smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ncn(CCC(=O)N3CCCN(Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000010163961 1079450728 /nfs/dbraw/zinc/45/07/28/1079450728.db2.gz ROYBXXWTAVNGMT-UHFFFAOYSA-N 0 3 424.505 0.558 20 0 HCADHN CNC(=O)C1CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000012334615 1079463748 /nfs/dbraw/zinc/46/37/48/1079463748.db2.gz CMJXCGHHCOJKBW-UHFFFAOYSA-N 0 3 411.524 0.544 20 0 HCADHN Cn1c2ncn(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000016261392 1079476474 /nfs/dbraw/zinc/47/64/74/1079476474.db2.gz HGDRNVISUMLSON-MRXNPFEDSA-N 0 3 410.478 0.215 20 0 HCADHN Cn1c2ncn(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000016261393 1079476766 /nfs/dbraw/zinc/47/67/66/1079476766.db2.gz HGDRNVISUMLSON-INIZCTEOSA-N 0 3 410.478 0.215 20 0 HCADHN CN(C)[C@@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000018015926 1079487444 /nfs/dbraw/zinc/48/74/44/1079487444.db2.gz BALKTXWMINBEIK-MRXNPFEDSA-N 0 3 412.494 0.113 20 0 HCADHN CN(C)[C@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000018015927 1079487173 /nfs/dbraw/zinc/48/71/73/1079487173.db2.gz BALKTXWMINBEIK-INIZCTEOSA-N 0 3 412.494 0.113 20 0 HCADHN O=C(CN1CCCN(Cc2ccccc2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000022807302 1079503262 /nfs/dbraw/zinc/50/32/62/1079503262.db2.gz DZLNUCSJHGOGEN-QGZVFWFLSA-N 0 3 408.524 0.207 20 0 HCADHN COc1cc(C)c(CN(C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000024802444 1079525844 /nfs/dbraw/zinc/52/58/44/1079525844.db2.gz ACSHGECZSQAAJO-UHFFFAOYSA-N 0 3 401.467 0.891 20 0 HCADHN Cn1c2ncn(CCN3CCC(C(=O)Nc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000024856471 1079527124 /nfs/dbraw/zinc/52/71/24/1079527124.db2.gz VKOBWTCINXILFO-UHFFFAOYSA-N 0 3 410.478 0.784 20 0 HCADHN Cn1c2ncn(CCN3CCC(C(=O)NCc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000024858675 1079527193 /nfs/dbraw/zinc/52/71/93/1079527193.db2.gz BOQNHWVOCDYKPI-UHFFFAOYSA-N 0 3 424.505 0.462 20 0 HCADHN CN1CCN(CCCNC(=O)C2CCN(S(N)(=O)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000025264565 1078011845 /nfs/dbraw/zinc/01/18/45/1078011845.db2.gz CVPPYDUQEBFWNM-LJQANCHMSA-N 0 3 423.583 0.397 20 0 HCADHN NS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000025854493 1078027072 /nfs/dbraw/zinc/02/70/72/1078027072.db2.gz UPSYRTSYIXRNDJ-UHFFFAOYSA-N 0 3 423.583 0.226 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000025855726 1078027049 /nfs/dbraw/zinc/02/70/49/1078027049.db2.gz XISOZZUFWSNKNQ-LSDHHAIUSA-N 0 3 409.508 0.731 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000025855730 1078027145 /nfs/dbraw/zinc/02/71/45/1078027145.db2.gz XISOZZUFWSNKNQ-HUUCEWRRSA-N 0 3 409.508 0.731 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000025855741 1078027107 /nfs/dbraw/zinc/02/71/07/1078027107.db2.gz XISOZZUFWSNKNQ-CABCVRRESA-N 0 3 409.508 0.731 20 0 HCADHN CN(C)S(=O)(=O)N1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000026163760 1078035099 /nfs/dbraw/zinc/03/50/99/1078035099.db2.gz ZCLFIWDOUDQWEP-UHFFFAOYSA-N 0 3 423.583 0.957 20 0 HCADHN Cc1cccc(N2CCN(CCCCNC(=O)Cn3ccc(=O)n(C)c3=O)CC2)c1 ZINC000026963143 1079600699 /nfs/dbraw/zinc/60/06/99/1079600699.db2.gz QLTKCTCSRUYETJ-UHFFFAOYSA-N 0 3 413.522 0.574 20 0 HCADHN CCCCn1c(N)c(N(CC)C(=O)CN2CCN(C3CCCC3)CC2)c(=O)[nH]c1=O ZINC000027119643 1079602351 /nfs/dbraw/zinc/60/23/51/1079602351.db2.gz PSZVADXXXATCRH-UHFFFAOYSA-N 0 3 420.558 0.832 20 0 HCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCN(C3CCCC3)CC2)CC1 ZINC000027120481 1079602160 /nfs/dbraw/zinc/60/21/60/1079602160.db2.gz KRNBHANGSHRCJG-UHFFFAOYSA-N 0 3 412.542 0.572 20 0 HCADHN CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)nc1)N1CCN(C)CC1 ZINC000027342255 1079885235 /nfs/dbraw/zinc/88/52/35/1079885235.db2.gz HZSPFBPQMQPKBX-LJQANCHMSA-N 0 3 404.559 0.989 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000027391170 1079608230 /nfs/dbraw/zinc/60/82/30/1079608230.db2.gz SMCWPPMGTMRFHU-UHFFFAOYSA-N 0 3 424.505 0.477 20 0 HCADHN CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1N1CCOCC1 ZINC000027552363 1079611512 /nfs/dbraw/zinc/61/15/12/1079611512.db2.gz UOZHPECRQMGKED-UHFFFAOYSA-N 0 3 412.494 0.402 20 0 HCADHN Cn1c2ncn(CCN3CCC[C@@H](C(=O)Nc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000027573118 1079612913 /nfs/dbraw/zinc/61/29/13/1079612913.db2.gz IVPIMYPDFIZRFI-OAHLLOKOSA-N 0 3 410.478 0.784 20 0 HCADHN Cn1c2ncn(CCN3CCC[C@H](C(=O)Nc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000027573121 1079612454 /nfs/dbraw/zinc/61/24/54/1079612454.db2.gz IVPIMYPDFIZRFI-HNNXBMFYSA-N 0 3 410.478 0.784 20 0 HCADHN CN(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)Cc1ccccc1 ZINC000027586318 1079614188 /nfs/dbraw/zinc/61/41/88/1079614188.db2.gz YCJSNPVOIUEHBK-QGZVFWFLSA-N 0 3 420.535 0.938 20 0 HCADHN CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)Cc1ccccc1 ZINC000027586323 1079614269 /nfs/dbraw/zinc/61/42/69/1079614269.db2.gz YCJSNPVOIUEHBK-KRWDZBQOSA-N 0 3 420.535 0.938 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000027748869 1079617859 /nfs/dbraw/zinc/61/78/59/1079617859.db2.gz DRSSPUBDXPAQQZ-OAHLLOKOSA-N 0 3 410.540 0.775 20 0 HCADHN CS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000029161436 1079645674 /nfs/dbraw/zinc/64/56/74/1079645674.db2.gz NQACLAVUWOMRTF-UHFFFAOYSA-N 0 3 422.595 0.982 20 0 HCADHN Cn1c2ncn(CCC(=O)N[C@@H](CN3CCCC3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000029178977 1079645311 /nfs/dbraw/zinc/64/53/11/1079645311.db2.gz