N 0 3 421.566 3.911 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000012017530 569399406 /nfs/dbraw/zinc/39/94/06/569399406.db2.gz HXJRKUHQBVJCQZ-UFYCRDLUSA-N 0 3 424.840 3.993 40 0 HHABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2Cc2ccccc2)n1 ZINC000019690459 569428366 /nfs/dbraw/zinc/42/83/66/569428366.db2.gz CKLPYLHFSIQRKL-OAQYLSRUSA-N 0 3 401.514 3.646 40 0 HHABHN CCCNC(=O)[C@@H]1Cc2cn(Cc3nccn3C)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171779 291249522 /nfs/dbraw/zinc/24/95/22/291249522.db2.gz MNXQPWWSELPPAX-PMACEKPBSA-N 0 3 407.562 3.551 40 0 biogenic,in-vitro HHABHN COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000009043099 557017508 /nfs/dbraw/zinc/01/75/08/557017508.db2.gz VOQLNPKKMQJCHV-YOSAUDMPSA-N 0 3 407.514 3.732 40 0 HHABHN CC(=O)OC(Cc1ccccc1)(Cc1ccccc1)C(=O)OCCN1CCCCC1 ZINC000004216054 557529371 /nfs/dbraw/zinc/52/93/71/557529371.db2.gz VTBDTEWGXPOCSP-UHFFFAOYSA-N 0 3 409.526 3.803 40 0 in-man HHABHN NC(=O)c1cc([C@@H]2CCN(Cc3cncn3Cc3ccccc3)C2)nc2ccccc21 ZINC000019761908 558276946 /nfs/dbraw/zinc/27/69/46/558276946.db2.gz CJIOAVPYCLDAOF-LJQANCHMSA-N 0 3 411.509 3.568 40 0 HHABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC000012147629 558338413 /nfs/dbraw/zinc/33/84/13/558338413.db2.gz FBQPHYXHHXTJBY-UHFFFAOYSA-N 0 3 406.505 3.947 40 0 HHABHN COc1ccc(NC(=O)COc2ccc(/C=C/C3=CCN(C)CC3)cc2OC)cc1 ZINC000012154289 558339596 /nfs/dbraw/zinc/33/95/96/558339596.db2.gz URMFKTTTWSQBST-SNAWJCMRSA-N 0 3 408.498 3.996 40 0 HHABHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000012182198 558343190 /nfs/dbraw/zinc/34/31/90/558343190.db2.gz HAFYLKNECXTJLO-RGCFKVTRSA-N 0 3 418.994 3.879 40 0 HHABHN COc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(C)ccc1O2 ZINC000012293244 558366191 /nfs/dbraw/zinc/36/61/91/558366191.db2.gz XDGAUBKGOQPUIK-XZOQPEGZSA-N 0 3 422.525 3.869 40 0 HHABHN COc1cc(C)c(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1OC ZINC000012344469 558386527 /nfs/dbraw/zinc/38/65/27/558386527.db2.gz LKQRUDCEKOMJBS-UHFFFAOYSA-N 0 3 400.494 3.779 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000020798654 558415106 /nfs/dbraw/zinc/41/51/06/558415106.db2.gz GTVUZNHVKOGGBM-SFHVURJKSA-N 0 3 422.481 3.832 40 0 HHABHN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CN2CCCC2)cc1 ZINC000013678320 558565378 /nfs/dbraw/zinc/56/53/78/558565378.db2.gz BCTABIUCVVOZOK-UHFFFAOYSA-N 0 3 414.509 3.860 40 0 HHABHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc(Br)cc1 ZINC000015360747 558735802 /nfs/dbraw/zinc/73/58/02/558735802.db2.gz BUXOKERTRMUTNK-UHFFFAOYSA-N 0 3 423.376 3.914 40 0 HHABHN COCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000030940076 558745354 /nfs/dbraw/zinc/74/53/54/558745354.db2.gz PMMGJFFBJYGCGI-UHFFFAOYSA-N 0 3 409.530 3.547 40 0 HHABHN Clc1ccc(CN[C@H]2CCN(c3ncc(Br)cn3)C2)c(Cl)c1 ZINC000035999346 558796388 /nfs/dbraw/zinc/79/63/88/558796388.db2.gz PXQNLQLMRMROSB-ZDUSSCGKSA-N 0 3 402.123 3.914 40 0 in-vitro HHABHN COc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1OC ZINC000038848973 558818513 /nfs/dbraw/zinc/81/85/13/558818513.db2.gz BNMDRQRVHVRAHO-LJQANCHMSA-N 0 3 416.949 3.928 40 0 HHABHN CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)C2ON1c1ccccc1 ZINC000101025207 558825210 /nfs/dbraw/zinc/82/52/10/558825210.db2.gz JPAGAUXKVTXNOI-BZSNNMDCSA-N 0 3 415.287 3.928 40 0 HHABHN Cc1ccc([C@@]2(O)CC[C@@H]3CN(Cc4cccc(OC[C@H]5CCCO5)c4)C[C@@H]32)nc1 ZINC000019216136 558850238 /nfs/dbraw/zinc/85/02/38/558850238.db2.gz NYLABVKBHLPRLJ-BQXRJHOYSA-N 0 3 408.542 3.677 40 0 HHABHN Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CCc3ccccn3)C2)C1 ZINC000019237333 558856460 /nfs/dbraw/zinc/85/64/60/558856460.db2.gz KVWQKKCKLKMUGY-DHIUTWEWSA-N 0 3 421.585 3.962 40 0 HHABHN CCn1cc(CN2CCC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 ZINC000019524905 558906335 /nfs/dbraw/zinc/90/63/35/558906335.db2.gz NIIKLIXVLTWDNR-RUZDIDTESA-N 0 3 417.557 3.536 40 0 HHABHN CCOc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1OC ZINC000019533779 558913224 /nfs/dbraw/zinc/91/32/24/558913224.db2.gz LPOKZOMLXCDXNE-IXDOHACOSA-N 0 3 421.492 3.588 40 0 HHABHN Cc1c(Cl)cc(CN2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)c(N)c1C ZINC000019577225 558933114 /nfs/dbraw/zinc/93/31/14/558933114.db2.gz SPWRPGBPVLASAA-APWZRJJASA-N 0 3 408.937 3.812 40 0 HHABHN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000072330389 558934482 /nfs/dbraw/zinc/93/44/82/558934482.db2.gz OHARHGKLGGCDRI-AOUJKTHWSA-N 0 3 423.557 3.511 40 0 HHABHN COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cc(C)ccc2OC)C1 ZINC000072330772 558935166 /nfs/dbraw/zinc/93/51/66/558935166.db2.gz WRCBTIFPQOLMCF-DVECYGJZSA-N 0 3 411.546 3.505 40 0 HHABHN COc1cc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)ccc1O ZINC000072336902 558937345 /nfs/dbraw/zinc/93/73/45/558937345.db2.gz FWTPRZJQLCLJAO-UHFFFAOYSA-N 0 3 409.534 3.703 40 0 HHABHN COc1cccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584445 558938420 /nfs/dbraw/zinc/93/84/20/558938420.db2.gz UBJRTOBSXXYWCO-HXUWFJFHSA-N 0 3 403.530 3.993 40 0 HHABHN COc1cccc(CN2CCC(c3cc(N(C)C)nc(-c4ccncc4)n3)CC2)c1 ZINC000019584614 558938712 /nfs/dbraw/zinc/93/87/12/558938712.db2.gz MDOLFZASZBGAIL-UHFFFAOYSA-N 0 3 403.530 3.993 40 0 HHABHN COc1cccc(-c2cccc(C[C@@H]3CN(Cc4ccncc4)CCN(C)C3=O)c2)c1 ZINC000019589529 558940346 /nfs/dbraw/zinc/94/03/46/558940346.db2.gz VRZJUFUYLDPRTC-XMMPIXPASA-N 0 3 415.537 3.890 40 0 HHABHN COc1cccc(-c2cccc(C[C@@H]3CN(Cc4ccccn4)CCN(C)C3=O)c2)c1 ZINC000019589525 558940401 /nfs/dbraw/zinc/94/04/01/558940401.db2.gz QPTOLQOGADEFDQ-HSZRJFAPSA-N 0 3 415.537 3.890 40 0 HHABHN CN(C(=O)c1ccnn1C(F)F)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590890 558940951 /nfs/dbraw/zinc/94/09/51/558940951.db2.gz DDFQIFMXNCUHRQ-UHFFFAOYSA-N 0 3 404.461 3.556 40 0 HHABHN Cc1nccn1C[C@@H]1CCCN(Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656965 558949642 /nfs/dbraw/zinc/94/96/42/558949642.db2.gz VTMIBDFSEDRLKO-GOSISDBHSA-N 0 3 404.493 3.953 40 0 HHABHN Cc1nccn1C[C@H]1CCCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658113 558949956 /nfs/dbraw/zinc/94/99/56/558949956.db2.gz AEKPHHNYPVFFGY-IBGZPJMESA-N 0 3 405.502 3.730 40 0 HHABHN Cc1cc(N)n(-c2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)cc2)n1 ZINC000019660706 558951965 /nfs/dbraw/zinc/95/19/65/558951965.db2.gz CKSSGHPVPYDIRQ-QFIPXVFZSA-N 0 3 403.530 3.720 40 0 HHABHN Cn1nccc1CN1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371594 558958693 /nfs/dbraw/zinc/95/86/93/558958693.db2.gz VSUFZGGQZAYUMK-OAHLLOKOSA-N 0 3 419.451 3.773 40 0 HHABHN Cn1nccc1CN1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371594 558958696 /nfs/dbraw/zinc/95/86/96/558958696.db2.gz VSUFZGGQZAYUMK-OAHLLOKOSA-N 0 3 419.451 3.773 40 0 HHABHN Cc1nn(C)cc1CN1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694077 558962271 /nfs/dbraw/zinc/96/22/71/558962271.db2.gz JIZIBNLRUVLXHX-GOSISDBHSA-N 0 3 408.525 3.770 40 0 HHABHN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3CC(=O)N3CCCc4ccccc43)ccc21 ZINC000072374501 558962305 /nfs/dbraw/zinc/96/23/05/558962305.db2.gz QKWVAUUUNBHJAE-NRFANRHFSA-N 0 3 418.545 3.895 40 0 HHABHN Cc1ccc([C@H](CNC(=O)c2cnn3c2nc(C)cc3C(F)F)N2CCCC2)cc1 ZINC000072391758 558971536 /nfs/dbraw/zinc/97/15/36/558971536.db2.gz BQWCPLYMBHKFKL-IBGZPJMESA-N 0 3 413.472 3.851 40 0 HHABHN Cc1c(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)cnn1C ZINC000072393385 558972789 /nfs/dbraw/zinc/97/27/89/558972789.db2.gz DCKOTUDMMKOLTH-UHFFFAOYSA-N 0 3 400.954 3.698 40 0 HHABHN c1ccc(OCCn2nc(C3CCN(Cc4cccnc4)CC3)c3nccnc32)cc1 ZINC000072395856 558974864 /nfs/dbraw/zinc/97/48/64/558974864.db2.gz ZNPZSVMQJSAVSS-UHFFFAOYSA-N 0 3 414.513 3.680 40 0 HHABHN COc1ccc(CN2CCC[C@@]3(CCCN3C(=O)c3snnc3C)CC2)cc1 ZINC000585100807 559025546 /nfs/dbraw/zinc/02/55/46/559025546.db2.gz XGISQILWQVUFEW-OAQYLSRUSA-N 0 3 400.548 3.516 40 0 HHABHN Cc1noc(C)c1CN1CCC2(C[C@H](CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000096052809 559092488 /nfs/dbraw/zinc/09/24/88/559092488.db2.gz JHSGVQYPGDLFEB-FQEVSTJZSA-N 0 3 423.557 3.561 40 0 HHABHN COCCNC(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053364 559093366 /nfs/dbraw/zinc/09/33/66/559093366.db2.gz IYGFSRFRLJTEHA-SFHVURJKSA-N 0 3 414.571 3.802 40 0 HHABHN CC(=O)N1CCN([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585287813 559123164 /nfs/dbraw/zinc/12/31/64/559123164.db2.gz SKJPRTLAPGBYKZ-PTLVVNQVSA-N 0 3 420.569 3.705 40 0 HHABHN CC(C)(C)[C@H]1CC[C@H](N2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000585288273 559123320 /nfs/dbraw/zinc/12/33/20/559123320.db2.gz ZWHYLOANGHSYDP-STAGFUQPSA-N 0 3 415.496 3.885 40 0 HHABHN Cc1nc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)sc1C ZINC000585292089 559124617 /nfs/dbraw/zinc/12/46/17/559124617.db2.gz JTWCEXDJHZWURM-VMSUTVGLSA-N 0 3 414.579 3.773 40 0 HHABHN NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(CCOc3ccccc3)C2)c1 ZINC000072358893 559186097 /nfs/dbraw/zinc/18/60/97/559186097.db2.gz NCNIJLRRLICVKC-FQEVSTJZSA-N 0 3 402.498 3.501 40 0 HHABHN COc1ccccc1NC(=O)N(CCN(C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004231250 560602989 /nfs/dbraw/zinc/60/29/89/560602989.db2.gz ZIEIKLQBTJJNLD-UHFFFAOYSA-N 0 3 422.529 3.749 40 0 HHABHN O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000005001929 560620370 /nfs/dbraw/zinc/62/03/70/560620370.db2.gz WHFPKXSLGQPSFC-UHFFFAOYSA-N 0 3 412.477 3.896 40 0 HHABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000010544244 560770398 /nfs/dbraw/zinc/77/03/98/560770398.db2.gz GHOLGJYYUCVBPS-QGZVFWFLSA-N 0 3 403.386 3.523 40 0 HHABHN COc1ccc(S(=O)(=O)[N-]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1Cl ZINC000010544014 560770422 /nfs/dbraw/zinc/77/04/22/560770422.db2.gz PTGLRMYHWVWWGR-CHWSQXEVSA-N 0 3 409.379 3.648 40 0 HHABHN Fc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019372845 560872630 /nfs/dbraw/zinc/87/26/30/560872630.db2.gz HUUONVRFQOGRIW-HSZRJFAPSA-N 0 3 420.536 3.510 40 0 HHABHN Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369646 560872844 /nfs/dbraw/zinc/87/28/44/560872844.db2.gz HYJAHYVZMPGRSB-QHCPKHFHSA-N 0 3 420.536 3.510 40 0 HHABHN CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(C2CCCCC2)CC1 ZINC000020140101 560881284 /nfs/dbraw/zinc/88/12/84/560881284.db2.gz LIXOOWRARNKVII-NRFANRHFSA-N 0 3 414.573 3.997 40 0 HHABHN COc1ccc(N2OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000004599040 560898540 /nfs/dbraw/zinc/89/85/40/560898540.db2.gz DMTLHMBJHHIBLA-YPAWHYETSA-N 0 3 418.424 3.885 40 0 HHABHN CN1CCC(Oc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1 ZINC000219234946 568488266 /nfs/dbraw/zinc/48/82/66/568488266.db2.gz WQDJDOCKKDCVRU-UHFFFAOYSA-N 0 3 407.514 3.534 40 0 HHABHN CN(C)CCN(Cc1ccc(OCc2ccc3c(c2)OCO3)cc1)Cc1cccnc1 ZINC000022931642 568500848 /nfs/dbraw/zinc/50/08/48/568500848.db2.gz ACBHQAWFUCCTKM-UHFFFAOYSA-N 0 3 419.525 3.953 40 0 HHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000223278435 568543767 /nfs/dbraw/zinc/54/37/67/568543767.db2.gz CGEKLCCIYNRTRZ-NHCUHLMSSA-N 0 3 409.534 3.546 40 0 HHABHN O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000225237484 568624953 /nfs/dbraw/zinc/62/49/53/568624953.db2.gz UEAJFDAGHUQASI-QHCPKHFHSA-N 0 3 414.505 3.815 40 0 HHABHN COc1cccc(OC)c1CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225903794 568684734 /nfs/dbraw/zinc/68/47/34/568684734.db2.gz PWJNIKHYOYMALU-QGZVFWFLSA-N 0 3 402.922 3.886 40 0 HHABHN Cn1c(C(=O)NC[C@H]2CC3(CCN(Cc4ccsc4)CC3)O2)cc2ccccc21 