MNJATGLKHFJBBK-KRWDZBQOSA-N 0 3 424.505 0.777 20 0 HCADHN Cn1c2ncn(CCC(=O)N[C@H](CN3CCCC3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000029178978 1079645074 /nfs/dbraw/zinc/64/50/74/1079645074.db2.gz MNJATGLKHFJBBK-QGZVFWFLSA-N 0 3 424.505 0.777 20 0 HCADHN Cn1c(=O)c2ccc(C(=O)NCCCN3CCc4ccccc4C3)nc2n(C)c1=O ZINC000029842190 1079668862 /nfs/dbraw/zinc/66/88/62/1079668862.db2.gz VMCKWZTWKBEPDE-UHFFFAOYSA-N 0 3 407.474 0.810 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000029842293 1079668900 /nfs/dbraw/zinc/66/89/00/1079668900.db2.gz ZDMNJWZZGSFDPB-RTBURBONSA-N 0 3 419.547 0.587 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000029842299 1079668880 /nfs/dbraw/zinc/66/88/80/1079668880.db2.gz ZDMNJWZZGSFDPB-RBUKOAKNSA-N 0 3 419.547 0.587 20 0 HCADHN CC[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCc2ccccc2C1 ZINC000029908779 1079669704 /nfs/dbraw/zinc/66/97/04/1079669704.db2.gz CLWHCVZGQZMXGD-KRWDZBQOSA-N 0 3 424.505 0.387 20 0 HCADHN CC[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCc2ccccc2C1 ZINC000029908783 1079669786 /nfs/dbraw/zinc/66/97/86/1079669786.db2.gz CLWHCVZGQZMXGD-QGZVFWFLSA-N 0 3 424.505 0.387 20 0 HCADHN CC[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCc2ccccc2C1 ZINC000029909445 1079669770 /nfs/dbraw/zinc/66/97/70/1079669770.db2.gz WXRRXMYAPWUQPL-KRWDZBQOSA-N 0 3 424.505 0.387 20 0 HCADHN CC[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCc2ccccc2C1 ZINC000029909449 1079669658 /nfs/dbraw/zinc/66/96/58/1079669658.db2.gz WXRRXMYAPWUQPL-QGZVFWFLSA-N 0 3 424.505 0.387 20 0 HCADHN COCCn1nc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)ccc1=O ZINC000030000603 1079673545 /nfs/dbraw/zinc/67/35/45/1079673545.db2.gz ZRDOXHQSHUDQCZ-HXUWFJFHSA-N 0 3 413.522 0.998 20 0 HCADHN Cn1ncc2c1ncn(CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)c2=O ZINC000030000738 1079673390 /nfs/dbraw/zinc/67/33/90/1079673390.db2.gz SHWKDAIIKYNNJW-LJQANCHMSA-N 0 3 423.521 0.625 20 0 HCADHN CCCS(=O)(=O)NC1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000030137100 1079675158 /nfs/dbraw/zinc/67/51/58/1079675158.db2.gz XUUFHKBTMOKBLU-UHFFFAOYSA-N 0 3 423.583 0.914 20 0 HCADHN CCCS(=O)(=O)NC1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000030137111 1079675018 /nfs/dbraw/zinc/67/50/18/1079675018.db2.gz VRPBTYZGSKWFLP-UHFFFAOYSA-N 0 3 424.571 0.309 20 0 HCADHN C[C@@H](NCC1(N2CCSCC2)CCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000030514100 1079683283 /nfs/dbraw/zinc/68/32/83/1079683283.db2.gz GSBBQFZSBJBXAJ-CYBMUJFWSA-N 0 3 409.556 0.189 20 0 HCADHN C[C@H](NCC1(N2CCSCC2)CCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000030514104 1079683022 /nfs/dbraw/zinc/68/30/22/1079683022.db2.gz GSBBQFZSBJBXAJ-ZDUSSCGKSA-N 0 3 409.556 0.189 20 0 HCADHN COc1ccc(CN(C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)c(OC)c1 ZINC000030776465 1079691033 /nfs/dbraw/zinc/69/10/33/1079691033.db2.gz ZHGWOYOISIUYRH-UHFFFAOYSA-N 0 3 401.467 0.973 20 0 HCADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000031152125 1079696363 /nfs/dbraw/zinc/69/63/63/1079696363.db2.gz KJZAHZITKMXCIE-UHFFFAOYSA-N 0 3 411.572 0.764 20 0 HCADHN CN1CCN(CCCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000031152159 1079696592 /nfs/dbraw/zinc/69/65/92/1079696592.db2.gz QWCBUERSEIKCRI-UHFFFAOYSA-N 0 3 423.583 0.730 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000031229619 1079700088 /nfs/dbraw/zinc/70/00/88/1079700088.db2.gz PVNFWAGNKQNHPK-HNNXBMFYSA-N 0 3 408.524 0.411 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000031229621 1079700061 /nfs/dbraw/zinc/70/00/61/1079700061.db2.gz PVNFWAGNKQNHPK-OAHLLOKOSA-N 0 3 408.524 0.411 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000031229635 1079700138 /nfs/dbraw/zinc/70/01/38/1079700138.db2.gz GCHAFBDIUOUJPB-HNNXBMFYSA-N 0 3 408.524 0.411 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000031229637 1079699833 /nfs/dbraw/zinc/69/98/33/1079699833.db2.gz GCHAFBDIUOUJPB-OAHLLOKOSA-N 0 3 408.524 0.411 20 0 HCADHN Cn1c2ncn(CC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000031565984 1079705172 /nfs/dbraw/zinc/70/51/72/1079705172.db2.gz DLUTZNCCHQDYLJ-MRXNPFEDSA-N 0 3 410.478 0.215 20 0 HCADHN Cn1c2ncn(CC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000031565986 1079705094 /nfs/dbraw/zinc/70/50/94/1079705094.db2.gz DLUTZNCCHQDYLJ-INIZCTEOSA-N 0 3 410.478 0.215 20 0 HCADHN Cn1c(=O)c2ccc(C(=O)NCC3(N4CCSCC4)CCCC3)nc2n(C)c1=O ZINC000031957849 1079713019 /nfs/dbraw/zinc/71/30/19/1079713019.db2.gz APPLYKUJNCYISJ-UHFFFAOYSA-N 0 3 417.535 0.724 20 0 HCADHN Cn1c(=O)c2cc(C(=O)NCC3(N4CCSCC4)CCCC3)cnc2n(C)c1=O ZINC000031958150 1079713381 /nfs/dbraw/zinc/71/33/81/1079713381.db2.gz GXPYNXXQMQKPAU-UHFFFAOYSA-N 0 3 417.535 0.724 20 0 HCADHN CCN(CC)[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccsc1 ZINC000031987403 1079713867 /nfs/dbraw/zinc/71/38/67/1079713867.db2.gz MEAHUCXSOVSFKP-AWEZNQCLSA-N 0 3 418.523 0.695 20 0 HCADHN CCN(CC)[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccsc1 ZINC000031987405 1079713955 /nfs/dbraw/zinc/71/39/55/1079713955.db2.gz MEAHUCXSOVSFKP-CQSZACIVSA-N 0 3 418.523 0.695 20 0 HCADHN CCN(CC)[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccsc1 ZINC000031988148 1079713851 /nfs/dbraw/zinc/71/38/51/1079713851.db2.gz ORUATIUIKRWCTC-AWEZNQCLSA-N 0 3 418.523 0.695 20 0 HCADHN CCN(CC)[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccsc1 ZINC000031988150 1079713929 /nfs/dbraw/zinc/71/39/29/1079713929.db2.gz