ZINC000248095645 568747511 /nfs/dbraw/zinc/74/75/11/568747511.db2.gz XYGAKLCRZGYJAU-LJQANCHMSA-N 0 3 409.555 3.793 40 0 HHABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257201018 568776316 /nfs/dbraw/zinc/77/63/16/568776316.db2.gz AFVHOGQASGWDEB-KRWDZBQOSA-N 0 3 418.538 3.793 40 0 HHABHN CC(C)[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257268406 568795105 /nfs/dbraw/zinc/79/51/05/568795105.db2.gz MLNRUYBAEPZGMK-WLZDQVHRSA-N 0 3 406.954 3.789 40 0 HHABHN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)CN3CCCCCC3)C2)o1 ZINC000257303015 568805241 /nfs/dbraw/zinc/80/52/41/568805241.db2.gz SFKYWEZZMHWHRD-FQEVSTJZSA-N 0 3 411.546 3.856 40 0 HHABHN Cc1cc(C)cc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306126521 568889278 /nfs/dbraw/zinc/88/92/78/568889278.db2.gz DYHOOFSIIXGVKI-NRFANRHFSA-N 0 3 405.546 3.562 40 0 HHABHN COc1ccc(CN2CCC3(CC2)Nc2ccc(OC)nc2-n2c(C)ncc23)cc1 ZINC000306141643 568903257 /nfs/dbraw/zinc/90/32/57/568903257.db2.gz WCTRTIAMYFJMNH-UHFFFAOYSA-N 0 3 405.502 3.510 40 0 HHABHN COC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218589321 568938416 /nfs/dbraw/zinc/93/84/16/568938416.db2.gz QZBLKSMVNIQJEB-SQNIBIBYSA-N 0 3 400.327 3.525 40 0 HHABHN CN(C)CCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329032255 568973803 /nfs/dbraw/zinc/97/38/03/568973803.db2.gz QNVLJDZTIDLUNH-UHFFFAOYSA-N 0 3 401.436 3.723 40 0 HHABHN O=C1CCC[C@]2(CN(Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2ccccc2)N1 ZINC000019373758 569124760 /nfs/dbraw/zinc/12/47/60/569124760.db2.gz JIAPSXVQHLSKMU-WIOPSUGQSA-N 0 3 414.509 3.907 40 0 HHABHN CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccn2)CC1 ZINC000019700483 569347207 /nfs/dbraw/zinc/34/72/07/569347207.db2.gz ZWMKXWAEJHONAA-UHFFFAOYSA-N 0 3 400.526 3.715 40 0 HHABHN COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044908582 569352113 /nfs/dbraw/zinc/35/21/13/569352113.db2.gz VOONAAFNEOAFQK-MJGOQNOKSA-N 0 3 400.494 3.630 40 0 HHABHN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000018163683 569385131 /nfs/dbraw/zinc/38/51/31/569385131.db2.gz XIRGTAFIESYEAK-FSSWDIPSSA-N 0 3 418.424 3.885 40 0 HHABHN Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635402 961580889 /nfs/dbraw/zinc/58/08/89/961580889.db2.gz AYGHCTXWNNSNGU-ZCNNSNEGSA-N 0 3 404.514 3.596 40 0 biogenic,in-vitro HHABHN COc1ccc2c(c1)nc(C)cc2N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000001612264 537015081 /nfs/dbraw/zinc/01/50/81/537015081.db2.gz KJEQBZTYDWUTMM-UHFFFAOYSA-N 0 3 402.709 3.571 40 0 HHABHN Cc1cc2c(cc1Cl)SC(NNC(=N)c1ccc(Cl)cc1)=NS2(=O)=O ZINC000001645195 557278549 /nfs/dbraw/zinc/27/85/49/557278549.db2.gz HULABASVAFSTPH-UHFFFAOYSA-N 0 3 415.327 3.572 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000011582404 558264265 /nfs/dbraw/zinc/26/42/65/558264265.db2.gz AWYACEIVBOFBHB-FSSWDIPSSA-N 0 3 418.424 3.885 40 0 HHABHN Cc1nn(C)c2nc(C3CCN(C(=O)[C@H](c4ccccc4)N4CCCC4)CC3)ccc12 ZINC000019744723 558265224 /nfs/dbraw/zinc/26/52/24/558265224.db2.gz GFBVFXZVCBBEKU-QHCPKHFHSA-N 0 3 417.557 3.820 40 0 HHABHN C[C@H]1C[C@H](C)CN(CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000012182210 558343212 /nfs/dbraw/zinc/34/32/12/558343212.db2.gz HAFYLKNECXTJLO-SAKMYQHLSA-N 0 3 418.994 3.879 40 0 HHABHN O=c1[nH]c2c(cc1CN[C@H]1CCCOC1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000012186501 558345721 /nfs/dbraw/zinc/34/57/21/558345721.db2.gz GDPSTOBREOTQPA-IBGZPJMESA-N 0 3 418.472 3.789 40 0 HHABHN COc1ccc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)cc1Cn1cccn1 ZINC000012251853 558362478 /nfs/dbraw/zinc/36/24/78/558362478.db2.gz IXPSJKBAGQGLFI-DEOSSOPVSA-N 0 3 409.505 3.953 40 0 HHABHN CCn1cc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c2ccccc21 ZINC000012293285 558366502 /nfs/dbraw/zinc/36/65/02/558366502.db2.gz JFUABABIVMGFJS-GOTSBHOMSA-N 0 3 422.525 3.751 40 0 HHABHN CC(=O)N1Cc2ccccc2O[C@]2(CCCN(CCC(=O)c3ccccc3)CC2)C1 ZINC000012366023 558388295 /nfs/dbraw/zinc/38/82/95/558388295.db2.gz GAXPLFXYLKUGRH-VWLOTQADSA-N 0 3 406.526 3.925 40 0 HHABHN COc1ccccc1N1CCN(C(=O)c2ccc(CN3CCC(C)CC3)cc2)CC1 ZINC000030753789 558736440 /nfs/dbraw/zinc/73/64/40/558736440.db2.gz MHTMQEYVOASAFQ-UHFFFAOYSA-N 0 3 407.558 3.890 40 0 HHABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C1=O ZINC000100896844 558800990 /nfs/dbraw/zinc/80/09/90/558800990.db2.gz MCEWVEMNJCRCNB-BDTNDASRSA-N 0 3 400.434 3.752 40 0 HHABHN Cc1cc(C)n(-c2cccc(CN(CCCN3CCOCC3)Cc3cccnc3)c2)n1 ZINC000036740087 558801581 /nfs/dbraw/zinc/80/15/81/558801581.db2.gz YFTPCOSCHDNGLW-UHFFFAOYSA-N 0 3 419.573 3.609 40 0 HHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000100901291 558802291 /nfs/dbraw/zinc/80/22/91/558802291.db2.gz RAXYROGTNMRWJD-VSKRKVRLSA-N 0 3 400.434 3.752 40 0 HHABHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000040106309 558824394 /nfs/dbraw/zinc/82/43/94/558824394.db2.gz QVBNLLTVAPYTGH-ULQDDVLXSA-N 0 3 420.600 3.926 40 0 HHABHN CN1CCC(N(C[C@H]2CCCO2)C(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000019082406 558840153 /nfs/dbraw/zinc/84/01/53/558840153.db2.gz SWUKBEDKZRBBQR-FUHWJXTLSA-N 0 3 403.567 3.541 40 0 HHABHN Cc1cc2c(cc1Br)[C@H](O)[C@](CN1CCCCC1)(N1CCCCC1)CO2 ZINC000019203057 558847617 /nfs/dbraw/zinc/84/76/17/558847617.db2.gz PRCHEBOJKXRRQR-LEWJYISDSA-N 0 3 423.395 3.894 40 0 HHABHN Cc1sc2ncn(CC3(O)CCN(Cc4ccc(C)c(C)c4)CC3)c(=O)c2c1C ZINC000019213943 558849414 /nfs/dbraw/zinc/84/94/14/558849414.db2.gz AMJXADOIFBBOEA-UHFFFAOYSA-N 0 3 411.571 3.719 40 0 HHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3c[nH]c4ccc(C)cc43)CC1)O2 ZINC000019220550 558851863 /nfs/dbraw/zinc/85/18/63/558851863.db2.gz CKAVJTDNQINBCN-XZOQPEGZSA-N 0 3 422.525 3.869 40 0 HHABHN Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3cccc(OC[C@H]4CCCO4)c3)C[C@@H]21 ZINC000019237871 558856908 /nfs/dbraw/zinc/85/69/08/558856908.db2.gz YOPIMSVARWYOCN-BQXRJHOYSA-N 0 3 408.542 3.677 40 0 HHABHN Cc1ccnn1Cc1cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)c2ccccc2n1 ZINC000019238535 558857505 /nfs/dbraw/zinc/85/75/05/558857505.db2.gz LATOOILCRJSQEU-LJQANCHMSA-N 0 3 405.546 3.638 40 0 HHABHN CC[C@@H]1CCCCN1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000019500957 558898765 /nfs/dbraw/zinc/89/87/65/558898765.db2.gz MOCJEIJGQSQJSH-CEXWTWQISA-N 0 3 402.539 3.651 40 0 HHABHN CCCN1CCN(CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503258 558900396 /nfs/dbraw/zinc/90/03/96/558900396.db2.gz XTLXJQFAZNSOPN-XMMPIXPASA-N 0 3 419.569 3.808 40 0 HHABHN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000019553976 558916969 /nfs/dbraw/zinc/91/69/69/558916969.db2.gz JAKOLGSQPJGUKP-DNQXCXABSA-N 0 3 416.525 3.730 40 0 HHABHN COc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019565083 558925322 /nfs/dbraw/zinc/92/53/22/558925322.db2.gz FKYXMOBZXJQLRN-IBGZPJMESA-N 0 3 418.545 3.855 40 0 HHABHN CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2ccncc2)C1 ZINC000019579614 558935303 /nfs/dbraw/zinc/93/53/03/558935303.db2.gz ISVYJMHVJDOTIN-DEOSSOPVSA-N 0 3 404.514 3.650 40 0 HHABHN C[C@@H](CN(C)C)Nc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072340126 558938783 /nfs/dbraw/zinc/93/87/83/558938783.db2.gz CQLGYNHFBWCWAS-KRWDZBQOSA-N 0 3 420.536 3.598 40 0 HHABHN COc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000019654693 558948017 /nfs/dbraw/zinc/94/80/17/558948017.db2.gz DKNPYOUUMPPEPA-QGZVFWFLSA-N 0 3 410.514 3.556 40 0 HHABHN Cc1cc(NCCNC(=O)c2cccc(N3CCOCC3)c2C)c2ccccc2n1 ZINC000019664099 558954613 /nfs/dbraw/zinc/95/46/13/558954613.db2.gz VJCHUMAVOUDOHZ-UHFFFAOYSA-N 0 3 404.514 3.530 40 0 HHABHN Cc1c(-c2cc(C(=O)NC(C)(C)CN3CCCCC3)c3ccccc3n2)cnn1C ZINC000019716497 558978545 /nfs/dbraw/zinc/97/85/45/558978545.db2.gz LYPLVZNRCJBTQI-UHFFFAOYSA-N 0 3 405.546 3.938 40 0 HHABHN CN(CCc1ccccc1)c1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[n-]1 ZINC000019717519 558980280 /nfs/dbraw/zinc/98/02/80/558980280.db2.gz IVUCUDXXWKSHAC-UHFFFAOYSA-N 0 3 403.530 3.636 40 0 HHABHN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099819 559024479 /nfs/dbraw/zinc/02/44/79/559024479.db2.gz CWGVABKPIOYAMF-NRFANRHFSA-N 0 3 402.564 3.912 40 0 HHABHN COc1ccc(F)c(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccncc4)[C@H]3C2)c1 ZINC000585109514 559029343 /nfs/dbraw/zinc/02/93/43/559029343.db2.gz ANJYFLHCSXXERP-WPFOTENUSA-N 0 3 417.484 3.930 40 0 HHABHN COCCN(C)c1nc(C2CCN(Cc3ccccn3)CC2)cc2c1ncn2C(C)C ZINC000096100032 559095461 /nfs/dbraw/zinc/09/54/61/559095461.db2.gz PZFDLEVYHOOFCR-UHFFFAOYSA-N 0 3 422.577 3.869 40 0 HHABHN COc1cccc(CC(=O)N2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221028 559101988 /nfs/dbraw/zinc/10/19/88/559101988.db2.gz YCNXFWRTTVANLL-QFIPXVFZSA-N 0 3 408.542 3.520 40 0 HHABHN O[C@]1(COc2ccccc2)CCCN(Cc2cccc(OCCCn3cccn3)c2)C1 ZINC000585272878 559117148 /nfs/dbraw/zinc/11/71/48/559117148.db2.gz KDXYGZVSLGMWDX-RUZDIDTESA-N 0 3 421.541 3.758 40 0 HHABHN CO[C@@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274149 559118516 /nfs/dbraw/zinc/11/85/16/559118516.db2.gz SPJVIOVOVCZZKJ-DEOSSOPVSA-N 0 3 414.521 3.700 40 0 HHABHN CC(=O)N1CCN([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585287814 559123184 /nfs/dbraw/zinc/12/31/84/559123184.db2.gz SKJPRTLAPGBYKZ-ZILOHOTNSA-N 0 3 420.569 3.705 40 0 HHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)cc2)CC1 ZINC000017090937 560865693 /nfs/dbraw/zinc/86/56/93/560865693.db2.gz HAQJPFOOXJNUJT-UHFFFAOYSA-N 0 3 416.978 3.917 40 0 HHABHN Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019372827 560872530 /nfs/dbraw/zinc/87/25/30/560872530.db2.gz ILQWFWXLDPQQGC-HSZRJFAPSA-N 0 3 420.536 3.510 40 0 HHABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCc3ccccc3F)o2)c1 ZINC000022108545 568475440 /nfs/dbraw/zinc/47/54/40/568475440.db2.gz AMJNXSZXHJWCEN-UHFFFAOYSA-N 0 3 411.429 3.991 40 0 HHABHN COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(C)cc4)CC3)n2)cc1 ZINC000219408697 568491329 /nfs/dbraw/zinc/49/13/29/568491329.db2.gz DUXITPXDPVTKCP-UHFFFAOYSA-N 0 3 420.513 3.582 40 0 HHABHN c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929086 568501355 /nfs/dbraw/zinc/50/13/55/568501355.db2.gz LCMIHKBQIHOPMQ-XMMPIXPASA-N 0 3 416.573 3.761 40 0 HHABHN COC(=O)c1cc(NC(=S)NCCCN2CCc3ccccc3C2)ccc1Cl ZINC000225743399 568670601 /nfs/dbraw/zinc/67/06/01/568670601.db2.gz KMVOEJAXQSOFAH-UHFFFAOYSA-N 0 3 417.962 3.861 40 0 HHABHN Cc1cncc([C@@H]2CCCN(C(=O)C3(Cc4cccc(F)c4)CCN(C)CC3)C2)n1 ZINC000257207003 568778102 /nfs/dbraw/zinc/77/81/02/568778102.db2.gz BFVQOBCYTKPKOW-HXUWFJFHSA-N 0 3 410.537 3.585 40 0 HHABHN COc1ccccc1-c1cccc(CC2(C(=O)NC3CCN(C)CC3)CCOCC2)c1 ZINC000257224779 568783352 /nfs/dbraw/zinc/78/33/52/568783352.db2.gz FDHXOTMVBSMNJG-UHFFFAOYSA-N 0 3 422.569 3.912 40 0 HHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CCn3ccccc3=O)C2)n1 ZINC000257224534 568783400 /nfs/dbraw/zinc/78/34/00/568783400.db2.gz FCFCMMUICVZZEC-GOSISDBHSA-N 0 3 420.488 3.841 40 0 HHABHN COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)CN4CCCCCC4)C3)o2)c1 ZINC000257252386 568790938 /nfs/dbraw/zinc/79/09/38/568790938.db2.gz JUQPIXFOWLQNGF-FQEVSTJZSA-N 0 3 411.546 3.856 40 0 HHABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccc(F)c3)CC2)C1 ZINC000306134510 568896489 /nfs/dbraw/zinc/89/64/89/568896489.db2.gz NPKTYADGULHNIR-UHFFFAOYSA-N 0 3 409.484 3.660 40 0 HHABHN CCOC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218611158 568939719 /nfs/dbraw/zinc/93/97/19/568939719.db2.gz COKOVRNILPZULJ-QYZOEREBSA-N 0 3 414.354 3.915 40 0 HHABHN