ORUATIUIKRWCTC-CQSZACIVSA-N 0 3 418.523 0.695 20 0 HCADHN Cn1c2ncn(CCC(=O)NCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000032400563 1079721140 /nfs/dbraw/zinc/72/11/40/1079721140.db2.gz PPRZJWMZBOYEFH-UHFFFAOYSA-N 0 3 424.505 0.388 20 0 HCADHN CN1CCN(CCCNC(=O)Cn2nc3ccccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000033136041 1079737558 /nfs/dbraw/zinc/73/75/58/1079737558.db2.gz XYVMWTRKFIDUOX-LJQANCHMSA-N 0 3 408.506 0.991 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)N3CCCC3)cc2)CC1 ZINC000041247225 1079745185 /nfs/dbraw/zinc/74/51/85/1079745185.db2.gz AQEGVOYEIWIEBG-UHFFFAOYSA-N 0 3 401.511 0.501 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)N3CCCC3)c(C)c2)CC1 ZINC000041247479 1079745390 /nfs/dbraw/zinc/74/53/90/1079745390.db2.gz KWSVCDRGHSPQJN-UHFFFAOYSA-N 0 3 401.511 0.814 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)N1CCCC1 ZINC000041596649 1079750979 /nfs/dbraw/zinc/75/09/79/1079750979.db2.gz IDWKPGNRDPAMHH-INIZCTEOSA-N 0 3 417.510 0.496 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)N1CCCC1 ZINC000041596652 1079751562 /nfs/dbraw/zinc/75/15/62/1079751562.db2.gz IDWKPGNRDPAMHH-MRXNPFEDSA-N 0 3 417.510 0.496 20 0 HCADHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000041629211 1079751991 /nfs/dbraw/zinc/75/19/91/1079751991.db2.gz UACYGPVHPFCMGS-UHFFFAOYSA-N 0 3 419.551 0.740 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000041640306 1079753201 /nfs/dbraw/zinc/75/32/01/1079753201.db2.gz ZJALULUSKJEWBP-HNNXBMFYSA-N 0 3 406.483 0.319 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000041640308 1079753075 /nfs/dbraw/zinc/75/30/75/1079753075.db2.gz ZJALULUSKJEWBP-OAHLLOKOSA-N 0 3 406.483 0.319 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000041641253 1079753140 /nfs/dbraw/zinc/75/31/40/1079753140.db2.gz LRJSROKAUNRGRE-ZDUSSCGKSA-N 0 3 414.503 0.310 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000041641255 1079753524 /nfs/dbraw/zinc/75/35/24/1079753524.db2.gz LRJSROKAUNRGRE-CYBMUJFWSA-N 0 3 414.503 0.310 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000041641257 1079753223 /nfs/dbraw/zinc/75/32/23/1079753223.db2.gz DVLAJOLDFXOSET-HNNXBMFYSA-N 0 3 401.511 0.676 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000041641259 1079753107 /nfs/dbraw/zinc/75/31/07/1079753107.db2.gz DVLAJOLDFXOSET-OAHLLOKOSA-N 0 3 401.511 0.676 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000041641391 1079753029 /nfs/dbraw/zinc/75/30/29/1079753029.db2.gz JJOOSYSPNSOEQE-OAHLLOKOSA-N 0 3 401.511 0.660 20 0 HCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000041642508 1079753352 /nfs/dbraw/zinc/75/33/52/1079753352.db2.gz JSPQHJSRWVPLPF-GOSISDBHSA-N 0 3 411.458 0.932 20 0 HCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000041642565 1079753574 /nfs/dbraw/zinc/75/35/74/1079753574.db2.gz BEJROEONQDUENP-LJQANCHMSA-N 0 3 411.458 0.947 20 0 HCADHN NC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000041642672 1079753622 /nfs/dbraw/zinc/75/36/22/1079753622.db2.gz CADUTFINBUCGTP-LJQANCHMSA-N 0 3 410.474 0.188 20 0 HCADHN COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000041642683 1079753294 /nfs/dbraw/zinc/75/32/94/1079753294.db2.gz KQCZHFHTFOAAHY-LJQANCHMSA-N 0 3 411.458 0.947 20 0 HCADHN CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000041642693 1079753179 /nfs/dbraw/zinc/75/31/79/1079753179.db2.gz YJGMOPBHBGOGOV-LJQANCHMSA-N 0 3 410.474 0.520 20 0 HCADHN CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000041642713 1079752986 /nfs/dbraw/zinc/75/29/86/1079752986.db2.gz PEOWPAJNTUPPKN-LJQANCHMSA-N 0 3 410.474 0.520 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)N1CCC[C@@H](C)C1 ZINC000041653561 1080019713 /nfs/dbraw/zinc/01/97/13/1080019713.db2.gz IQZMJNJPFSDUGW-KGLIPLIRSA-N 0 3 403.483 0.077 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)N1CCC[C@H](C)C1 ZINC000041653567 1080019941 /nfs/dbraw/zinc/01/99/41/1080019941.db2.gz IQZMJNJPFSDUGW-KBPBESRZSA-N 0 3 403.483 0.077 20 0 HCADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1OCC(N)=O ZINC000041653700 1080020419 /nfs/dbraw/zinc/02/04/19/1080020419.db2.gz RMQMZMAGZDRTGR-KGLIPLIRSA-N 0 3 406.483 0.734 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000041659738 1079753430 /nfs/dbraw/zinc/75/34/30/1079753430.db2.gz LSHADXJOSKDYQS-UHFFFAOYSA-N 0 3 418.494 0.766 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000041660613 1079753485 /nfs/dbraw/zinc/75/34/85/1079753485.db2.gz JPNUSGIRKVUJLA-UHFFFAOYSA-N 0 3 402.495 0.946 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000041661075 1080020176 /nfs/dbraw/zinc/02/01/76/1080020176.db2.gz VPWQEHKUGZZVCZ-UHFFFAOYSA-N 0 3 402.495 0.946 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000041661081 1080020331 /nfs/dbraw/zinc/02/03/31/1080020331.db2.gz KHXUNUOWFQZYMY-UHFFFAOYSA-N 0 3 402.495 0.946 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000041661087 1079752910 /nfs/dbraw/zinc/75/29/10/1079752910.db2.gz HCQUVFQZMTZIJW-UHFFFAOYSA-N 0 3 416.522 0.875 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000041662012 1079754055 /nfs/dbraw/zinc/75/40/55/1079754055.db2.gz NZOGFJSVWXNPDO-UHFFFAOYSA-N 0 3 404.467 0.376 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000041662299 1079754445 /nfs/dbraw/zinc/75/44/45/1079754445.db2.gz CSNPBDYKUTXBLM-UHFFFAOYSA-N 0 3 408.524 0.914 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000041662549 1079754562 /nfs/dbraw/zinc/75/45/62/1079754562.db2.gz UCVSCSLELBCWIS-OAHLLOKOSA-N 0 3 