CN(C)CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329017940 568972890 /nfs/dbraw/zinc/97/28/90/568972890.db2.gz NNYLXPBDPVVIGT-UHFFFAOYSA-N 0 3 419.426 3.862 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)c1 ZINC000100165701 569012823 /nfs/dbraw/zinc/01/28/23/569012823.db2.gz WTVQUSKAZVHUDT-VSKRKVRLSA-N 0 3 418.424 3.885 40 0 HHABHN COc1ccc(-n2ncc(CNC(C)=O)c2[C@H]2CCN(Cc3ccc(F)cc3)C2)cc1 ZINC000019707859 569348110 /nfs/dbraw/zinc/34/81/10/569348110.db2.gz IDKHFSWGXKIFFL-IBGZPJMESA-N 0 3 422.504 3.646 40 0 HHABHN COc1ccc([C@H]2C[C@@H](NCc3cnc(C)s3)CC[C@]23CCC(=O)N3)cc1OC ZINC000019740348 569348688 /nfs/dbraw/zinc/34/86/88/569348688.db2.gz RIAPSMNQPJOYMX-CECAUBDESA-N 0 3 415.559 3.543 40 0 HHABHN CC1CC[NH+](Cc2cccc(NC(=O)c3cc(=O)[n-]c(-c4ccccc4)n3)c2)CC1 ZINC000141563539 569354852 /nfs/dbraw/zinc/35/48/52/569354852.db2.gz DYLKNTRPBKQONV-UHFFFAOYSA-N 0 3 402.498 3.921 40 0 HHABHN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000328965503 571307853 /nfs/dbraw/zinc/30/78/53/571307853.db2.gz CDFATUJYOHNKSX-UHFFFAOYSA-N 0 3 423.361 4.420 40 0 HHABHN CC(C)NC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635879 291248425 /nfs/dbraw/zinc/24/84/25/291248425.db2.gz RLPUFHVINSHECO-UHOSZYNNSA-N 0 3 400.498 3.539 40 0 biogenic,in-vitro HHABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(COc4ccccn4)CC3)ccc21 ZINC000012326740 132358754 /nfs/dbraw/zinc/35/87/54/132358754.db2.gz OEMUZMKKFNTWNS-QHCPKHFHSA-N 0 3 423.557 3.595 40 0 HHABHN COc1cc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000044917564 522408050 /nfs/dbraw/zinc/40/80/50/522408050.db2.gz IXZFGZWQGURMFJ-UHFFFAOYSA-N 0 3 412.530 3.549 40 0 HHABHN COc1ccc(CN2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cc1 ZINC000019741478 558262070 /nfs/dbraw/zinc/26/20/70/558262070.db2.gz ARAYZCKCSXBHNE-FQEVSTJZSA-N 0 3 420.557 3.862 40 0 HHABHN CN(C)CCOc1ccccc1NC(=O)[C@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000019748012 558267146 /nfs/dbraw/zinc/26/71/46/558267146.db2.gz YXOQESBADNPTAU-HNNXBMFYSA-N 0 3 422.451 3.506 40 0 HHABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c1 ZINC000012330063 558384779 /nfs/dbraw/zinc/38/47/79/558384779.db2.gz DYLPIXXLTYEVHB-VQTJNVASSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012329924 558384864 /nfs/dbraw/zinc/38/48/64/558384864.db2.gz TYEDVSCINYRXPT-VQTJNVASSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)C[C@H]2O ZINC000012330248 558385182 /nfs/dbraw/zinc/38/51/82/558385182.db2.gz OVCVEWHEMTXRCE-DNQXCXABSA-N 0 3 423.553 3.958 40 0 HHABHN CCOc1ccc(NC(=O)OCCN2CCN(CCc3ccccc3)[C@H](C)C2)cc1 ZINC000022584227 558500003 /nfs/dbraw/zinc/50/00/03/558500003.db2.gz HQNZUJSOBUCFOS-HXUWFJFHSA-N 0 3 411.546 3.883 40 0 HHABHN COc1cc(CNC(C)C)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000036612789 558727988 /nfs/dbraw/zinc/72/79/88/558727988.db2.gz SEAXIMHYFYVIBZ-UHFFFAOYSA-N 0 3 421.335 3.651 40 0 HHABHN CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCCn3ccnc3)cc12 ZINC000036740453 558801684 /nfs/dbraw/zinc/80/16/84/558801684.db2.gz SLMUTQQUKUZSIS-UHFFFAOYSA-N 0 3 422.508 3.527 40 0 HHABHN O=C(CC1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000039964010 558822998 /nfs/dbraw/zinc/82/29/98/558822998.db2.gz RJJOUPOTFAZKSB-LJQANCHMSA-N 0 3 404.401 3.885 40 0 HHABHN Cc1ccccc1OC[C@H]1CCCN(C(=O)C2CCN(CCc3ccccn3)CC2)C1 ZINC000019237338 558856509 /nfs/dbraw/zinc/85/65/09/558856509.db2.gz AORFESIFKMXUBY-QFIPXVFZSA-N 0 3 421.585 3.962 40 0 HHABHN Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3cccc(OC[C@@H]4CCCO4)c3)C[C@@H]21 ZINC000019237869 558856957 /nfs/dbraw/zinc/85/69/57/558856957.db2.gz YOPIMSVARWYOCN-KUVYTWDVSA-N 0 3 408.542 3.677 40 0 HHABHN Fc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019333959 558869123 /nfs/dbraw/zinc/86/91/23/558869123.db2.gz APDWSLHLGXIDTD-GOSISDBHSA-N 0 3 406.509 3.986 40 0 HHABHN COc1cccc(CN2CCCC[C@H]3CN(C(=O)c4cccc(OC)c4OC)C[C@H]32)c1 ZINC000072330687 558935076 /nfs/dbraw/zinc/93/50/76/558935076.db2.gz OATGKBZYMLUBFK-SIKLNZKXSA-N 0 3 424.541 3.839 40 0 HHABHN COc1cccc(-c2cccc(C[C@@H]3CN(Cc4cccnc4)CCN(C)C3=O)c2)c1 ZINC000019589527 558940418 /nfs/dbraw/zinc/94/04/18/558940418.db2.gz KJMKAEMRRGUZGW-XMMPIXPASA-N 0 3 415.537 3.890 40 0 HHABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000072345942 558942405 /nfs/dbraw/zinc/94/24/05/558942405.db2.gz MQZSXQHLXKXXQN-SFHVURJKSA-N 0 3 421.932 3.858 40 0 HHABHN COc1ccc(CN2CCCN(c3ccccn3)CC2)cc1Cc1c(C)n[nH]c1C ZINC000019658397 558950499 /nfs/dbraw/zinc/95/04/99/558950499.db2.gz LMYIIGPLMWHDRR-UHFFFAOYSA-N 0 3 405.546 3.733 40 0 HHABHN CCn1cc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 ZINC000019694183 558962562 /nfs/dbraw/zinc/96/25/62/558962562.db2.gz AGZWOUUGVQGDPB-LJQANCHMSA-N 0 3 408.525 3.945 40 0 HHABHN Cc1ncc(CN2CCC(c3nc(-c4ccccc4)c(C(=O)N(C)C)[nH]3)CC2)s1 ZINC000019698856 558966389 /nfs/dbraw/zinc/96/63/89/558966389.db2.gz RFULUXUGMPTFFI-UHFFFAOYSA-N 0 3 409.559 3.923 40 0 HHABHN Cc1nc([C@H]2CCCN(C3CCOCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706626 558968976 /nfs/dbraw/zinc/96/89/76/558968976.db2.gz VCTGOWXLGHTHOE-FQEVSTJZSA-N 0 3 421.589 3.534 40 0 HHABHN Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4cccc(Oc5ncccn5)c4)C[C@H]32)nc1 ZINC000072392569 558972467 /nfs/dbraw/zinc/97/24/67/558972467.db2.gz LYNGVJMJSWPJFI-LEEZEASISA-N 0 3 402.498 3.702 40 0 HHABHN Cc1n[nH]c(C)c1CC(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393396 558972970 /nfs/dbraw/zinc/97/29/70/558972970.db2.gz YRQVILKKMMEKJK-UHFFFAOYSA-N 0 3 414.981 3.925 40 0 HHABHN O=C(COc1cccnc1)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393397 558973031 /nfs/dbraw/zinc/97/30/31/558973031.db2.gz LPRHXWPFSGBLKW-UHFFFAOYSA-N 0 3 413.949 3.816 40 0 HHABHN O=C(CCCn1ccnc1)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 ZINC000072393513 558973051 /nfs/dbraw/zinc/97/30/51/558973051.db2.gz KNRDCILLXPWEFY-UHFFFAOYSA-N 0 3 412.553 3.895 40 0 HHABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000072398627 558976230 /nfs/dbraw/zinc/97/62/30/558976230.db2.gz HOILGRASXBMNSQ-CVDCTZTESA-N 0 3 404.489 3.999 40 0 HHABHN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)c12 ZINC000019716311 558978119 /nfs/dbraw/zinc/97/81/19/558978119.db2.gz GCLKCJSKZBWXQT-UHFFFAOYSA-N 0 3 407.518 3.702 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000095396968 559081041 /nfs/dbraw/zinc/08/10/41/559081041.db2.gz BBDZXTPMYXECLD-AQNXPRMDSA-N 0 3 406.463 3.808 40 0 HHABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)o1 ZINC000096052805 559092466 /nfs/dbraw/zinc/09/24/66/559092466.db2.gz IXBOVYWEGFQYAN-FQEVSTJZSA-N 0 3 408.542 3.858 40 0 HHABHN Cc1noc(C)c1CN1CCC2(C[C@@H](CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000096052810 559092492 /nfs/dbraw/zinc/09/24/92/559092492.db2.gz JHSGVQYPGDLFEB-HXUWFJFHSA-N 0 3 423.557 3.561 40 0 HHABHN CN(C)c1cccc(C(=O)N2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC000096220998 559101975 /nfs/dbraw/zinc/10/19/75/559101975.db2.gz YFDXUBDBONWDTJ-HSZRJFAPSA-N 0 3 407.558 3.648 40 0 HHABHN Cc1ccn(CCOc2ccc(CN3CCC[C@@](O)(COc4ccccc4)C3)cc2)n1 ZINC000585273668 559118417 /nfs/dbraw/zinc/11/84/17/559118417.db2.gz QIRVOMFMNLRHPE-VWLOTQADSA-N 0 3 421.541 3.676 40 0 HHABHN Cc1ccn(CCOc2ccc(CN3CCC[C@](O)(COc4ccccc4)C3)cc2)n1 ZINC000585273665 559118423 /nfs/dbraw/zinc/11/84/23/559118423.db2.gz QIRVOMFMNLRHPE-RUZDIDTESA-N 0 3 421.541 3.676 40 0 HHABHN CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2ccccc2)C1 ZINC000585282366 559120079 /nfs/dbraw/zinc/12/00/79/559120079.db2.gz IIMQOIWBJQLPKL-GNKBHMEESA-N 0 3 422.569 3.687 40 0 HHABHN O[C@H]1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585287251 559122323 /nfs/dbraw/zinc/12/23/23/559122323.db2.gz LMZYDLLUAVKEGB-MWYJAUPDSA-N 0 3 417.496 3.868 40 0 HHABHN CCN1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070462 559272807 /nfs/dbraw/zinc/27/28/07/559272807.db2.gz HKADMSCDXVRMBS-OAQYLSRUSA-N 0 3 420.638 3.675 40 0 HHABHN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCN(C)C)CCOCC2)cc1 ZINC000257225754 559283765 /nfs/dbraw/zinc/28/37/65/559283765.db2.gz FHQCKAHGCMBSTB-UHFFFAOYSA-N 0 3 414.521 3.518 40 0 HHABHN Cc1ccc(Cl)c(OC[C@@]2(O)CN(Cc3ccc4[nH]ccc4c3)CC[C@@H]2O)c1 ZINC000257251945 559284494 /nfs/dbraw/zinc/28/44/94/559284494.db2.gz JSYHWKAXYWUHGF-VXKWHMMOSA-N 0 3 400.906 3.506 40 0 HHABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000257292533 559285787 /nfs/dbraw/zinc/28/57/87/559285787.db2.gz QLYZHJMZBNLHAZ-OAQYLSRUSA-N 0 3 408.498 3.541 40 0 HHABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000257292532 559285794 /nfs/dbraw/zinc/28/57/94/559285794.db2.gz QLYZHJMZBNLHAZ-NRFANRHFSA-N 0 3 408.498 3.541 40 0 HHABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000880613 560539701 /nfs/dbraw/zinc/53/97/01/560539701.db2.gz IPIBARGJNCNDEL-UHFFFAOYSA-N 0 3 424.570 3.606 40 0 HHABHN CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000019446041 560873070 /nfs/dbraw/zinc/87/30/70/560873070.db2.gz BJJOTOMTWWBPGZ-OAQYLSRUSA-N 0 3 400.546 3.508 40 0 HHABHN COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(C)c2OC)C1 ZINC000057774147 568497283 /nfs/dbraw/zinc/49/72/83/568497283.db2.gz KWNXCXWEGLHDPT-XXBNENTESA-N 0 3 411.546 3.505 40 0 HHABHN CNC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225487818 568642292 /nfs/dbraw/zinc/64/22/92/568642292.db2.gz NGOZFDNMCUBBFP-UHFFFAOYSA-N 0 3 400.526 3.540 40 0 HHABHN CCOC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1C ZINC000225743580 568670529 /nfs/dbraw/zinc/67/05/29/568670529.db2.gz HHOUOIUOWBBJBS-UHFFFAOYSA-N 0 3 411.571 3.907 40 0 HHABHN CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 ZINC000257255653 568791921 /nfs/dbraw/zinc/79/19/21/568791921.db2.gz KIIQLTKZCLAFRA-UHFFFAOYSA-N 0 3 417.579 3.603 40 0 HHABHN CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257261899 568793312 /nfs/dbraw/zinc/79/33/12/568793312.db2.gz LJFVKUHDSAJNAO-GOSISDBHSA-N 0 3 402.564 3.818 40 0 HHABHN Fc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306129222 568891803 /nfs/dbraw/zinc/89/18/03/568891803.db2.gz HXUPPDKZTIXUNO-QHCPKHFHSA-N 0 3 407.445 3.593 40 0 HHABHN COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccc(OC)cc4)cnc2CO3)cc1 ZINC000306134184 568896124 /nfs/dbraw/zinc/89/61/24/568896124.db2.gz NFHLWUGJROZSOP-XMMPIXPASA-N 0 3 405.498 3.742 40 0 HHABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccc(F)cc4)CC2)CN(C)C3)cc1 ZINC000306135434 568897172 /nfs/dbraw/zinc/89/71/72/568897172.db2.gz OQMQACZSVDEPOW-UHFFFAOYSA-N 0 3 421.520 3.530 40 0 HHABHN COc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)cc1 ZINC000306136141 568897905 /nfs/dbraw/zinc/89/79/05/568897905.db2.gz PKMQQOVKSXEHAO-UHFFFAOYSA-N 0 3 421.520 3.530 40 0 HHABHN CCN1CCN(c2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2N)CC1 ZINC000226263917 569278971 /nfs/dbraw/zinc/27/89/71/569278971.db2.gz SVNXLIMWQCEYKR-UHFFFAOYSA-N 0 3 423.344 3.978 40 0 HHABHN Cc1ccc(S(=O)(=O)C2C(=O)N(C)[C@]3(C)C[C@H]2c2cc(Cl)ccc2O3)cc1C ZINC000004315590 569323254 /nfs/dbraw/zinc/32/32/54/569323254.db2.gz WHIZVYGMQDKTLW-DSKINZAPSA-N 0 3 419.930 3.854 40 0 HHABHN CCOc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)O[C@@H](C)C2 ZINC000012135200 569344631 /nfs/dbraw/zinc/34/46/31/569344631.db2.gz SLQLSONPABPDES-UOJYLLJXSA-N 0 3 408.542 3.923 40 0 HHABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cccc(C)c4)[C@H](C)C3)ccc21 ZINC000019235127 569345272 /nfs/dbraw/zinc/34/52/72/569345272.db2.gz OWRKYZZCMGGWSI-KBMIEXCESA-N 0 3 407.558 3.538 40 0 HHABHN