418.494 0.909 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000041662556 1079754314 /nfs/dbraw/zinc/75/43/14/1079754314.db2.gz UCVSCSLELBCWIS-HNNXBMFYSA-N 0 3 418.494 0.909 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000041669454 1080020221 /nfs/dbraw/zinc/02/02/21/1080020221.db2.gz DJSVQKYRRZPCPA-MRXNPFEDSA-N 0 3 402.495 0.946 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000041669460 1080020482 /nfs/dbraw/zinc/02/04/82/1080020482.db2.gz DJSVQKYRRZPCPA-INIZCTEOSA-N 0 3 402.495 0.946 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 ZINC000041717969 1079754489 /nfs/dbraw/zinc/75/44/89/1079754489.db2.gz FFTAGCNAXOZQNG-UHFFFAOYSA-N 0 3 412.498 0.367 20 0 HCADHN CCN(Cc1ccccc1NC(=O)C(=O)NCCN1CCN(CC)CC1)C(C)=O ZINC000041718119 1079754168 /nfs/dbraw/zinc/75/41/68/1079754168.db2.gz VALUQJZDOHDPNY-UHFFFAOYSA-N 0 3 403.527 0.747 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000041718172 1079754587 /nfs/dbraw/zinc/75/45/87/1079754587.db2.gz DBYIUPVZHSQWHZ-UHFFFAOYSA-N 0 3 402.451 0.912 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000041718775 1079754238 /nfs/dbraw/zinc/75/42/38/1079754238.db2.gz OHKDWWLYVQEMMV-SFHVURJKSA-N 0 3 417.510 0.496 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000041718779 1079754462 /nfs/dbraw/zinc/75/44/62/1079754462.db2.gz OHKDWWLYVQEMMV-GOSISDBHSA-N 0 3 417.510 0.496 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(Cl)c2-n2cncn2)CC1 ZINC000041719035 1079754210 /nfs/dbraw/zinc/75/42/10/1079754210.db2.gz XZCBIIYCTWPOTN-UHFFFAOYSA-N 0 3 405.890 0.613 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 ZINC000041719043 1079754343 /nfs/dbraw/zinc/75/43/43/1079754343.db2.gz PLACUZWESNADKR-UHFFFAOYSA-N 0 3 415.538 0.923 20 0 HCADHN CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000041719187 1079754114 /nfs/dbraw/zinc/75/41/14/1079754114.db2.gz DLDNWKXDXCPDHX-UHFFFAOYSA-N 0 3 403.527 0.861 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 ZINC000041719195 1079754419 /nfs/dbraw/zinc/75/44/19/1079754419.db2.gz URNWJXDKAAFFEQ-UHFFFAOYSA-N 0 3 401.511 0.615 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000041719447 1079754023 /nfs/dbraw/zinc/75/40/23/1079754023.db2.gz KOESROKLNRUTIM-IBGZPJMESA-N 0 3 404.511 0.937 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000041719452 1079754401 /nfs/dbraw/zinc/75/44/01/1079754401.db2.gz KOESROKLNRUTIM-LJQANCHMSA-N 0 3 404.511 0.937 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000041719587 1079754621 /nfs/dbraw/zinc/75/46/21/1079754621.db2.gz QQMAZNOPNRIWMK-UHFFFAOYSA-N 0 3 410.540 0.563 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000041719695 1079754919 /nfs/dbraw/zinc/75/49/19/1079754919.db2.gz REDLCTCADBWLTE-UHFFFAOYSA-N 0 3 400.487 0.053 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000041719915 1079755066 /nfs/dbraw/zinc/75/50/66/1079755066.db2.gz KMXOKZIOECHOSH-UHFFFAOYSA-N 0 3 408.499 0.795 20 0 HCADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCN2CCN(CC)CC2)c1 ZINC000041720578 1079754970 /nfs/dbraw/zinc/75/49/70/1079754970.db2.gz GWRDPVRKRQOGAD-UHFFFAOYSA-N 0 3 403.527 0.827 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1 ZINC000041720635 1079755309 /nfs/dbraw/zinc/75/53/09/1079755309.db2.gz WBVMXRFNGRATFH-UHFFFAOYSA-N 0 3 403.527 0.779 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000041721078 1079755104 /nfs/dbraw/zinc/75/51/04/1079755104.db2.gz YASCXNGFYBAFOC-UHFFFAOYSA-N 0 3 401.511 0.896 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000041721118 1079755242 /nfs/dbraw/zinc/75/52/42/1079755242.db2.gz ZFRVYQQJBUGZTD-UHFFFAOYSA-N 0 3 401.511 0.661 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000041721157 1079755160 /nfs/dbraw/zinc/75/51/60/1079755160.db2.gz JIMIDMHLKHPUGA-UHFFFAOYSA-N 0 3 401.511 0.896 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)CN3CCOCC3)cc2)CC1 ZINC000041739738 1079756063 /nfs/dbraw/zinc/75/60/63/1079756063.db2.gz LZYPWJZSFZDUBU-SFHVURJKSA-N 0 3 417.554 0.600 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)CN3CCOCC3)cc2)CC1 ZINC000041739739 1079755950 /nfs/dbraw/zinc/75/59/50/1079755950.db2.gz LZYPWJZSFZDUBU-GOSISDBHSA-N 0 3 417.554 0.600 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CN3CCOCC3)c(C)c2)CC1 ZINC000041739866 1079756112 /nfs/dbraw/zinc/75/61/12/1079756112.db2.gz RVWWSAOLKMJSSB-SFHVURJKSA-N 0 3 417.554 0.912 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CN3CCOCC3)c(C)c2)CC1 ZINC000041739867 1079755809 /nfs/dbraw/zinc/75/58/09/1079755809.db2.gz RVWWSAOLKMJSSB-GOSISDBHSA-N 0 3 417.554 0.912 20 0 HCADHN Cc1cccc(N2CCN(CCCCNC(=O)CN3C(=O)CN(C)C3=O)CC2)c1 ZINC000041867632 1079758737 /nfs/dbraw/zinc/75/87/37/1079758737.db2.gz FBHRNTFRTGLCHG-UHFFFAOYSA-N 0 3 401.511 0.907 20 0 HCADHN Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCC3(N4CCSCC4)CCCC3)cnc21 ZINC000042073371 1079762650 /nfs/dbraw/zinc/76/26/50/1079762650.db2.gz XOXNCRDNTZFOTN-UHFFFAOYSA-N 0 3 403.508 0.713 20 0 HCADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172117 1079764920 /nfs/dbraw/zinc/76/49/20/1079764920.db2.gz CTNGSROGPNKPNF-GOEBONIOSA-N 0 3 410.478 0.385 20 0 HCADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172120 1079765096 /nfs/dbraw/zinc/76/50/96/1079765096.db2.gz CTNGSROGPNKPNF-GDBMZVCRSA-N 0 3 410.478 0.385 20 0 HCADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172123 1079765264 /nfs/dbraw/zinc/76/52/64/1079765264.db2.gz CTNGSROGPNKPNF-HOCLYGCPSA-N 0 3 410.478 0.385 20 0 HCADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172126 