CNC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2cnc(C)s2)C1 ZINC000019703582 569347583 /nfs/dbraw/zinc/34/75/83/569347583.db2.gz ADNVGRIJMORDNE-JOCHJYFZSA-N 0 3 410.543 3.596 40 0 HHABHN CC(C)Oc1ccc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3C)cc1Cn1cccn1 ZINC000019713161 569348402 /nfs/dbraw/zinc/34/84/02/569348402.db2.gz RQDMYQDXTOOXRY-FCHUYYIVSA-N 0 3 410.562 3.694 40 0 HHABHN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000020503647 575370186 /nfs/dbraw/zinc/37/01/86/575370186.db2.gz RMMYDTWSPAFUIM-AZUAARDMSA-N 0 3 417.484 3.859 40 0 biogenic,in-vitro HHABHN Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)N[C@H](C(=O)NC2CC2)C3)no1 ZINC000049171904 291256835 /nfs/dbraw/zinc/25/68/35/291256835.db2.gz JDHPDABPTRAOST-SFTDATJTSA-N 0 3 406.530 3.866 40 0 biogenic,in-vitro HHABHN C[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857164 525324048 /nfs/dbraw/zinc/32/40/48/525324048.db2.gz XRYQCUADEOIDAJ-GOSISDBHSA-N 0 3 414.571 3.813 40 0 HHABHN COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000035289926 557673210 /nfs/dbraw/zinc/67/32/10/557673210.db2.gz SFVWCAGQHNRVLV-HSZRJFAPSA-N 0 3 424.593 3.837 40 0 HHABHN Cc1nc([C@@H]2CCN(C3CCOCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753168 558272313 /nfs/dbraw/zinc/27/23/13/558272313.db2.gz ZLNNJQQCWMSVBA-OAHLLOKOSA-N 0 3 400.910 3.659 40 0 HHABHN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(Cc3cccnc3)CC2)cc1 ZINC000019758966 558275274 /nfs/dbraw/zinc/27/52/74/558275274.db2.gz UWWAYYRJJKYUGW-UHFFFAOYSA-N 0 3 419.529 3.531 40 0 HHABHN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)CC1C(=O)Nc1ccccc1F ZINC000019819110 558289331 /nfs/dbraw/zinc/28/93/31/558289331.db2.gz BKHAACMLAJTZOR-HNNXBMFYSA-N 0 3 416.836 3.918 40 0 HHABHN CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000020050401 558328509 /nfs/dbraw/zinc/32/85/09/558328509.db2.gz IZODGBJFWBHWHR-UHFFFAOYSA-N 0 3 409.939 3.806 40 0 HHABHN COc1ccc(CN2CCC(O)(Cn3ccc4nc(Cl)ccc43)CC2)cc1OC ZINC000012163174 558341982 /nfs/dbraw/zinc/34/19/82/558341982.db2.gz LNFCAEXPVYDYHP-UHFFFAOYSA-N 0 3 415.921 3.734 40 0 HHABHN COc1ccc2[nH]c(C)c([C@H](O)CN3CCC4(CC3)C[C@@H](O)c3ccccc3O4)c2c1 ZINC000012329188 558383755 /nfs/dbraw/zinc/38/37/55/558383755.db2.gz UBGJGDAUHGIRSY-FGZHOGPDSA-N 0 3 422.525 3.869 40 0 HHABHN COc1ccc2[nH]c(C)c([C@@H](O)CN3CCC4(CC3)C[C@H](O)c3ccccc3O4)c2c1 ZINC000012329191 558383762 /nfs/dbraw/zinc/38/37/62/558383762.db2.gz UBGJGDAUHGIRSY-VXKWHMMOSA-N 0 3 422.525 3.869 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c[nH]c4cc(C)ccc43)CC1)C[C@H]2O ZINC000012329701 558384565 /nfs/dbraw/zinc/38/45/65/558384565.db2.gz NBQFGPXMSLARDR-DHIUTWEWSA-N 0 3 422.525 3.869 40 0 HHABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c1 ZINC000012330057 558384804 /nfs/dbraw/zinc/38/48/04/558384804.db2.gz DYLPIXXLTYEVHB-WOJBJXKFSA-N 0 3 403.906 3.733 40 0 HHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330259 558385143 /nfs/dbraw/zinc/38/51/43/558385143.db2.gz FBDGYPQGWAGPQE-RPWUZVMVSA-N 0 3 423.553 3.958 40 0 HHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OCC)cc1 ZINC000020634767 558395461 /nfs/dbraw/zinc/39/54/61/558395461.db2.gz XVNYZWVIEPXJFF-FQEVSTJZSA-N 0 3 422.481 3.914 40 0 HHABHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850741 558818853 /nfs/dbraw/zinc/81/88/53/558818853.db2.gz ZHGOXBOKEJTHOV-QFIPXVFZSA-N 0 3 411.977 3.896 40 0 HHABHN Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(Cc4ccccn4)C3)on2)cc1 ZINC000019212270 558848751 /nfs/dbraw/zinc/84/87/51/558848751.db2.gz GKPRDTWFISOCDG-VWLOTQADSA-N 0 3 418.541 3.958 40 0 HHABHN O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3ccncc3)CC[C@@H]21 ZINC000019336206 558870008 /nfs/dbraw/zinc/87/00/08/558870008.db2.gz ZKSKQFRUWCVVTC-HJOGWXRNSA-N 0 3 416.500 3.746 40 0 HHABHN O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1 ZINC000019370396 558878699 /nfs/dbraw/zinc/87/86/99/558878699.db2.gz IKGONPDUUWLZKG-WIOPSUGQSA-N 0 3 400.526 3.789 40 0 HHABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400436 558883096 /nfs/dbraw/zinc/88/30/96/558883096.db2.gz KJUIGHUOUUAGGZ-REWPJTCUSA-N 0 3 409.505 3.751 40 0 HHABHN C[C@@H](CN(C)C)Nc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019455933 558891857 /nfs/dbraw/zinc/89/18/57/558891857.db2.gz WYPJNLCHGCWSPM-KRWDZBQOSA-N 0 3 420.536 3.598 40 0 HHABHN COc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000019563112 558923533 /nfs/dbraw/zinc/92/35/33/558923533.db2.gz NRPMOWKOMQUZTR-YADHBBJMSA-N 0 3 408.498 3.561 40 0 HHABHN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cc(C)ccc2OC)C1 ZINC000072330771 558935182 /nfs/dbraw/zinc/93/51/82/558935182.db2.gz WRCBTIFPQOLMCF-CYFREDJKSA-N 0 3 411.546 3.505 40 0 HHABHN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cc(CN3CCCC3)c(C)o2)cc1 ZINC000019582505 558937653 /nfs/dbraw/zinc/93/76/53/558937653.db2.gz BKBHCZNNTXCDJL-QHCPKHFHSA-N 0 3 420.513 3.703 40 0 HHABHN COc1ccc2[nH]c(CN3CCC(c4cc(N)n5nc(C)cc5n4)CC3)c(C)c2c1 ZINC000072337311 558937926 /nfs/dbraw/zinc/93/79/26/558937926.db2.gz ZMDCORLREJZCBD-UHFFFAOYSA-N 0 3 404.518 3.798 40 0 HHABHN COc1cccc(CN2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584447 558938397 /nfs/dbraw/zinc/93/83/97/558938397.db2.gz UBJRTOBSXXYWCO-FQEVSTJZSA-N 0 3 403.530 3.993 40 0 HHABHN C[C@H](CN(C)C)Nc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072340127 558938798 /nfs/dbraw/zinc/93/87/98/558938798.db2.gz CQLGYNHFBWCWAS-QGZVFWFLSA-N 0 3 420.536 3.598 40 0 HHABHN CC(=O)NCC1CCC(c2c3ccccc3sc2C(=O)N(C)CCN(C)C)CC1 ZINC000072348373 558945512 /nfs/dbraw/zinc/94/55/12/558945512.db2.gz FIMGWZSYROCIJX-UHFFFAOYSA-N 0 3 415.603 3.945 40 0 HHABHN COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 ZINC000072350401 558947455 /nfs/dbraw/zinc/94/74/55/558947455.db2.gz ORALVAHBQPZTEB-OAQYLSRUSA-N 0 3 407.558 3.729 40 0 HHABHN Cc1cc(NCCNC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc2n1 ZINC000019654793 558948200 /nfs/dbraw/zinc/94/82/00/558948200.db2.gz RKJOTCUYPUMPAS-UHFFFAOYSA-N 0 3 407.489 3.959 40 0 HHABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1cccnc1N(C)C ZINC000072370313 558956790 /nfs/dbraw/zinc/95/67/90/558956790.db2.gz ZKXNQXKSIKYVLJ-KRWDZBQOSA-N 0 3 408.571 3.929 40 0 HHABHN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2CC(=O)N(C)C2CCCCC2)n1 ZINC000072372490 558959930 /nfs/dbraw/zinc/95/99/30/558959930.db2.gz VXRVAPHPEGSZFY-NRFANRHFSA-N 0 3 408.550 3.852 40 0 HHABHN COc1ccc(CN2CCC[C@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000072373012 558960793 /nfs/dbraw/zinc/96/07/93/558960793.db2.gz QUCPNANEXSEAES-NBGIEHNGSA-N 0 3 424.541 3.726 40 0 HHABHN COc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(n[nH]c3NC(C)C)n2)cc1 ZINC000072374500 558962144 /nfs/dbraw/zinc/96/21/44/558962144.db2.gz RGPVCQDCWWXTOT-LJQANCHMSA-N 0 3 408.506 3.562 40 0 HHABHN Cc1nn(C)cc1CN1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019694104 558962323 /nfs/dbraw/zinc/96/23/23/558962323.db2.gz DVUFJNSSIARYGF-SFHVURJKSA-N 0 3 408.525 3.770 40 0 HHABHN Cc1nc2cc(C)ccn2c1CN1CCC[C@@H](c2nc(C)c3c(n2)N(C)CCC3)C1 ZINC000019707034 558969227 /nfs/dbraw/zinc/96/92/27/558969227.db2.gz PCRVWICQLBLPKI-LJQANCHMSA-N 0 3 404.562 3.812 40 0 HHABHN COc1ccc(CN2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 ZINC000072391332 558971375 /nfs/dbraw/zinc/97/13/75/558971375.db2.gz RKPXXPBKAUEWLC-FQEVSTJZSA-N 0 3 403.530 3.993 40 0 HHABHN COc1cccc(-c2n[nH]cc2CN2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c1 ZINC000072395308 558974071 /nfs/dbraw/zinc/97/40/71/558974071.db2.gz QVTINLBUXJPXET-UTSGNWPNSA-N 0 3 404.514 3.518 40 0 HHABHN Cc1c(-c2cc(C(=O)NCC(C)(C)N3CCCCC3)c3ccccc3n2)cnn1C ZINC000019716493 558978513 /nfs/dbraw/zinc/97/85/13/558978513.db2.gz CTNJRNXJWHNXCO-UHFFFAOYSA-N 0 3 405.546 3.938 40 0 HHABHN COCCNC(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053367 559093336 /nfs/dbraw/zinc/09/33/36/559093336.db2.gz OTHXISAPZWYYDT-LJQANCHMSA-N 0 3 414.571 3.802 40 0 HHABHN COc1cccc(CC(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3)c1 ZINC000096215644 559101786 /nfs/dbraw/zinc/10/17/86/559101786.db2.gz SUSOXKBMULWELJ-VWLOTQADSA-N 0 3 408.542 3.761 40 0 HHABHN Cc1cccc(CN2CCC3(CC2)CN(C(=O)c2ccc[nH]2)Cc2ccccc23)n1 ZINC000096242612 559104235 /nfs/dbraw/zinc/10/42/35/559104235.db2.gz XAYJAFZOELMFBH-UHFFFAOYSA-N 0 3 400.526 3.908 40 0 HHABHN CSCC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000585261640 559108991 /nfs/dbraw/zinc/10/89/91/559108991.db2.gz VKAFAOXOFHXYFT-GSFBZFRISA-N 0 3 418.603 3.541 40 0 HHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100569963 559136718 /nfs/dbraw/zinc/13/67/18/559136718.db2.gz AWYACEIVBOFBHB-VSKRKVRLSA-N 0 3 418.424 3.885 40 0 HHABHN C1=N/CCNCC/N=C\c2ccccc2OCc2cccc(n2)COc2ccccc2/1 ZINC000102964156 559153936 /nfs/dbraw/zinc/15/39/36/559153936.db2.gz CPUMPYHWJQXHHV-UKNVNEPJSA-N 0 3 414.509 3.681 40 0 HHABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(C)cc3)cc2c1 ZINC000000880679 560539653 /nfs/dbraw/zinc/53/96/53/560539653.db2.gz PDRNRVIPKHHSEH-UHFFFAOYSA-N 0 3 424.570 3.606 40 0 HHABHN Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCCC2)c2cccc3ccccc32)cc1 ZINC000000895789 560543739 /nfs/dbraw/zinc/54/37/39/560543739.db2.gz NHRFXQSQARCIKK-OAQYLSRUSA-N 0 3 424.566 3.800 40 0 HHABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1C ZINC000004133491 560600529 /nfs/dbraw/zinc/60/05/29/560600529.db2.gz WZECXNZFYSNQTQ-UHFFFAOYSA-N 0 3 422.598 3.583 40 0 HHABHN CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCN1CC ZINC000004217027 560604105 /nfs/dbraw/zinc/60/41/05/560604105.db2.gz QWEDBBDPBOVKBG-FQEVSTJZSA-N 0 3 414.619 3.716 40 0 HHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000223278323 568543745 /nfs/dbraw/zinc/54/37/45/568543745.db2.gz CGEKLCCIYNRTRZ-RTWAWAEBSA-N 0 3 409.534 3.546 40 0 HHABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1Cc1cccnc1 ZINC000223451657 568549273 /nfs/dbraw/zinc/54/92/73/568549273.db2.gz NVPYJXZLAZMMIT-FCHUYYIVSA-N 0 3 412.522 3.835 40 0 HHABHN O=C(Nc1cc(CCC2CCN(Cc3ccncc3)CC2)ccn1)c1ccccn1 ZINC000257211977 568779521 /nfs/dbraw/zinc/77/95/21/568779521.db2.gz CBJOUOCNIZVOPC-UHFFFAOYSA-N 0 3 401.514 3.969 40 0 HHABHN O=C(NCCN1CCCCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257219603 568781837 /nfs/dbraw/zinc/78/18/37/568781837.db2.gz DHJVPJFWKUZUIP-UHFFFAOYSA-N 0 3 407.558 3.690 40 0 HHABHN CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 ZINC000257219740 568781854 /nfs/dbraw/zinc/78/18/54/568781854.db2.gz DHYZESIJVQJYBP-MRXNPFEDSA-N 0 3 423.608 3.583 40 0 HHABHN COc1ccc(CN2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c(C)c1C ZINC000257264311 568794060 /nfs/dbraw/zinc/79/40/60/568794060.db2.gz LTVNMNRMLSCTGJ-OAQYLSRUSA-N 0 3 424.589 3.775 40 0 HHABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N4CCCC4)C3)c2)cc1 ZINC000257289594 568801222 /nfs/dbraw/zinc/80/12/22/568801222.db2.gz PZIPMXBCVAICKD-GOSISDBHSA-N 0 3 400.548 3.572 40 0 HHABHN O=C(CN1CCCC1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000257322047 568811087 /nfs/dbraw/zinc/81/10/87/568811087.db2.gz WEJSQPDNZJOPRP-GHTZIAJQSA-N 0 3 404.938 3.657 40 0 HHABHN c1cc(-c2ccc3nc([C@H]4CCCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306125660 568888407 /nfs/dbraw/zinc/88/84/07/568888407.db2.gz CXFGWGXFCBCPDN-FQEVSTJZSA-N 0 3 413.481 3.900 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4sccc4C)C[C@@H]32)cc1 ZINC000306126313 568889200 /nfs/dbraw/zinc/88/92/00/568889200.db2.gz DSHYZWBZAJXILH-RTWAWAEBSA-N 0 3 407.539 3.948 40 0 HHABHN