1079764777 /nfs/dbraw/zinc/76/47/77/1079764777.db2.gz CTNGSROGPNKPNF-ZBFHGGJFSA-N 0 3 410.478 0.385 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000042591915 1079770201 /nfs/dbraw/zinc/77/02/01/1079770201.db2.gz FNGPSGJASHWOIL-ZWKOTPCHSA-N 0 3 408.543 0.722 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000042591918 1079770039 /nfs/dbraw/zinc/77/00/39/1079770039.db2.gz FNGPSGJASHWOIL-QZTJIDSGSA-N 0 3 408.543 0.722 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000042591921 1079769686 /nfs/dbraw/zinc/76/96/86/1079769686.db2.gz FNGPSGJASHWOIL-ROUUACIJSA-N 0 3 408.543 0.722 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000042591924 1079769876 /nfs/dbraw/zinc/76/98/76/1079769876.db2.gz FNGPSGJASHWOIL-MSOLQXFVSA-N 0 3 408.543 0.722 20 0 HCADHN CCN1CCN(CCNC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000042592277 1079770659 /nfs/dbraw/zinc/77/06/59/1079770659.db2.gz ODJUDKAPXVIRMY-IERDGZPVSA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(CCNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000042592280 1079770593 /nfs/dbraw/zinc/77/05/93/1079770593.db2.gz ODJUDKAPXVIRMY-IIBYNOLFSA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(CCNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000042592283 1079770867 /nfs/dbraw/zinc/77/08/67/1079770867.db2.gz ODJUDKAPXVIRMY-KKSFZXQISA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(CCNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000042592286 1079771008 /nfs/dbraw/zinc/77/10/08/1079771008.db2.gz ODJUDKAPXVIRMY-HRAATJIYSA-N 0 3 407.559 0.877 20 0 HCADHN CN1CCN(C(=O)CCNC(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000043228141 1079785069 /nfs/dbraw/zinc/78/50/69/1079785069.db2.gz LXTHMYLWNVPCCJ-UHFFFAOYSA-N 0 3 416.570 0.268 20 0 HCADHN O=C(NCCN1CCCCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000043791277 1079790743 /nfs/dbraw/zinc/79/07/43/1079790743.db2.gz XHXBGYSGGIPIAE-UHFFFAOYSA-N 0 3 410.540 0.993 20 0 HCADHN CN(C)Cc1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000044293276 1080025476 /nfs/dbraw/zinc/02/54/76/1080025476.db2.gz BGDRVXBGPLTAKR-UHFFFAOYSA-N 0 3 411.528 0.475 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)NCCC(=O)N3CCOCC3)cc2)CC1 ZINC000045482212 1079803798 /nfs/dbraw/zinc/80/37/98/1079803798.db2.gz QKAUJZFSWPKHKO-UHFFFAOYSA-N 0 3 417.554 0.872 20 0 HCADHN CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000045781543 1079808561 /nfs/dbraw/zinc/80/85/61/1079808561.db2.gz ITBYZOMPPKDJHX-UHFFFAOYSA-N 0 3 416.570 0.397 20 0 HCADHN CN1CCN(Cc2ccc(CNC(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000045782165 1079808697 /nfs/dbraw/zinc/80/86/97/1079808697.db2.gz BPSINGUQLUNCRJ-UHFFFAOYSA-N 0 3 409.556 0.221 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000045844024 1079809801 /nfs/dbraw/zinc/80/98/01/1079809801.db2.gz DCZPAJJXLQALLE-UHFFFAOYSA-N 0 3 403.527 0.988 20 0 HCADHN CCN(CC)[C@@H](CNC(=O)CN1CCN(CC)C(=O)C1=O)c1cccc(OC)c1 ZINC000045878804 1079811763 /nfs/dbraw/zinc/81/17/63/1079811763.db2.gz ONYKWGVVSPKFQF-SFHVURJKSA-N 0 3 404.511 0.885 20 0 HCADHN CCN(CC)[C@H](CNC(=O)CN1CCN(CC)C(=O)C1=O)c1cccc(OC)c1 ZINC000045878807 1079811730 /nfs/dbraw/zinc/81/17/30/1079811730.db2.gz ONYKWGVVSPKFQF-GOSISDBHSA-N 0 3 404.511 0.885 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCN(C(=O)COC)CC3)cc2)CC1 ZINC000046120955 1079815350 /nfs/dbraw/zinc/81/53/50/1079815350.db2.gz FKLVNOOZWWRRKZ-UHFFFAOYSA-N 0 3 417.554 0.824 20 0 HCADHN CN1CCN(CCCNC(=O)CCCN2C(=O)CNC2=O)[C@H](c2ccccc2)C1 ZINC000046388270 1079821193 /nfs/dbraw/zinc/82/11/93/1079821193.db2.gz YCHAWDDPENGCOQ-SFHVURJKSA-N 0 3 401.511 0.813 20 0 HCADHN CN1CCN(CCCNC(=O)Cn2nc3ccccn3c2=O)[C@H](c2ccccc2)C1 ZINC000046388433 1079821163 /nfs/dbraw/zinc/82/11/63/1079821163.db2.gz XYVMWTRKFIDUOX-IBGZPJMESA-N 0 3 408.506 0.991 20 0 HCADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000046428520 1079821806 /nfs/dbraw/zinc/82/18/06/1079821806.db2.gz LKERGCSPYBVHFM-UHFFFAOYSA-N 0 3 413.522 0.567 20 0 HCADHN COCC(=O)N1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000046635124 1079826764 /nfs/dbraw/zinc/82/67/64/1079826764.db2.gz WNKMMRRSQCGWNV-UHFFFAOYSA-N 0 3 417.554 0.695 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000046892809 1079833930 /nfs/dbraw/zinc/83/39/30/1079833930.db2.gz ILJVHGLXJXYWGK-UHFFFAOYSA-N 0 3 415.538 0.813 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000046940067 1079835002 /nfs/dbraw/zinc/83/50/02/1079835002.db2.gz ZKVYNMKKDFHZKW-HXUWFJFHSA-N 0 3 402.539 0.935 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000046940070 1079835040 /nfs/dbraw/zinc/83/50/40/1079835040.db2.gz ZKVYNMKKDFHZKW-FQEVSTJZSA-N 0 3 402.539 0.935 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000046946918 1079835373 /nfs/dbraw/zinc/83/53/73/1079835373.db2.gz NJHSGFQIXUMMDS-DLBZAZTESA-N 0 3 416.522 0.953 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000046946919 1079835475 /nfs/dbraw/zinc/83/54/75/1079835475.db2.gz NJHSGFQIXUMMDS-IAGOWNOFSA-N 0 3 416.522 0.953 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000046946920 1079835339 /nfs/dbraw/zinc/83/53/39/1079835339.db2.gz NJHSGFQIXUMMDS-IRXDYDNUSA-N 0 3 416.522 0.953 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000046946921 1079835454 /nfs/dbraw/zinc/83/54/54/1079835454.db2.gz NJHSGFQIXUMMDS-SJORKVTESA-N 0 3 416.522 0.953 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000046947078 1079835313 /nfs/dbraw/zinc/83/53/13/1079835313.db2.gz