Cc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306128336 568891123 /nfs/dbraw/zinc/89/11/23/568891123.db2.gz GXOXYEBFXGKTGK-DEOSSOPVSA-N 0 3 403.482 3.762 40 0 HHABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccc3F)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306131373 568893651 /nfs/dbraw/zinc/89/36/51/568893651.db2.gz KCUFCLVHQPOPAK-GBXCKJPGSA-N 0 3 410.537 3.831 40 0 HHABHN c1[nH]nc(-c2ccccc2)c1CN1CCO[C@@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306131951 568894260 /nfs/dbraw/zinc/89/42/60/568894260.db2.gz KTSYEJGMZKFOCG-ZCYQVOJMSA-N 0 3 417.557 3.775 40 0 HHABHN c1cncc(-c2ccc3nc([C@@H]4CCCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306134612 568896610 /nfs/dbraw/zinc/89/66/10/568896610.db2.gz NTMPLAMSDFSABU-HXUWFJFHSA-N 0 3 413.481 3.900 40 0 HHABHN COc1ccc(CN2CCC3(CCn4c3nnc(-c3ccc(C)cc3)c4=O)CC2)cc1 ZINC000306136102 568897868 /nfs/dbraw/zinc/89/78/68/568897868.db2.gz PJEQVWAHXCLKSN-UHFFFAOYSA-N 0 3 416.525 3.560 40 0 HHABHN Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23CN(C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139182 568900768 /nfs/dbraw/zinc/90/07/68/568900768.db2.gz SRMVJUOZJKXZBS-UXEORXRVSA-N 0 3 412.578 3.521 40 0 HHABHN Cc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)s1 ZINC000306140929 568902647 /nfs/dbraw/zinc/90/26/47/568902647.db2.gz VGYFCKFOSPWEFB-UHFFFAOYSA-N 0 3 411.550 3.891 40 0 HHABHN Cc1cc(C)cc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC4CCC4)nc23)c1 ZINC000306141726 568903308 /nfs/dbraw/zinc/90/33/08/568903308.db2.gz WEXCDZBFGZYNIM-UHFFFAOYSA-N 0 3 406.574 3.919 40 0 HHABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(CC)cc1 ZINC000242649008 568968721 /nfs/dbraw/zinc/96/87/21/568968721.db2.gz RQRWOMWEVYHYQF-NJDAHSKKSA-N 0 3 407.963 3.824 40 0 HHABHN CN(C)CCNc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)n1 ZINC000329015876 568972746 /nfs/dbraw/zinc/97/27/46/568972746.db2.gz NDBLIXGAPSMTNH-UHFFFAOYSA-N 0 3 416.367 3.653 40 0 HHABHN Cc1ccc(S(=O)(=O)C2C(=O)N(C)[C@]3(C)C[C@H]2c2cc(Cl)ccc2O3)cc1C ZINC000004315594 569323260 /nfs/dbraw/zinc/32/32/60/569323260.db2.gz WHIZVYGMQDKTLW-CUWPLCDZSA-N 0 3 419.930 3.854 40 0 HHABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000019567729 569345642 /nfs/dbraw/zinc/34/56/42/569345642.db2.gz QUDIYISPMHIWQV-PGRDOPGGSA-N 0 3 409.530 3.578 40 0 HHABHN COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019570232 569345781 /nfs/dbraw/zinc/34/57/81/569345781.db2.gz AUUQDGNDGZBZLJ-HYBUGGRVSA-N 0 3 416.525 3.869 40 0 HHABHN COc1ccc(N2OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000018121883 569383694 /nfs/dbraw/zinc/38/36/94/569383694.db2.gz DMTLHMBJHHIBLA-BHIFYINESA-N 0 3 418.424 3.885 40 0 HHABHN COc1ccc(N2OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000018121883 569383695 /nfs/dbraw/zinc/38/36/95/569383695.db2.gz DMTLHMBJHHIBLA-BHIFYINESA-N 0 3 418.424 3.885 40 0 HHABHN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3Br)C(=O)C2ON1c1ccccc1 ZINC000018189341 569386627 /nfs/dbraw/zinc/38/66/27/569386627.db2.gz JPAGAUXKVTXNOI-KSZLIROESA-N 0 3 415.287 3.928 40 0 HHABHN CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(CCOc2ccc(F)cc2)C1 ZINC000019695999 569428600 /nfs/dbraw/zinc/42/86/00/569428600.db2.gz NWTOHWSGRNQTCM-DEOSSOPVSA-N 0 3 423.488 3.540 40 0 HHABHN Cc1nn(C)cc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1 ZINC000060328762 571315417 /nfs/dbraw/zinc/31/54/17/571315417.db2.gz JHDZMASHNBKTPS-UHFFFAOYSA-N 0 3 403.530 3.943 40 0 in-vitro HHABHN CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(C(C)(C)C)o3)C[C@H]2C(C)C)CC1 ZINC000030883522 291247029 /nfs/dbraw/zinc/24/70/29/291247029.db2.gz POWPUNQHKXLEHK-ACRUOGEOSA-N 0 3 416.610 3.928 40 0 biogenic,in-vitro HHABHN CCN(CC)CCOC(=O)[C@@H](C)Oc1c2ccoc2c(OC)c2oc(C)cc(=O)c12 ZINC000001577798 557273514 /nfs/dbraw/zinc/27/35/14/557273514.db2.gz MUZUSXFFAUEEQN-CQSZACIVSA-N 0 3 417.458 3.509 40 0 HHABHN C[C@]1(CN2CCCC2)COc2c(Br)cc(Br)cc2C1=O ZINC000005531005 557659999 /nfs/dbraw/zinc/65/99/99/557659999.db2.gz AWCBRWNCPIDSSC-HNNXBMFYSA-N 0 3 403.114 3.889 40 0 HHABHN Cc1ccc([C@@H](Cn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)N(C)C)cc1 ZINC000019719978 558258694 /nfs/dbraw/zinc/25/86/94/558258694.db2.gz OPVZKWVHFCEQKP-HSZRJFAPSA-N 0 3 403.530 3.660 40 0 HHABHN Cc1nc(C2CCN(Cc3ccnc4ccccc34)CC2)nc2c1CCC(=O)N2C ZINC000019739495 558260575 /nfs/dbraw/zinc/26/05/75/558260575.db2.gz GARVWNTYGIIHMG-UHFFFAOYSA-N 0 3 401.514 3.622 40 0 HHABHN COC(=O)c1cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc(C(=O)OC)c1 ZINC000020458791 558371476 /nfs/dbraw/zinc/37/14/76/558371476.db2.gz IWARHGIALMDDGT-UHFFFAOYSA-N 0 3 424.497 3.744 40 0 HHABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(C(C)C)cc1 ZINC000020636828 558396112 /nfs/dbraw/zinc/39/61/12/558396112.db2.gz QEBLNBFSYKRZKY-VXKWHMMOSA-N 0 3 419.525 3.575 40 0 HHABHN Cc1cc2nc(C)c(CCC(=O)N[C@@H](CN3CCCCC3)c3ccccc3)c(C)n2n1 ZINC000036752610 558803000 /nfs/dbraw/zinc/80/30/00/558803000.db2.gz DLCOVLUPXBDEKI-QHCPKHFHSA-N 0 3 419.573 3.931 40 0 HHABHN COCCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)n2c3ccccc3nc21 ZINC000039963989 558823065 /nfs/dbraw/zinc/82/30/65/558823065.db2.gz GYCRDQYDYWRDOM-FQEVSTJZSA-N 0 3 406.486 3.606 40 0 HHABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cccc(OCc3ccccn3)c1)C2 ZINC000019291401 558863771 /nfs/dbraw/zinc/86/37/71/558863771.db2.gz ZXQOVDKEGLVHFZ-KEVCNVLYSA-N 0 3 418.541 3.514 40 0 HHABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400439 558883125 /nfs/dbraw/zinc/88/31/25/558883125.db2.gz KJUIGHUOUUAGGZ-NZQKXSOJSA-N 0 3 409.505 3.751 40 0 HHABHN CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2cccnc2)C1 ZINC000019528748 558910047 /nfs/dbraw/zinc/91/00/47/558910047.db2.gz CIEDHDASILZBFN-XMMPIXPASA-N 0 3 404.514 3.698 40 0 HHABHN CCOc1ncc(C2(O)CCN(Cc3cccc4ccccc43)CC2)c(OCC)n1 ZINC000019531741 558912070 /nfs/dbraw/zinc/91/20/70/558912070.db2.gz COGTVJXGAMHACE-UHFFFAOYSA-N 0 3 407.514 3.911 40 0 HHABHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019555125 558917911 /nfs/dbraw/zinc/91/79/11/558917911.db2.gz UKUDXBZGSLXTIS-LJQANCHMSA-N 0 3 418.545 3.855 40 0 HHABHN Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3cccnc3)C3CCN(C)CC3)c2)n1 ZINC000019574487 558932136 /nfs/dbraw/zinc/93/21/36/558932136.db2.gz HDEXESFFAYRXSC-UHFFFAOYSA-N 0 3 417.557 3.680 40 0 HHABHN CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(Cc2ccccn2)C1 ZINC000019591322 558941651 /nfs/dbraw/zinc/94/16/51/558941651.db2.gz LXFWPVDHPDVZRO-RUZDIDTESA-N 0 3 400.526 3.715 40 0 HHABHN Cc1nn(C)cc1CN1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694078 558962283 /nfs/dbraw/zinc/96/22/83/558962283.db2.gz JIZIBNLRUVLXHX-SFHVURJKSA-N 0 3 408.525 3.770 40 0 HHABHN CN1CCC(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(Cl)c2)CC1 ZINC000072377285 558966645 /nfs/dbraw/zinc/96/66/45/558966645.db2.gz KVONCHYDPIBOAE-LJQANCHMSA-N 0 3 413.953 3.775 40 0 HHABHN COc1ccc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4ccncc4)n3)CC2)c(OC)c1 ZINC000072392698 558972409 /nfs/dbraw/zinc/97/24/09/558972409.db2.gz JJGSZOSZTAUOLS-UHFFFAOYSA-N 0 3 406.486 3.641 40 0 HHABHN CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2ccncc2)C1 ZINC000072395946 558974953 /nfs/dbraw/zinc/97/49/53/558974953.db2.gz HHRUONSWPKAVKU-DEOSSOPVSA-N 0 3 404.514 3.698 40 0 HHABHN Cc1ccnn1Cc1cc(C(=O)NC(C)(C)CN2CCCCC2)c2ccccc2n1 ZINC000019716430 558978313 /nfs/dbraw/zinc/97/83/13/558978313.db2.gz OGLKQCQAIWHSBF-UHFFFAOYSA-N 0 3 405.546 3.782 40 0 HHABHN Cc1nn(C)cc1-c1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)[nH]n1 ZINC000019718753 558982156 /nfs/dbraw/zinc/98/21/56/558982156.db2.gz BFEWKXQAVGXJLY-HSZRJFAPSA-N 0 3 420.561 3.774 40 0 HHABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)o1 ZINC000096052932 559092711 /nfs/dbraw/zinc/09/27/11/559092711.db2.gz UTVRVHCNYLINGY-OAQYLSRUSA-N 0 3 421.585 3.773 40 0 HHABHN Cc1ccc(N2CCN(CC(C)C)C3(CCN(Cc4cccs4)CC3)C2=O)cn1 ZINC000096230371 559102983 /nfs/dbraw/zinc/10/29/83/559102983.db2.gz KGRMJSIFHAFEBC-UHFFFAOYSA-N 0 3 412.603 3.791 40 0 HHABHN Cc1noc(C)c1CN1CCC2(CC1)CN(C(=O)c1ccccn1)Cc1ccccc12 ZINC000096242606 559104251 /nfs/dbraw/zinc/10/42/51/559104251.db2.gz VARMYTQVEFBQQY-UHFFFAOYSA-N 0 3 416.525 3.876 40 0 HHABHN Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCn4cccn4)c3)CC2)cc1 ZINC000585274601 559118731 /nfs/dbraw/zinc/11/87/31/559118731.db2.gz XJZFBONYUDJUSO-UHFFFAOYSA-N 0 3 421.541 3.676 40 0 HHABHN Cc1nc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)sc1C ZINC000585293122 559125582 /nfs/dbraw/zinc/12/55/82/559125582.db2.gz XHPASCYGGVMFNG-LNENJAERSA-N 0 3 414.579 3.773 40 0 HHABHN CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCN(C)C)CC1 ZINC000100657923 559137391 /nfs/dbraw/zinc/13/73/91/559137391.db2.gz KYNDQRJSCOYUJO-CALCHBBNSA-N 0 3 401.576 3.603 40 0 HHABHN COc1cccc(-c2cccc(CC3(C(=O)NCCN4CCCC4)CCOCC3)c2)c1 ZINC000257278530 559285257 /nfs/dbraw/zinc/28/52/57/559285257.db2.gz OCPRPLIEWDMZDU-UHFFFAOYSA-N 0 3 422.569 3.914 40 0 HHABHN NC(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257283051 559285362 /nfs/dbraw/zinc/28/53/62/559285362.db2.gz OWOVCPGJLULNDQ-RUZDIDTESA-N 0 3 419.500 3.819 40 0 HHABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000000880601 560539665 /nfs/dbraw/zinc/53/96/65/560539665.db2.gz PSZGWWYOPZQGHM-UHFFFAOYSA-N 0 3 424.570 3.606 40 0 HHABHN Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000880578 560539699 /nfs/dbraw/zinc/53/96/99/560539699.db2.gz HXLKKNIHLFHBRA-UHFFFAOYSA-N 0 3 412.534 3.736 40 0 HHABHN CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCN1CC ZINC000004217032 560604089 /nfs/dbraw/zinc/60/40/89/560604089.db2.gz QWEDBBDPBOVKBG-HXUWFJFHSA-N 0 3 414.619 3.716 40 0 HHABHN COc1cc(CNCc2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540309 560751576 /nfs/dbraw/zinc/75/15/76/560751576.db2.gz ABWIHIPXCFMNLG-UHFFFAOYSA-N 0 3 415.497 3.848 40 0 HHABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(Cl)c1Cl ZINC000008215739 560753325 /nfs/dbraw/zinc/75/33/25/560753325.db2.gz QITJGRQBALNHMF-INIZCTEOSA-N 0 3 402.281 3.939 40 0 HHABHN Cc1c(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000009063123 560757313 /nfs/dbraw/zinc/75/73/13/560757313.db2.gz QQZMDFHXPCEATF-UHFFFAOYSA-N 0 3 418.541 3.644 40 0 HHABHN CC[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000010544197 560770377 /nfs/dbraw/zinc/77/03/77/560770377.db2.gz GXQKMVHBMNIMIU-ZDUSSCGKSA-N 0 3 409.379 3.935 40 0 HHABHN CC[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000010544197 560770379 /nfs/dbraw/zinc/77/03/79/560770379.db2.gz GXQKMVHBMNIMIU-ZDUSSCGKSA-N 0 3 409.379 3.935 40 0 HHABHN Cc1ncn(C23C[C@@H]4C[C@@H](CC(C(=O)NC[C@H](c5ccc(C)cc5)N(C)C)(C4)C2)C3)n1 ZINC000019136424 560871931 /nfs/dbraw/zinc/87/19/31/560871931.db2.gz FQBFIQUSOKGVOO-IOGXQFCESA-N 0 3 421.589 3.610 40 0 HHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC1)O2 ZINC000019219272 560872072 /nfs/dbraw/zinc/87/20/72/560872072.db2.gz MQIIQCGDWOTLOZ-WTOYTKOKSA-N 0 3 409.526 3.703 40 0 HHABHN COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019553405 560873973 /nfs/dbraw/zinc/87/39/73/560873973.db2.gz SIKFFWSOXKRKRA-QHCPKHFHSA-N 0 3 424.593 3.837 40 0 HHABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCc3ccc(OC)cc3)o2)c1 ZINC000022108558 568475349 /nfs/dbraw/zinc/47/53/49/568475349.db2.gz SGGKSCDWZBXEGT-UHFFFAOYSA-N 0 3 423.465 3.861 40 0 HHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000223278269 568543776 /nfs/dbraw/zinc/54/37/76/568543776.db2.gz CGEKLCCIYNRTRZ-SFTDATJTSA-N 0 3 409.534 3.546 40 0 HHABHN CCCOc1ccc(N2C(=O)C[C@H](NCCc3c(C)n(C)c4ccccc34)C2=O)cc1 ZINC000020494681 568615663 /nfs/dbraw/zinc/61/56/63/568615663.db2.gz YBOBIJKMDUJMIZ-QFIPXVFZSA-N 0 3 419.525 3.740 40 0 HHABHN O=C(c1c[nH]nc1[C@H]1CCCN(Cc2ccnc3ccccc23)C1)N1CCCCC1 ZINC000257204127 568777372 /nfs/dbraw/zinc/77/73/72/568777372.db2.gz ATDHUBCHSHJSIP-IBGZPJMESA-N 0 3 403.530 3.964 40 0 HHABHN CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccnc2)CC1 ZINC000257247310 568789540 /nfs/dbraw/zinc/78/95/40/568789540.db2.gz IYJQMHFASJTQKJ-UHFFFAOYSA-N 0 3 400.526 3.715 40 0 HHABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257252784 568791106 /nfs/dbraw/zinc/79/11/06/568791106.db2.gz JWDCIJPBCHNVNX-QGZVFWFLSA-N 0 3 403.486 3.870 40 0 HHABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000257298590 568803954 /nfs/dbraw/zinc/80/39/54/568803954.db2.gz RMJXJENTGXBRFK-JOCHJYFZSA-N 0 3 416.529 3.626 40 0 HHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257307366 568806795 /nfs/dbraw/zinc/80/67/95/568806795.db2.gz SYHZEKWGDCATCU-QGZVFWFLSA-N 0 3 418.538 3.793 40 0 HHABHN Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1 ZINC000257316739 568809163 /nfs/dbraw/zinc/80/91/63/568809163.db2.gz VGTVXUSPXPCGBO-UHFFFAOYSA-N 0 3 422.577 3.894 40 0 HHABHN CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccnc2)CC1 ZINC000257330636 568813474 /nfs/dbraw/zinc/81/34/74/568813474.db2.gz XPGHTXGMDGFCRK-UHFFFAOYSA-N 0 3 400.526 3.715 40 0 HHABHN Cc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306130877 568893416 /nfs/dbraw/zinc/89/34/16/568893416.db2.gz JRTDMISHIWPRKC-DEOSSOPVSA-N 0 3 403.482 3.762 40 0 HHABHN COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306139768 568901555 /nfs/dbraw/zinc/90/15/55/568901555.db2.gz UABCKKAEWHTUOW-XMMPIXPASA-N 0 3 403.482 3.736 40 0 HHABHN CCOC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610782 568939746 /nfs/dbraw/zinc/93/97/46/568939746.db2.gz WQIRXLPCLCLVOB-QYZOEREBSA-N 0 3 414.354 3.915 40 0 HHABHN COC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242648546 568968797 /nfs/dbraw/zinc/96/87/97/568968797.db2.gz QZBLKSMVNIQJEB-RCCFBDPRSA-N 0 3 400.327 3.525 40 0 HHABHN CN(C)CCNc1nc(Nc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328984127 568971288 /nfs/dbraw/zinc/97/12/88/568971288.db2.gz HLSKOTJWBJPIGY-UHFFFAOYSA-N 0 3 417.435 3.603 40 0 HHABHN Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329013996 568972613 /nfs/dbraw/zinc/97/26/13/568972613.db2.gz MTIKVFJBWDRHDD-KRWDZBQOSA-N 0 3 410.440 3.675 40 0 HHABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)cc(Cl)c2OC)CC1 ZINC000226259620 569278721 /nfs/dbraw/zinc/27/87/21/569278721.db2.gz XBQGURNRIJFBFV-UHFFFAOYSA-N 0 3 423.344 3.978 40 0 HHABHN Cc1ccccc1N1OC2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccncc1 ZINC000011582395 569398660 /nfs/dbraw/zinc/39/86/60/569398660.db2.gz XJZAFMJCRHXMSW-QHAWAJNXSA-N 0 3 403.413 3.580 40 0 HHABHN Cn1c2ccccc2c2c1C(=O)N(CCCCN1CCN(c3ccccc3)CC1)CC2 ZINC000001623027 132247142 /nfs/dbraw/zinc/24/71/42/132247142.db2.gz VCJFHCNTZJFPPV-UHFFFAOYSA-N 0 3 416.569 3.779 40 0 HHABHN NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000072345941 527073561 /nfs/dbraw/zinc/07/35/61/527073561.db2.gz MJRWIJIBBXWLRO-SFHVURJKSA-N 0 3 421.932 3.858 40 0 HHABHN Cc1nn(C)c2nc(C3CCN(C(=O)[C@@H](c4ccccc4)N4CCCC4)CC3)ccc12 ZINC000019744725 558265237 /nfs/dbraw/zinc/26/52/37/558265237.db2.gz GFBVFXZVCBBEKU-HSZRJFAPSA-N 0 3 417.557 3.820 40 0 HHABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293686 558366967 /nfs/dbraw/zinc/36/69/67/558366967.db2.gz UWPPSFUFJORMIT-SFTDATJTSA-N 0 3 401.478 3.609 40 0 HHABHN O=c1[nH]c2c(cc1CNC[C@H]1CCCO1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000026440841 558660941 /nfs/dbraw/zinc/66/09/41/558660941.db2.gz ICTSORLSKSUDPJ-HXUWFJFHSA-N 0 3 418.472 3.789 40 0 HHABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C1=O ZINC000100896841 558800942 /nfs/dbraw/zinc/80/09/42/558800942.db2.gz MCEWVEMNJCRCNB-FKBYEOEOSA-N 0 3 400.434 3.752 40 0 HHABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCc3ccncc3)cc12 ZINC000036740446 558801655 /nfs/dbraw/zinc/80/16/55/558801655.db2.gz XIMDEJQBCLGOFW-UHFFFAOYSA-N 0 3 401.514 3.739 40 0 HHABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccc(OCc3ccccc3)cc2)C1 ZINC000038541265 558812722 /nfs/dbraw/zinc/81/27/22/558812722.db2.gz AYJXZURDIOKQON-UNMCSNQZSA-N 0 3 411.546 3.864 40 0 HHABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3ccsc3)C1)O2 ZINC000019019609 558837611 /nfs/dbraw/zinc/83/76/11/558837611.db2.gz UDXSLKIBBDLZKJ-AVRDEDQJSA-N 0 3 400.544 3.778 40 0 HHABHN Cc1ccc([C@@H](C)CCN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1 ZINC000019216299 558850286 /nfs/dbraw/zinc/85/02/86/558850286.db2.gz OIJCEHIRLKTVNK-MBSDFSHPSA-N 0 3 408.546 3.719 40 0 HHABHN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000019498199 558896914 /nfs/dbraw/zinc/89/69/14/558896914.db2.gz OHARHGKLGGCDRI-KHOMTPLRSA-N 0 3 423.557 3.511 40 0 HHABHN CCCC(=O)NCCn1nc(C2CCN(Cc3ccc(F)cc3)CC2)c2cccnc21 ZINC000019501755 558899999 /nfs/dbraw/zinc/89/99/99/558899999.db2.gz IUAAXALHLLDTAD-UHFFFAOYSA-N 0 3 423.536 3.866 40 0 HHABHN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000019553972 558917039 /nfs/dbraw/zinc/91/70/39/558917039.db2.gz JAKOLGSQPJGUKP-BJKOFHAPSA-N 0 3 416.525 3.730 40 0 HHABHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019555126 558917980 /nfs/dbraw/zinc/91/79/80/558917980.db2.gz UKUDXBZGSLXTIS-IBGZPJMESA-N 0 3 418.545 3.855 40 0 HHABHN Cc1cc(-c2cc3nc(C4CCN(Cc5cnn(C)c5C)CC4)cc(N)n3n2)c(C)o1 ZINC000019567768 558927038 /nfs/dbraw/zinc/92/70/38/558927038.db2.gz LZPZXOPISCSESQ-UHFFFAOYSA-N 0 3 419.533 3.610 40 0 HHABHN Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019577457 558933266 /nfs/dbraw/zinc/93/32/66/558933266.db2.gz VSAROLQMFRJJSR-LJQANCHMSA-N 0 3 412.582 3.534 40 0 HHABHN Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019577457 558933268 /nfs/dbraw/zinc/93/32/68/558933268.db2.gz VSAROLQMFRJJSR-LJQANCHMSA-N 0 3 412.582 3.534 40 0 HHABHN CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2ccccn2)C1 ZINC000019579586 558935167 /nfs/dbraw/zinc/93/51/67/558935167.db2.gz XXOGYSOIYFLBDU-DEOSSOPVSA-N 0 3 404.514 3.650 40 0 HHABHN c1ccc(CN2CCCN(c3nccc(CN4CCc5ccccc5C4)n3)CC2)cc1 ZINC000072341240 558939497 /nfs/dbraw/zinc/93/94/97/558939497.db2.gz PTPVWMFFRLNDAK-UHFFFAOYSA-N 0 3 413.569 3.747 40 0 HHABHN COc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000019654691 558947974 /nfs/dbraw/zinc/94/79/74/558947974.db2.gz DKNPYOUUMPPEPA-KRWDZBQOSA-N 0 3 410.514 3.556 40 0 HHABHN COc1ccc(NC(=O)CN2CCC[C@H]2c2cc(Nc3cnccn3)cc(C)n2)cc1 ZINC000072372484 558959961 /nfs/dbraw/zinc/95/99/61/558959961.db2.gz HSQXNKJLJRNVQQ-NRFANRHFSA-N 0 3 418.501 3.708 40 0 HHABHN Cc1nn(C)cc1CN1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019694103 558962249 /nfs/dbraw/zinc/96/22/49/558962249.db2.gz DVUFJNSSIARYGF-GOSISDBHSA-N 0 3 408.525 3.770 40 0 HHABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000019707381 558969708 /nfs/dbraw/zinc/96/97/08/558969708.db2.gz AFUMEXZVAPDLCV-OAQYLSRUSA-N 0 3 413.525 3.808 40 0 HHABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3cccc(Oc4ncccn4)c3)C[C@H]21 ZINC000072392540 558972041 /nfs/dbraw/zinc/97/20/41/558972041.db2.gz SQHZRLMAJMQMGE-LEEZEASISA-N 0 3 402.498 3.702 40 0 HHABHN COCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1c2cccnc2[nH]c1C(C)C ZINC000072395511 558974232 /nfs/dbraw/zinc/97/42/32/558974232.db2.gz HKYISDKKWGNAGI-NHCUHLMSSA-N 0 3 420.557 3.807 40 0 HHABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096056032 559093701 /nfs/dbraw/zinc/09/37/01/559093701.db2.gz XFZINQXEOORSRV-UGKGYDQZSA-N 0 3 402.560 3.927 40 0 HHABHN Cc1nccn1CCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585272746 559118177 /nfs/dbraw/zinc/11/81/77/559118177.db2.gz JHSAFSWGHOOBJK-VWLOTQADSA-N 0 3 421.541 3.676 40 0 HHABHN COc1cc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc(OC)c1OC ZINC000585290044 559122605 /nfs/dbraw/zinc/12/26/05/559122605.db2.gz QNUSUDYOFVXWAO-WAOWUJCRSA-N 0 3 421.921 3.816 40 0 HHABHN COc1ccc(CN[C@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1 ZINC000100744445 559139550 /nfs/dbraw/zinc/13/95/50/559139550.db2.gz TYWVNVOJFSTEBR-QHCPKHFHSA-N 0 3 403.486 3.992 40 0 HHABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000880600 560539687 /nfs/dbraw/zinc/53/96/87/560539687.db2.gz LNEXXTCLFNWGKG-UHFFFAOYSA-N 0 3 412.534 3.736 40 0 HHABHN Cc1cc2cc(CN(CCN(C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1C ZINC000000880663 560539708 /nfs/dbraw/zinc/53/97/08/560539708.db2.gz CDZYFLVRLNGGKQ-UHFFFAOYSA-N 0 3 408.571 3.906 40 0 HHABHN Cc1cc(C)n(-c2nc(N3CCCN(Cc4ccccc4)CC3)nc3c2CCCC3)n1 ZINC000004943227 560616027 /nfs/dbraw/zinc/61/60/27/560616027.db2.gz LTYNEBNQIBXCGO-UHFFFAOYSA-N 0 3 416.573 3.870 40 0 HHABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 ZINC000097951957 560756726 /nfs/dbraw/zinc/75/67/26/560756726.db2.gz QFVMNMQOBFOZIG-FKBYEOEOSA-N 0 3 400.434 3.752 40 0 HHABHN CC[C@@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000010544196 560770329 /nfs/dbraw/zinc/77/03/29/560770329.db2.gz GXQKMVHBMNIMIU-CYBMUJFWSA-N 0 3 409.379 3.935 40 0 HHABHN CC[C@@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000010544196 560770330 /nfs/dbraw/zinc/77/03/30/560770330.db2.gz GXQKMVHBMNIMIU-CYBMUJFWSA-N 0 3 409.379 3.935 40 0 HHABHN Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019372828 560872468 /nfs/dbraw/zinc/87/24/68/560872468.db2.gz ILQWFWXLDPQQGC-QHCPKHFHSA-N 0 3 420.536 3.510 40 0 HHABHN Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140974 560881379 /nfs/dbraw/zinc/88/13/79/560881379.db2.gz YBWVRNARCXQZPD-XMMPIXPASA-N 0 3 416.573 3.679 40 0 HHABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1Cc1ccccn1 ZINC000223526010 568550954 /nfs/dbraw/zinc/55/09/54/568550954.db2.gz JMMSNTZUDIXRJQ-FGZHOGPDSA-N 0 3 412.522 3.835 40 0 HHABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C(C)C ZINC000224792066 568597098 /nfs/dbraw/zinc/59/70/98/568597098.db2.gz IWFPLSJYRUSNLJ-UHFFFAOYSA-N 0 3 402.560 3.893 40 0 HHABHN O=C1CCCN1c1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 ZINC000225743707 568670549 /nfs/dbraw/zinc/67/05/49/568670549.db2.gz VQAMZEBWSZBUKC-UHFFFAOYSA-N 0 3 408.571 3.548 40 0 HHABHN O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000260905702 568743824 /nfs/dbraw/zinc/74/38/24/568743824.db2.gz RSQTYRNRDQDHSS-ROUUACIJSA-N 0 3 400.906 3.508 40 0 HHABHN Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@H]3Cc2ccccc2)cn1 ZINC000257235650 568786292 /nfs/dbraw/zinc/78/62/92/568786292.db2.gz GYUAUDPDEVMCBM-LYVDORBWSA-N 0 3 404.558 3.874 40 0 HHABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N4CCCC4)C3)c2)cc1 ZINC000257278413 568798066 /nfs/dbraw/zinc/79/80/66/568798066.db2.gz OCECGMNUIBBAAR-IBGZPJMESA-N 0 3 414.575 3.962 40 0 HHABHN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccc(C)c4)C[C@@H]32)cc1 ZINC000306135521 568897553 /nfs/dbraw/zinc/89/75/53/568897553.db2.gz OTWKLBWLBVLVFO-ZEQRLZLVSA-N 0 3 401.510 3.887 40 0 HHABHN COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(-c4ccccc4)nc23)cc1 ZINC000306141255 568902855 /nfs/dbraw/zinc/90/28/55/568902855.db2.gz VPYVXMIWTHXSHG-UHFFFAOYSA-N 0 3 416.525 3.500 40 0 HHABHN CCOC[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610960 568939738 /nfs/dbraw/zinc/93/97/38/568939738.db2.gz WQIRXLPCLCLVOB-FHWLQOOXSA-N 0 3 414.354 3.915 