QBCVFGVDFNJVLU-HNNXBMFYSA-N 0 3 412.556 0.701 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000046947079 1079835526 /nfs/dbraw/zinc/83/55/26/1079835526.db2.gz QBCVFGVDFNJVLU-OAHLLOKOSA-N 0 3 412.556 0.701 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 ZINC000046948380 1079835386 /nfs/dbraw/zinc/83/53/86/1079835386.db2.gz BWGGDGWGYFWESJ-AWEZNQCLSA-N 0 3 408.499 0.324 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 ZINC000046948381 1079835488 /nfs/dbraw/zinc/83/54/88/1079835488.db2.gz BWGGDGWGYFWESJ-CQSZACIVSA-N 0 3 408.499 0.324 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)CC1 ZINC000046948684 1079835463 /nfs/dbraw/zinc/83/54/63/1079835463.db2.gz XUIKLJNVZJXZEM-INIZCTEOSA-N 0 3 412.556 0.367 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)CC1 ZINC000046948685 1079835362 /nfs/dbraw/zinc/83/53/62/1079835362.db2.gz XUIKLJNVZJXZEM-MRXNPFEDSA-N 0 3 412.556 0.367 20 0 HCADHN CC1CCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000046956292 1079836092 /nfs/dbraw/zinc/83/60/92/1079836092.db2.gz QYAKLXFBRMVVBV-UHFFFAOYSA-N 0 3 408.524 0.269 20 0 HCADHN COc1ccc(C(=O)NCCN2CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000047140207 1079840454 /nfs/dbraw/zinc/84/04/54/1079840454.db2.gz WYBMYMOGKHFMOU-UHFFFAOYSA-N 0 3 411.524 0.932 20 0 HCADHN CN1CCN(CCCNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630012 1079848045 /nfs/dbraw/zinc/84/80/45/1079848045.db2.gz JWQSOBPRHUAZCJ-ZWKOTPCHSA-N 0 3 408.543 0.722 20 0 HCADHN CN1CCN(CCCNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630014 1079848149 /nfs/dbraw/zinc/84/81/49/1079848149.db2.gz JWQSOBPRHUAZCJ-QZTJIDSGSA-N 0 3 408.543 0.722 20 0 HCADHN CN1CCN(CCCNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630016 1079848087 /nfs/dbraw/zinc/84/80/87/1079848087.db2.gz JWQSOBPRHUAZCJ-ROUUACIJSA-N 0 3 408.543 0.722 20 0 HCADHN CN1CCN(CCCNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000047630018 1079848060 /nfs/dbraw/zinc/84/80/60/1079848060.db2.gz JWQSOBPRHUAZCJ-MSOLQXFVSA-N 0 3 408.543 0.722 20 0 HCADHN CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000047630609 1079848584 /nfs/dbraw/zinc/84/85/84/1079848584.db2.gz MCKQCODYRKFXRY-QZTJIDSGSA-N 0 3 407.536 0.612 20 0 HCADHN CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000047630611 1079848646 /nfs/dbraw/zinc/84/86/46/1079848646.db2.gz MCKQCODYRKFXRY-ZWKOTPCHSA-N 0 3 407.536 0.612 20 0 HCADHN CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000047630613 1079848603 /nfs/dbraw/zinc/84/86/03/1079848603.db2.gz MCKQCODYRKFXRY-MSOLQXFVSA-N 0 3 407.536 0.612 20 0 HCADHN CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000047630616 1079848665 /nfs/dbraw/zinc/84/86/65/1079848665.db2.gz MCKQCODYRKFXRY-ROUUACIJSA-N 0 3 407.536 0.612 20 0 HCADHN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2cc(C)nc(N)n2)CC1 ZINC000052077108 1080047627 /nfs/dbraw/zinc/04/76/27/1080047627.db2.gz YCWPBWALWKVBOE-UHFFFAOYSA-N 0 3 409.468 0.875 20 0 HCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000052590164 1080053354 /nfs/dbraw/zinc/05/33/54/1080053354.db2.gz QWRAQLOZMANRDC-OAHLLOKOSA-N 0 3 411.528 0.755 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000052654496 1080054518 /nfs/dbraw/zinc/05/45/18/1080054518.db2.gz NKAYNGWTPDBGDZ-UHFFFAOYSA-N 0 3 403.483 0.331 20 0 HCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052931769 1080056897 /nfs/dbraw/zinc/05/68/97/1080056897.db2.gz IUKSRUJZFJYBNG-WMZOPIPTSA-N 0 3 400.527 0.752 20 0 HCADHN CC(C)CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CCN(C)CC1 ZINC000053222824 1080060157 /nfs/dbraw/zinc/06/01/57/1080060157.db2.gz RXODOBPFIOLLDH-MRXNPFEDSA-N 0 3 412.556 0.731 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)cc2)CC1 ZINC000053238462 1080060665 /nfs/dbraw/zinc/06/06/65/1080060665.db2.gz YBAYLPOBTGJSCM-UHFFFAOYSA-N 0 3 413.522 0.758 20 0 HCADHN CN(CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)Cc1ccccc1 ZINC000053349396 1077324222 /nfs/dbraw/zinc/32/42/22/1077324222.db2.gz VONMLKMITACCIX-UHFFFAOYSA-N 0 3 406.508 0.897 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000053537436 1077818358 /nfs/dbraw/zinc/81/83/58/1077818358.db2.gz JOLOLWWGTZUTRD-GOSISDBHSA-N 0 3 403.527 0.538 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000053537439 1077818337 /nfs/dbraw/zinc/81/83/37/1077818337.db2.gz JOLOLWWGTZUTRD-SFHVURJKSA-N 0 3 403.527 0.538 20 0 HCADHN Cn1c(NCCCN2CCN(C)C[C@@H]2c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000053559230 1077829041 /nfs/dbraw/zinc/82/90/41/1077829041.db2.gz HMMFDFVSTKOQLY-MRXNPFEDSA-N 0 3 411.510 0.751 20 0 HCADHN Cn1c(NCCCN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000053559548 1077829183 /nfs/dbraw/zinc/82/91/83/1077829183.db2.gz URLDJVFCWFLMII-UHFFFAOYSA-N 0 3 411.510 0.580 20 0 HCADHN O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCC(CN2CCOCC2)CC1 ZINC000053569656 1077833160 /nfs/dbraw/zinc/83/31/60/1077833160.db2.gz NQKRAVXOOJRMTB-UHFFFAOYSA-N 0 3 412.490 0.829 20 0 HCADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000053996784 1080066768 /nfs/dbraw/zinc/06/67/68/1080066768.db2.gz SKKLJSHLSHSFAK-UHFFFAOYSA-N 0 3 413.478 0.640 20 0 HCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000054223665 1078013693 /nfs/dbraw/zinc/01/36/93/1078013693.db2.gz RMOCVNUOGQPGLT-OQIJWPOYSA-N 0 3 419.547 0.974 20 0 HCADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000054226152 1078013674 /nfs/dbraw/zinc/01/36/74/1078013674.db2.gz ONQQUEWHUMGKDP-HOCLYGCPSA-N 0 3 410.478 0.385 20 0 HCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000054226155 1078013748 /nfs/dbraw/zinc/01/37/48/1078013748.db2.gz ONQQUEWHUMGKDP-ZBFHGGJFSA-N 0 3 410.478 0.385 20 0 HCADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000054226760 1078013854 /nfs/dbraw/zinc/01/38/54/1078013854.db2.gz WSDVVLWKJCUHAI-HOCLYGCPSA-N 0 3 410.478 0.385 20 0 HCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000054226762 1078013985 /nfs/dbraw/zinc/01/39/85/1078013985.db2.gz WSDVVLWKJCUHAI-ZBFHGGJFSA-N 0 3 410.478 0.385 20 0 HCADHN Cc1cc(NC(=O)C2CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)no1 ZINC000054359941 1078014745 /nfs/dbraw/zinc/01/47/45/1078014745.db2.gz CCJFGJOULNNAQN-UHFFFAOYSA-N 0 3 415.454 0.081 20 0 HCADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000054465125 1078015553 /nfs/dbraw/zinc/01/55/53/1078015553.db2.gz QBJQXBRJRWVOFZ-ZDUSSCGKSA-N 0 3 407.268 0.690 20 0 HCADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000054465129 1078015435 /nfs/dbraw/zinc/01/54/35/1078015435.db2.gz QBJQXBRJRWVOFZ-CYBMUJFWSA-N 0 3 407.268 0.690 20 0 HCADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000054717941 1078017548 /nfs/dbraw/zinc/01/75/48/1078017548.db2.gz ASQJXGJFJYANTF-LPHOPBHVSA-N 0 3 413.522 0.954 20 0 HCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000054717943 1078017530 /nfs/dbraw/zinc/01/75/30/1078017530.db2.gz ASQJXGJFJYANTF-APWZRJJASA-N 0 3 413.522 0.954 20 0 HCADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000054720483 1078294330 /nfs/dbraw/zinc/29/43/30/1078294330.db2.gz YMNCEAFBJRRBRQ-WMZOPIPTSA-N 0 3 409.556 0.956 20 0 HCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000054720486 1078294194 /nfs/dbraw/zinc/29/41/94/1078294194.db2.gz YMNCEAFBJRRBRQ-AEFFLSMTSA-N 0 3 409.556 0.956 20 0 HCADHN CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000054846513 1078018895 /nfs/dbraw/zinc/01/88/95/1078018895.db2.gz NGGWIRGKTSZFKM-MRXNPFEDSA-N 0 3 403.527 0.907 20 0 HCADHN CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000054846516 1078019036 /nfs/dbraw/zinc/01/90/36/1078019036.db2.gz NGGWIRGKTSZFKM-INIZCTEOSA-N 0 3 403.527 0.907 20 0 HCADHN CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000054851317 1078019479 /nfs/dbraw/zinc/01/94/79/1078019479.db2.gz AFGOXALVKRNXAX-MRXNPFEDSA-N 0 3 403.527 0.907 20 0 HCADHN CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000054851319 1078019507 /nfs/dbraw/zinc/01/95/07/1078019507.db2.gz AFGOXALVKRNXAX-INIZCTEOSA-N 0 3 403.527 0.907 20 0 HCADHN CCCN1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000054943248 1078022254 /nfs/dbraw/zinc/02/22/54/1078022254.db2.gz GOKXBERYXQLAJB-UHFFFAOYSA-N 0 3 415.538 0.877 20 0 HCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCCN(Cc3ccccc3)CC2)CC1 ZINC000054992956 1078021424 /nfs/dbraw/zinc/02/14/24/1078021424.db2.gz OXVREPKKUSIEPC-UHFFFAOYSA-N 0 3 401.555 0.427 20 0 HCADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994275 1078021272 /nfs/dbraw/zinc/02/12/72/1078021272.db2.gz VOZNYQBCBKPOJS-RBUKOAKNSA-N 0 3 410.559 0.030 20 0 HCADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994276 1078021591 /nfs/dbraw/zinc/02/15/91/1078021591.db2.gz VOZNYQBCBKPOJS-OALUTQOASA-N 0 3 410.559 0.030 20 0 HCADHN CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994300 1078021755 /nfs/dbraw/zinc/02/17/55/1078021755.db2.gz PQNBJJAHLLKEPC-AEFFLSMTSA-N 0 3 409.527 0.747 20 0 HCADHN CCOC(=O)C1CCN(C(=O)[C@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994301 1078021663 /nfs/dbraw/zinc/02/16/63/1078021663.db2.gz PQNBJJAHLLKEPC-WMZOPIPTSA-N 0 3 409.527 0.747 20 0 HCADHN O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000054994416 1078021828 /nfs/dbraw/zinc/02/18/28/1078021828.db2.gz ZBZPIYRYBJGOSE-NRFANRHFSA-N 0 3 414.550 0.902 20 0 HCADHN O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000054994417 1078021701 /nfs/dbraw/zinc/02/17/01/1078021701.db2.gz ZBZPIYRYBJGOSE-OAQYLSRUSA-N 0 3 414.550 0.902 20 0 HCADHN CN(CC(=O)NCCCN1CCN(C)CC1)C(=O)c1ccc(Br)o1 ZINC000055046095 1078023112 /nfs/dbraw/zinc/02/31/12/1078023112.db2.gz MERPETLXEFXZER-UHFFFAOYSA-N 0 3 401.305 0.868 20 0 HCADHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000055588279 1078029426 /nfs/dbraw/zinc/02/94/26/1078029426.db2.gz KNOVTKYTNLXWFR-KZULUSFZSA-N 0 3 412.512 0.758 20 0 HCADHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000055588281 1078029590 /nfs/dbraw/zinc/02/95/90/1078029590.db2.gz KNOVTKYTNLXWFR-XIKOKIGWSA-N 0 3 412.512 0.758 20 0 HCADHN Cn1c2ncn(CCC(=O)N3CCN(CCC(C)(C)C)CC3)c2c(=O)n(C)c1=O ZINC000056043283 1078036331 /nfs/dbraw/zinc/03/63/31/1078036331.db2.gz MECVTGHJFONUJV-UHFFFAOYSA-N 0 3 404.515 0.404 20 0 HCADHN CN1CCN(CCCCNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC000056398850 1080078617 /nfs/dbraw/zinc/07/86/17/1080078617.db2.gz JUGMASQVOSFNML-UHFFFAOYSA-N 0 3 409.560 0.926 20 0 HCADHN CN1CCN(CCCCNC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000056398884 1080252485 /nfs/dbraw/zinc/25/24/85/1080252485.db2.gz KEZPIDKIIVVCTI-UHFFFAOYSA-N 0 3 416.570 0.980 20 0 HCADHN CCN1CCN(CC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C(=O)C1=O ZINC000056902710 1080283914 /nfs/dbraw/zinc/28/39/14/1080283914.db2.gz MEDPESHIRUPENI-LJQANCHMSA-N 0 3 415.538 0.172 20 0 HCADHN CCN1CCN(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C(=O)C1=O ZINC000056951140 1080286816 /nfs/dbraw/zinc/28/68/16/1080286816.db2.gz AQDRFSFUBWCLID-UHFFFAOYSA-N 0 3 415.538 0.001 20 0 HCADHN CN(C)C(=O)Cn1cc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)nn1 