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)c1 ZINC000100165699 569012851 /nfs/dbraw/zinc/01/28/51/569012851.db2.gz WTVQUSKAZVHUDT-FKBYEOEOSA-N 0 3 418.424 3.885 40 0 HHABHN CCN1CCN(c2ccc(N)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000226260160 569278638 /nfs/dbraw/zinc/27/86/38/569278638.db2.gz JLTJZVMFTXYRRN-UHFFFAOYSA-N 0 3 410.562 3.726 40 0 HHABHN CC(C)c1ccc(OCc2cc([C@H]3CCN(Cc4cnc(N(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704498 569347693 /nfs/dbraw/zinc/34/76/93/569347693.db2.gz INXKTKJRFAHERJ-FQEVSTJZSA-N 0 3 420.561 3.958 40 0 HHABHN O=C(CN1CC[C@@H](c2cc(COc3ccccc3F)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000019738943 569348644 /nfs/dbraw/zinc/34/86/44/569348644.db2.gz LZOXLVYCUZJGJC-OAHLLOKOSA-N 0 3 412.440 3.695 40 0 HHABHN Cc1ccc(-c2nnn(CC(=O)Nc3cccc(CN4CCC(C)CC4)c3)n2)cc1 ZINC000141561175 569354838 /nfs/dbraw/zinc/35/48/38/569354838.db2.gz TUJZVYXIGBWMMV-UHFFFAOYSA-N 0 3 404.518 3.519 40 0 HHABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012291588 132358057 /nfs/dbraw/zinc/35/80/57/132358057.db2.gz XKYCCACLFGANQS-DEOSSOPVSA-N 0 3 422.569 3.701 40 0 HHABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4cccc(C)c4)CC3)ccc21 ZINC000012291583 132358063 /nfs/dbraw/zinc/35/80/63/132358063.db2.gz WVLXMXUTDIFBCC-DEOSSOPVSA-N 0 3 422.569 3.701 40 0 HHABHN CCOc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)O[C@@H](C)C2 ZINC000072392545 520790472 /nfs/dbraw/zinc/79/04/72/520790472.db2.gz RTGNYWGUDRVXII-DHCLVHEYSA-N 0 3 408.542 3.842 40 0 HHABHN C[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857163 525210220 /nfs/dbraw/zinc/21/02/20/525210220.db2.gz XRYQCUADEOIDAJ-SFHVURJKSA-N 0 3 414.571 3.813 40 0 HHABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000004231268 557530665 /nfs/dbraw/zinc/53/06/65/557530665.db2.gz SVOPQKHHOINLNJ-UHFFFAOYSA-N 0 3 410.493 3.825 40 0 HHABHN Cc1cccc2cc(CN(CCN3CCCC3)C(=O)NCc3ccccc3)c(=O)[nH]c12 ZINC000004231194 557530681 /nfs/dbraw/zinc/53/06/81/557530681.db2.gz AFOOZDHRZJAFFL-UHFFFAOYSA-N 0 3 418.541 3.644 40 0 HHABHN CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000007538470 557745914 /nfs/dbraw/zinc/74/59/14/557745914.db2.gz LCBGAQPZICFQID-UHFFFAOYSA-N 0 3 400.519 3.677 40 0 HHABHN NC(=O)c1cc([C@H]2CCN(Cc3cncn3Cc3ccccc3)C2)nc2ccccc21 ZINC000019761911 558276821 /nfs/dbraw/zinc/27/68/21/558276821.db2.gz CJIOAVPYCLDAOF-IBGZPJMESA-N 0 3 411.509 3.568 40 0 HHABHN O=C1N[C@@]2(COC3(C2)CCN(Cc2ccc(F)cc2)CC3)Nc2ccc(Cl)cc21 ZINC000012085549 558321375 /nfs/dbraw/zinc/32/13/75/558321375.db2.gz ZEQLBXISTIBXFU-QFIPXVFZSA-N 0 3 415.896 3.786 40 0 HHABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccc(F)cc2)C3)c(OCC)n1 ZINC000012181040 558342751 /nfs/dbraw/zinc/34/27/51/558342751.db2.gz JRQOWXLXYVJANP-NHJWOMDBSA-N 0 3 415.509 3.533 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3cn(C)c4ccccc34)CC1)C[C@@H]2O ZINC000012293222 558366264 /nfs/dbraw/zinc/36/62/64/558366264.db2.gz LDRJKFZBZHDVFR-GOTSBHOMSA-N 0 3 422.525 3.571 40 0 HHABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012329530 558384180 /nfs/dbraw/zinc/38/41/80/558384180.db2.gz ITQPRZQOEJCCPQ-PKTZIBPZSA-N 0 3 405.494 3.930 40 0 HHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330256 558385131 /nfs/dbraw/zinc/38/51/31/558385131.db2.gz FBDGYPQGWAGPQE-DNQXCXABSA-N 0 3 423.553 3.958 40 0 HHABHN COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000039755661 558687509 /nfs/dbraw/zinc/68/75/09/558687509.db2.gz JVRMCDDZIHBFMK-KRWDZBQOSA-N 0 3 400.494 3.630 40 0 HHABHN CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)N(C)C)cc1 ZINC000028296085 558698973 /nfs/dbraw/zinc/69/89/73/558698973.db2.gz IQNSBYXVOKMFSE-OAQYLSRUSA-N 0 3 409.486 3.782 40 0 HHABHN CCCCN(CCCC)CN1C(=O)C(=Cc2ccc(NC(C)=O)cc2)NC1=S ZINC000033493144 558769180 /nfs/dbraw/zinc/76/91/80/558769180.db2.gz NWRZHSNLESRIFN-RGEXLXHISA-N 0 3 402.564 3.562 40 0 HHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000100901289 558802236 /nfs/dbraw/zinc/80/22/36/558802236.db2.gz RAXYROGTNMRWJD-FSSWDIPSSA-N 0 3 400.434 3.752 40 0 HHABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2c(C)noc2C)cc1 ZINC000036743725 558802499 /nfs/dbraw/zinc/80/24/99/558802499.db2.gz ZOQDXNCYVGMOTR-YADHBBJMSA-N 0 3 405.498 3.698 40 0 HHABHN Cc1cc2nc(C)c(CCC(=O)N[C@H](CN3CCCCC3)c3ccccc3)c(C)n2n1 ZINC000036752613 558803033 /nfs/dbraw/zinc/80/30/33/558803033.db2.gz DLCOVLUPXBDEKI-HSZRJFAPSA-N 0 3 419.573 3.931 40 0 HHABHN CC(=O)Oc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000019023058 558838250 /nfs/dbraw/zinc/83/82/50/558838250.db2.gz UHGJHIVQJRAHCO-SFHVURJKSA-N 0 3 421.545 3.914 40 0 HHABHN Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019209720 558847965 /nfs/dbraw/zinc/84/79/65/558847965.db2.gz YWHNCRFMMXMLFY-NRFANRHFSA-N 0 3 408.546 3.553 40 0 HHABHN Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019209720 558847968 /nfs/dbraw/zinc/84/79/68/558847968.db2.gz YWHNCRFMMXMLFY-NRFANRHFSA-N 0 3 408.546 3.553 40 0 HHABHN O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1 ZINC000019370394 558878723 /nfs/dbraw/zinc/87/87/23/558878723.db2.gz IKGONPDUUWLZKG-DHLKQENFSA-N 0 3 400.526 3.789 40 0 HHABHN O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC000019400255 558882864 /nfs/dbraw/zinc/88/28/64/558882864.db2.gz AANAMJSOTCKBGL-CQOQZXRMSA-N 0 3 416.500 3.746 40 0 HHABHN O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 ZINC000019401854 558883733 /nfs/dbraw/zinc/88/37/33/558883733.db2.gz STXMSRYLSKHHNB-HJOGWXRNSA-N 0 3 416.500 3.746 40 0 HHABHN CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019499845 558897840 /nfs/dbraw/zinc/89/78/40/558897840.db2.gz IGIJKYZXMNJXEO-OXJNMPFZSA-N 0 3 400.567 3.830 40 0 HHABHN CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019499845 558897843 /nfs/dbraw/zinc/89/78/43/558897843.db2.gz IGIJKYZXMNJXEO-OXJNMPFZSA-N 0 3 400.567 3.830 40 0 HHABHN CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019499845 558897846 /nfs/dbraw/zinc/89/78/46/558897846.db2.gz IGIJKYZXMNJXEO-OXJNMPFZSA-N 0 3 400.567 3.830 40 0 HHABHN CCCOc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1cccnc1)OCO2 ZINC000019503825 558900841 /nfs/dbraw/zinc/90/08/41/558900841.db2.gz OPBQUAMMHYIPRV-VXMMSVGHSA-N 0 3 410.514 3.719 40 0 HHABHN CCCOc1cc2c(cc1CN1C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C1)OCO2 ZINC000019503844 558900893 /nfs/dbraw/zinc/90/08/93/558900893.db2.gz SNZXAAOQVQHPTB-YIGJPRQDSA-N 0 3 410.514 3.637 40 0 HHABHN CCn1cc(CN2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 ZINC000019524904 558906158 /nfs/dbraw/zinc/90/61/58/558906158.db2.gz NIIKLIXVLTWDNR-VWLOTQADSA-N 0 3 417.557 3.536 40 0 HHABHN CCN(CC)Cc1cc(CN2CCC(O)(c3cccnc3F)CC2)ccc1OC ZINC000019526444 558907747 /nfs/dbraw/zinc/90/77/47/558907747.db2.gz BXVGPSSUSGVFEA-UHFFFAOYSA-N 0 3 401.526 3.555 40 0 HHABHN Cc1nccn1C[C@H]1CCCN(Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656967 558949745 /nfs/dbraw/zinc/94/97/45/558949745.db2.gz VTMIBDFSEDRLKO-SFHVURJKSA-N 0 3 404.493 3.953 40 0 HHABHN COc1ccccc1CN(C(=O)c1cn2cc(Cl)ccc2n1)C1CCN(C)CC1 ZINC000019660752 558951960 /nfs/dbraw/zinc/95/19/60/558951960.db2.gz LUVYJDHFNLRTHT-UHFFFAOYSA-N 0 3 412.921 3.733 40 0 HHABHN O=C(c1sc2ccccc2c1[C@@H]1CCN(Cc2ccncc2)C1)N1CCOCC1 ZINC000072356007 558952715 /nfs/dbraw/zinc/95/27/15/558952715.db2.gz BKSBNNTYUGSTKF-GOSISDBHSA-N 0 3 407.539 3.758 40 0 HHABHN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 ZINC000072374906 558962884 /nfs/dbraw/zinc/96/28/84/558962884.db2.gz PFMWMUUWCIXXNQ-GOSISDBHSA-N 0 3 417.579 3.603 40 0 HHABHN COc1ccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 ZINC000072391331 558971380 /nfs/dbraw/zinc/97/13/80/558971380.db2.gz RKPXXPBKAUEWLC-HXUWFJFHSA-N 0 3 403.530 3.993 40 0 HHABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056033 559093714 /nfs/dbraw/zinc/09/37/14/559093714.db2.gz GENNUOJIUBQIEA-REWPJTCUSA-N 0 3 400.494 3.696 40 0 HHABHN CC(C)n1cnc2c1cc(C1CCN(Cc3cnn(C)c3)CC1)nc2-c1cnn(C)c1 ZINC000096100047 559095422 /nfs/dbraw/zinc/09/54/22/559095422.db2.gz STFQESWKZLMQPT-UHFFFAOYSA-N 0 3 418.549 3.526 40 0 HHABHN O=C(NCCc1cccs1)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 ZINC000096267356 559108132 /nfs/dbraw/zinc/10/81/32/559108132.db2.gz QHBIWIOHVVAVBD-UHFFFAOYSA-N 0 3 408.571 3.505 40 0 HHABHN Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)C4(N)CCCCC4)CC3)n2)s1 ZINC000585263508 559111936 /nfs/dbraw/zinc/11/19/36/559111936.db2.gz PDGCYSAFUWRLLB-UHFFFAOYSA-N 0 3 414.579 3.661 40 0 HHABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000585270388 559116349 /nfs/dbraw/zinc/11/63/49/559116349.db2.gz VSSARWZZIVUIIC-JOCHJYFZSA-N 0 3 422.525 3.931 40 0 HHABHN Cc1cnn(CCOc2ccc(CN3CCC[C@@](O)(COc4ccccc4)C3)cc2)c1 ZINC000585271710 559117530 /nfs/dbraw/zinc/11/75/30/559117530.db2.gz BQSKDVZZPPOMMS-VWLOTQADSA-N 0 3 421.541 3.676 40 0 HHABHN COc1cccc(CN[C@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)c1 ZINC000100744450 559139541 /nfs/dbraw/zinc/13/95/41/559139541.db2.gz UOIXGXSQJGFBAW-QHCPKHFHSA-N 0 3 403.486 3.992 40 0 HHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102734910 559152345 /nfs/dbraw/zinc/15/23/45/559152345.db2.gz LRKJNSYVFCUHII-AABGKKOBSA-N 0 3 405.841 3.786 40 0 HHABHN CO[C@@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCCc2ccccc2)CC1 ZINC000257249392 559284544 /nfs/dbraw/zinc/28/45/44/559284544.db2.gz JICHUYNSUNDKQO-VWLOTQADSA-N 0 3 410.558 3.604 40 0 HHABHN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002422450 560560011 /nfs/dbraw/zinc/56/00/11/560560011.db2.gz ANGKSUGPKQOCDU-QKFKETGDSA-N 0 3 413.518 3.802 40 0 HHABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3)cc2c1 ZINC000004231293 560603088 /nfs/dbraw/zinc/60/30/88/560603088.db2.gz OFJUMVZMRWOKIU-UHFFFAOYSA-N 0 3 408.502 3.523 40 0 HHABHN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccncc1 ZINC000409389567 560720440 /nfs/dbraw/zinc/72/04/40/560720440.db2.gz CAQJKTHVUZXSFO-MTJSOVHGSA-N 0 3 400.507 3.876 40 0 HHABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000014671951 560847782 /nfs/dbraw/zinc/84/77/82/560847782.db2.gz YWEPKAIIHAQMJQ-GOSISDBHSA-N 0 3 402.281 3.939 40 0 HHABHN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223260274 568542952 /nfs/dbraw/zinc/54/29/52/568542952.db2.gz VZDXQFVJEKVPQP-YADHBBJMSA-N 0 3 405.571 3.715 40 0 HHABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccco1 ZINC000223259130 568542999 /nfs/dbraw/zinc/54/29/99/568542999.db2.gz TXUTUYUQGYDOOH-VXKWHMMOSA-N 0 3 423.586 3.675 40 0 HHABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1Cc1ccncc1 ZINC000223487393 568550259 /nfs/dbraw/zinc/55/02/59/568550259.db2.gz NAKSDBNTCUZNMP-FGZHOGPDSA-N 0 3 412.522 3.835 40 0 HHABHN O=S(=O)(Cc1cccc(Br)c1)NCc1ccccc1CN1CCCC1 ZINC000224800978 568597415 /nfs/dbraw/zinc/59/74/15/568597415.db2.gz KXAUJEHRCQBVIQ-UHFFFAOYSA-N 0 3 423.376 3.665 40 0 HHABHN CCNC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440416 568638050 /nfs/dbraw/zinc/63/80/50/568638050.db2.gz QBDRIOCSRORUPR-UHFFFAOYSA-N 0 3 414.553 3.930 40 0 HHABHN COc1cc(CCNCc2ccccc2F)c(OC)cc1I ZINC000095705074 568644334 /nfs/dbraw/zinc/64/43/34/568644334.db2.gz LPBKNBHMWRBPHT-UHFFFAOYSA-N 0 3 415.246 3.780 40 0 in-vitro HHABHN Cn1c(C(=O)NC[C@@H]2CC3(CCN(Cc4ccsc4)CC3)O2)cc2ccccc21 ZINC000248095638 568747461 /nfs/dbraw/zinc/74/74/61/568747461.db2.gz XYGAKLCRZGYJAU-IBGZPJMESA-N 0 3 409.555 3.793 40 0 HHABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)c2)cc1 ZINC000257278414 568798166 /nfs/dbraw/zinc/79/81/66/568798166.db2.gz OCECGMNUIBBAAR-LJQANCHMSA-N 0 3 414.575 3.962 40 0 HHABHN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cncn4C)CC3)CO[C@H]21 ZINC000257305024 568805853 /nfs/dbraw/zinc/80/58/53/568805853.db2.gz SOCZEWMBAPTODP-PZJWPPBQSA-N 0 3 411.546 3.960 40 0 HHABHN COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H](N)CC(C)C)CC[C@H]3O[C@@H]21 ZINC000257335475 568814850 /nfs/dbraw/zinc/81/48/50/568814850.db2.gz YKHSNSUQEYZNCM-RZDNYABWSA-N 0 3 416.562 3.534 40 0 HHABHN c1[nH]nc(-c2ccccc2)c1CN1CCO[C@@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306131949 568894204 /nfs/dbraw/zinc/89/42/04/568894204.db2.gz KTSYEJGMZKFOCG-NOZRDPDXSA-N 0 3 417.557 3.775 40 0 HHABHN CCOC[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218625168 568942081 /nfs/dbraw/zinc/94/20/81/568942081.db2.gz RQRWOMWEVYHYQF-HKBOAZHASA-N 0 3 407.963 3.824 40 0 HHABHN Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328965229 568970043 /nfs/dbraw/zinc/97/00/43/568970043.db2.gz CAYDSQGJSQRISQ-KRWDZBQOSA-N 0 3 405.340 3.539 40 0 HHABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019565051 569345611 /nfs/dbraw/zinc/34/56/11/569345611.db2.gz CCFVDMDIPDHLOZ-GBXCKJPGSA-N 0 3 416.525 3.869 40 0 HHABHN CNc1ncccc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccc(OC)cc1 ZINC000019713830 569348485 /nfs/dbraw/zinc/34/84/85/569348485.db2.gz UVFZRBXOEJEVCI-YADHBBJMSA-N 0 3 408.546 3.678 40 0 HHABHN O=c1ccc(-c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000020503389 575369747 /nfs/dbraw/zinc/36/97/47/575369747.db2.gz AMMWOZJLFSWODK-DOTOQJQBSA-N 0 3 410.901 3.873 40 0 biogenic,in-vitro HHABHN CC(C)C[C@@H]1N[C@H](C(=O)NC(C)C)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171765 291248093 /nfs/dbraw/zinc/24/80/93/291248093.db2.gz CNHBYSCKPCQAJZ-PMACEKPBSA-N 0 3 407.562 3.549 40 0 biogenic,in-vitro HHABHN C[C@@]1(CN2CCCC2)COc2c(Br)cc(Br)cc2C1=O ZINC000005534848 557660072 /nfs/dbraw/zinc/66/00/72/557660072.db2.gz AWCBRWNCPIDSSC-OAHLLOKOSA-N 0 3 403.114 3.889 40 0 HHABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000012185782 558345218 /nfs/dbraw/zinc/34/52/18/558345218.db2.gz QGEBPGWUHATCBW-SFHVURJKSA-N 0 3 420.561 3.947 40 0 HHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3cn(C)c4ccccc34)CC1)C[C@H]2O ZINC000012293220 558366196 /nfs/dbraw/zinc/36/61/96/558366196.db2.gz LDRJKFZBZHDVFR-DHIUTWEWSA-N 0 3 422.525 3.571 40 0 HHABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329384 558384030 /nfs/dbraw/zinc/38/40/30/558384030.db2.gz BTORJSRZHAVUOV-PKTZIBPZSA-N 0 3 424.541 3.646 40 0 HHABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330299 558385388 /nfs/dbraw/zinc/38/53/88/558385388.db2.gz DIPNPKADAGYUON-GOTSBHOMSA-N 0 3 409.526 3.655 40 0 HHABHN COC(=O)Cn1c(C)c(CN2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012344258 558386509 /nfs/dbraw/zinc/38/65/09/558386509.db2.gz NNLUKIYWYIZBCN-UHFFFAOYSA-N 0 3 422.525 3.615 40 0 HHABHN CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000022527437 558496120 /nfs/dbraw/zinc/49/61/20/558496120.db2.gz HSKLZGJDEQQBFS-UHFFFAOYSA-N 0 3 409.939 3.806 40 0 HHABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ccsc3)C1)O2 ZINC000019019604 558837536 /nfs/dbraw/zinc/83/75/36/558837536.db2.gz UDXSLKIBBDLZKJ-GCJKJVERSA-N 0 3 400.544 3.778 40 0 HHABHN CC(=O)Oc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000019023055 558838169 /nfs/dbraw/zinc/83/81/69/558838169.db2.gz UHGJHIVQJRAHCO-GOSISDBHSA-N 0 3 421.545 3.914 40 0 HHABHN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019081349 558839580 /nfs/dbraw/zinc/83/95/80/558839580.db2.gz ZWRJTHSCOANGQM-LJQANCHMSA-N 0 3 400.567 3.830 40 0 HHABHN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019081349 558839582 /nfs/dbraw/zinc/83/95/82/558839582.db2.gz ZWRJTHSCOANGQM-LJQANCHMSA-N 0 3 400.567 3.830 40 0 HHABHN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019081349 558839584 /nfs/dbraw/zinc/83/95/84/558839584.db2.gz ZWRJTHSCOANGQM-LJQANCHMSA-N 0 3 400.567 3.830 40 0 HHABHN Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(Cc4ccccn4)C3)on2)cc1 ZINC000019212267 558848784 /nfs/dbraw/zinc/84/87/84/558848784.db2.gz GKPRDTWFISOCDG-RUZDIDTESA-N 0 3 418.541 3.958 40 0 HHABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c1 ZINC000013660745 558851630 /nfs/dbraw/zinc/85/16/30/558851630.db2.gz QFVMNMQOBFOZIG-FSSWDIPSSA-N 0 3 400.434 3.752 40 0 HHABHN COc1ccccc1-c1ccccc1C[C@@H]1CN(Cc2cccc(C)n2)CCNC1=O ZINC000019236293 558855423 /nfs/dbraw/zinc/85/54/23/558855423.db2.gz HXGMCMSJBJMYFJ-OAQYLSRUSA-N 0 3 415.537 3.856 40 0 HHABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000019291389 558863944 /nfs/dbraw/zinc/86/39/44/558863944.db2.gz UQNQUTSEFQGTTG-KEVCNVLYSA-N 0 3 418.541 3.514 40 0 HHABHN Fc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019293824 558865443 /nfs/dbraw/zinc/86/54/43/558865443.db2.gz LATCKGNTWNOJBC-SFHVURJKSA-N 0 3 406.509 3.986 40 0 HHABHN COc1cccc([C@@H]2CN(Cc3c(C)nc4ccccn43)C[C@]23CCCCC(=O)N3)c1 ZINC000019555014 558917916 /nfs/dbraw/zinc/91/79/16/558917916.db2.gz UQEJOXMHXSYZIA-SQJMNOBHSA-N 0 3 418.541 3.680 40 0 HHABHN COc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)CN3C(=O)C2CC2)cc1 ZINC000019555433 558918119 /nfs/dbraw/zinc/91/81/19/558918119.db2.gz UUHOENOWCZQLNS-UBFVSLLYSA-N 0 3 420.553 3.930 40 0 HHABHN Cc1noc2nc(C3CCN(Cc4cnc(N(C)C)nc4)CC3)cc(C(F)F)c12 ZINC000019565106 558925334 /nfs/dbraw/zinc/92/53/34/558925334.db2.gz NDWQAHWOSDWXAH-UHFFFAOYSA-N 0 3 402.449 3.704 40 0 HHABHN Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c(C)n1Cc1cccnc1 ZINC000019567520 558926785 /nfs/dbraw/zinc/92/67/85/558926785.db2.gz FKUXUXMCRFLWPZ-VWNXMTODSA-N 0 3 424.495 3.936 40 0 HHABHN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cc(CN3CCCC3)c(C)o2)cc1 ZINC000019582508 558937636 /nfs/dbraw/zinc/93/76/36/558937636.db2.gz BKBHCZNNTXCDJL-HSZRJFAPSA-N 0 3 420.513 3.703 40 0 HHABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccccc2F)C1 ZINC000019591308 558941633 /nfs/dbraw/zinc/94/16/33/558941633.db2.gz WZFKZVAPNWVTBB-RUZDIDTESA-N 0 3 418.516 3.854 40 0 HHABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cccnc2)C1 ZINC000019591336 558941693 /nfs/dbraw/zinc/94/16/93/558941693.db2.gz MYWZHWPCYPOCGG-RUZDIDTESA-N 0 3 400.526 3.715 40 0 HHABHN NC(=O)c1cccc(-c2c[nH]nc2[C@H]2CCCN(CCOCc3ccccc3)C2)c1 ZINC000072356458 558953361 /nfs/dbraw/zinc/95/33/61/558953361.db2.gz FSUKTRNXLUASOG-NRFANRHFSA-N 0 3 404.514 3.572 40 0 HHABHN COc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cc1 ZINC000072358403 558954104 /nfs/dbraw/zinc/95/41/04/558954104.db2.gz GBSVCCPSUKGLNC-HXUWFJFHSA-N 0 3 402.498 3.631 40 0 HHABHN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCN(C)C ZINC000072370676 558957201 /nfs/dbraw/zinc/95/72/01/558957201.db2.gz HPOITBZIODGPBL-KRWDZBQOSA-N 0 3 401.576 3.526 40 0 HHABHN COc1ccc(CN2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000072373011 558960778 /nfs/dbraw/zinc/96/07/78/558960778.db2.gz QUCPNANEXSEAES-CJFMBICVSA-N 0 3 424.541 3.726 40 0 HHABHN CNc1ncccc1CN1CCC(c2nc(-c3ccccc3)c(C(=O)N(C)C)[nH]2)CC1 ZINC000019696995 558964744 /nfs/dbraw/zinc/96/47/44/558964744.db2.gz CDZYTALVGXXHHW-UHFFFAOYSA-N 0 3 418.545 3.595 40 0 HHABHN Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(Cc4ccncc4)C3)on2)cc1 ZINC000072395949 558975013 /nfs/dbraw/zinc/97/50/13/558975013.db2.gz NXOXFNPGQXOZAY-VWLOTQADSA-N 0 3 418.541 3.958 40 0 HHABHN CCn1cnc2sc(C(=O)N(Cc3ccccc3)C3CCN(C)CC3)c(C)c2c1=O ZINC000019717356 558979938 /nfs/dbraw/zinc/97/99/38/558979938.db2.gz VNJAILODPLBLAA-UHFFFAOYSA-N 0 3 424.570 3.523 40 0 HHABHN Cc1c(C(=O)N[C@@H](CCN2CCCCC2)c2ccccc2)sc2[nH]c(C)nc(=O)c12 ZINC000019718999 558982538 /nfs/dbraw/zinc/98/25/38/558982538.db2.gz CRXYTGBWXBPKQT-SFHVURJKSA-N 0 3 424.570 3.949 40 0 HHABHN O=C([C@@H]1CCCCN1)N1CCC(c2cccc(Nc3ncc(Cl)s3)n2)CC1 ZINC000585263607 559112000 /nfs/dbraw/zinc/11/20/00/559112000.db2.gz TZWYVYBGQFAEKU-HNNXBMFYSA-N 0 3 405.955 3.783 40 0 HHABHN Cc1cccc2cc(CN(CCN(C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c12 ZINC000004133475 560600485 /nfs/dbraw/zinc/60/04/85/560600485.db2.gz SZDSXYPEMVVJSZ-GOSISDBHSA-N 0 3 422.598 3.836 40 0 HHABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)c1 ZINC000005531492 568447116 /nfs/dbraw/zinc/44/71/16/568447116.db2.gz VVZSTPFSPDKUIM-BDTNDASRSA-N 0 3 418.424 3.885 40 0 HHABHN O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222595331 568519788 /nfs/dbraw/zinc/51/97/88/568519788.db2.gz YXHCKUGWKIPSQR-GOSISDBHSA-N 0 3 410.905 3.918 40 0 HHABHN O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222602343 568520102 /nfs/dbraw/zinc/52/01/02/568520102.db2.gz VQEVNKWQVATGHU-JOCHJYFZSA-N 0 3 409.549 3.997 40 0 HHABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1Cc1cccnc1 ZINC000223451809 568549306 /nfs/dbraw/zinc/54/93/06/568549306.db2.gz NVPYJXZLAZMMIT-YADHBBJMSA-N 0 3 412.522 3.835 40 0 HHABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1Cc1ccccn1 ZINC000223526050 568550961 /nfs/dbraw/zinc/55/09/61/568550961.db2.gz JMMSNTZUDIXRJQ-VXKWHMMOSA-N 0 3 412.522 3.835 40 0 HHABHN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000224419783 568580853 /nfs/dbraw/zinc/58/08/53/568580853.db2.gz TYBAQKQSSABVHX-SJLPKXTDSA-N 0 3 400.494 3.932 40 0 HHABHN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000225298306 568628567 /nfs/dbraw/zinc/62/85/67/568628567.db2.gz DWPCYSRYDJWZFP-UHFFFAOYSA-N 0 3 404.514 3.965 40 0 HHABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCC[NH3+])cc(Br)c1OC2(C)C ZINC000257203881 568777142 /nfs/dbraw/zinc/77/71/42/568777142.db2.gz ASBCQSFDQIPSGJ-NQBHXWOUSA-N 0 3 411.340 3.534 40 0 HHABHN O=C(CN1C[C@@H]2[C@@H](Cc3cccc(Cl)c3)CC[C@@H]2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257225753 568783685 /nfs/dbraw/zinc/78/36/85/568783685.db2.gz FHPZTJBDOQQBEQ-GPMSIDNRSA-N 0 3 424.932 3.649 40 0 HHABHN CN(C)c1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3)CCN(C)CC2)ccn1 ZINC000257237953 568786860 /nfs/dbraw/zinc/78/68/60/568786860.db2.gz HIYOIHCFANSBGF-JOCHJYFZSA-N 0 3 406.574 3.766 40 0 HHABHN COc1cc2c(cc1CN1CCC(c3cncc(Nc4cnccn4)n3)CC1)CCC2 ZINC000257248210 568789695 /nfs/dbraw/zinc/78/96/95/568789695.db2.gz JCQGPYGXWCDLFC-UHFFFAOYSA-N 0 3 416.529 3.887 40 0 HHABHN O=C(NCCN1CCCCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257248342 568789779 /nfs/dbraw/zinc/78/97/79/568789779.db2.gz JDFMYGHLKXUQSV-UHFFFAOYSA-N 0 3 407.558 3.690 40 0 HHABHN Cc1nc2cc([C@H]3CCCN3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257263036 568793672 /nfs/dbraw/zinc/79/36/72/568793672.db2.gz LOCQUBKQVGPAQT-JOCHJYFZSA-N 0 3 409.578 3.981 40 0 HHABHN CCN1CCN(Cc2ccc(O)cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257282382 568799185 /nfs/dbraw/zinc/79/91/85/568799185.db2.gz OTOCTCCIIPZHIM-HSZRJFAPSA-N 0 3 415.537 3.977 40 0 HHABHN Cn1[n-]c2c(c1=O)CN(Cc1cccc(F)c1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306138550 568900288 /nfs/dbraw/zinc/90/02/88/568900288.db2.gz SAINMCMAICOTRC-UHFFFAOYSA-N 0 3 420.532 3.814 40 0 HHABHN COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccc(OC)c4)cnc2CO3)cc1 ZINC000306141595 568902966 /nfs/dbraw/zinc/90/29/66/568902966.db2.gz WBLPOIICBYKMMA-XMMPIXPASA-N 0 3 405.498 3.742 40 0 HHABHN COC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218591440 568938518 /nfs/dbraw/zinc/93/85/18/568938518.db2.gz PXATVBJBYUSZAX-SQNIBIBYSA-N 0 3 400.327 3.525 40 0 HHABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019565047 569345607 /nfs/dbraw/zinc/34/56/07/569345607.db2.gz CCFVDMDIPDHLOZ-HYBUGGRVSA-N 0 3 416.525 3.869 40 0 HHABHN