ZINC000056971871 1079861136 /nfs/dbraw/zinc/86/11/36/1079861136.db2.gz FLSGJVCCTKXRRJ-IBGZPJMESA-N 0 3 413.526 0.475 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000056982360 1079861742 /nfs/dbraw/zinc/86/17/42/1079861742.db2.gz PIZHDMPVDNNZMD-UHFFFAOYSA-N 0 3 413.526 0.434 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)c3cn(CC(=O)N(C)C)nn3)cc2)CC1 ZINC000056982815 1079862303 /nfs/dbraw/zinc/86/23/03/1079862303.db2.gz MUIPAOPDCCAYIF-UHFFFAOYSA-N 0 3 413.526 0.434 20 0 HCADHN CN(C)C(=O)Cn1cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)nn1 ZINC000056984073 1079862446 /nfs/dbraw/zinc/86/24/46/1079862446.db2.gz KKORTDUHXQGXND-UHFFFAOYSA-N 0 3 413.526 0.699 20 0 HCADHN Cn1c(=O)ccn(CC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c1=O ZINC000056993540 1080288955 /nfs/dbraw/zinc/28/89/55/1080288955.db2.gz BTEHRFYOQMYWOD-UHFFFAOYSA-N 0 3 413.522 0.261 20 0 HCADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000056996957 1079862918 /nfs/dbraw/zinc/86/29/18/1079862918.db2.gz HGHOOTVFSRKHCH-UHFFFAOYSA-N 0 3 409.284 0.890 20 0 HCADHN CC(=O)NCC(=O)NCC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000056997050 1079862877 /nfs/dbraw/zinc/86/28/77/1079862877.db2.gz XVXGBLYNXYBDMF-UHFFFAOYSA-N 0 3 413.316 0.592 20 0 HCADHN O=C(CN1CCS(=O)(=O)CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000057113959 1079867463 /nfs/dbraw/zinc/86/74/63/1079867463.db2.gz ISZAGTXPUQYFIC-UHFFFAOYSA-N 0 3 408.568 0.435 20 0 HCADHN C#CCN1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000057137680 1080081418 /nfs/dbraw/zinc/08/14/18/1080081418.db2.gz HPQWIJLVMAVBEE-UHFFFAOYSA-N 0 3 405.520 0.669 20 0 HCADHN O=C(C(=O)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1)N1CCOCC1 ZINC000057138753 1079868236 /nfs/dbraw/zinc/86/82/36/1079868236.db2.gz JAHFSQBQABWGTF-LJQANCHMSA-N 0 3 414.506 0.181 20 0 HCADHN O=C(C(=O)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1)N1CCOCC1 ZINC000057138754 1079868211 /nfs/dbraw/zinc/86/82/11/1079868211.db2.gz JAHFSQBQABWGTF-IBGZPJMESA-N 0 3 414.506 0.181 20 0 HCADHN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000057177517 1079870433 /nfs/dbraw/zinc/87/04/33/1079870433.db2.gz SYQBENAOWCMQCK-GOSISDBHSA-N 0 3 412.490 0.471 20 0 HCADHN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000057177519 1079870541 /nfs/dbraw/zinc/87/05/41/1079870541.db2.gz SYQBENAOWCMQCK-SFHVURJKSA-N 0 3 412.490 0.471 20 0 HCADHN CC1CCN(CCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000057213337 1079871791 /nfs/dbraw/zinc/87/17/91/1079871791.db2.gz KYLPLXSGEUCQNT-UHFFFAOYSA-N 0 3 410.540 0.632 20 0 HCADHN CN(CC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ncnc2[nH]cnc21 ZINC000057261716 1079873069 /nfs/dbraw/zinc/87/30/69/1079873069.db2.gz WSWBPWTYSCGRKT-OAHLLOKOSA-N 0 3 408.466 0.878 20 0 HCADHN CN(C)CCN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)c1ccccc1 ZINC000058297644 1079885265 /nfs/dbraw/zinc/88/52/65/1079885265.db2.gz ZGNWUQKCBDOAMK-UHFFFAOYSA-N 0 3 418.475 0.837 20 0 HCADHN COc1ccccc1C[C@H]1CCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000058525373 1079888649 /nfs/dbraw/zinc/88/86/49/1079888649.db2.gz SMRXEPFSRFHCRP-LJQANCHMSA-N 0 3 402.539 0.935 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc2oc1=O ZINC000058738094 1079891012 /nfs/dbraw/zinc/89/10/12/1079891012.db2.gz QHVAUCIAKHWOQA-UHFFFAOYSA-N 0 3 415.450 0.959 20 0 HCADHN CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1=O ZINC000058738189 1079890929 /nfs/dbraw/zinc/89/09/29/1079890929.db2.gz PAEXLZNOSWZQOL-LJQANCHMSA-N 0 3 403.439 0.815 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc2oc1=O ZINC000058738883 1079891027 /nfs/dbraw/zinc/89/10/27/1079891027.db2.gz IRNTVPCFRCXBSA-UHFFFAOYSA-N 0 3 410.496 0.766 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cc21 ZINC000058738912 1079891053 /nfs/dbraw/zinc/89/10/53/1079891053.db2.gz RYYHOVGXGJOTOO-UHFFFAOYSA-N 0 3 411.422 0.238 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)ccc2oc1=O ZINC000058739639 1079891003 /nfs/dbraw/zinc/89/10/03/1079891003.db2.gz ZIKATKJSCRYQLG-UHFFFAOYSA-N 0 3 423.429 0.798 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)Cn3nnc4ccccc4c3=O)ccc2oc1=O ZINC000058739678 1079890988 /nfs/dbraw/zinc/89/09/88/1079890988.db2.gz FITHAFWGVBWNDX-UHFFFAOYSA-N 0 3 408.418 0.900 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cn(CC(=O)N(C)C)nn3)cc21 ZINC000058740721 1079890962 /nfs/dbraw/zinc/89/09/62/1079890962.db2.gz OBILHPUICXCORY-UHFFFAOYSA-N 0 3 401.427 0.088 20 0 HCADHN CCN1CCN(CCNC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000058853608 1079892046 /nfs/dbraw/zinc/89/20/46/1079892046.db2.gz GZIDDPUXIHIQPX-UHFFFAOYSA-N 0 3 401.305 0.868 20 0 HCADHN CC(=O)NCC(=O)NCC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000058856073 1079892009 /nfs/dbraw/zinc/89/20/09/1079892009.db2.gz XLDZVOMYCLJUKE-UHFFFAOYSA-N 0 3 403.527 0.266 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000058883417 1079892485 /nfs/dbraw/zinc/89/24/85/1079892485.db2.gz WGSGHRDGCFYNGL-UHFFFAOYSA-N 0 3 410.540 0.467 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000058942594 1079893749 /nfs/dbraw/zinc/89/37/49/1079893749.db2.gz DMASPJBBNBBELG-MRXNPFEDSA-N 0 3 401.511 0.742 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)CSCC(=O)N3CCOCC3)cc21 ZINC000059004687 1079894311 /nfs/dbraw/zinc/89/43/11/1079894311.db2.gz QKEYSDZEUBFGMY-UHFFFAOYSA-N 0 3 422.507 0.687 20 0 HCADHN COc1cc2c(cc1OC)CN(C(=O)CSc1nnnn1CCN(C)C)CC2 ZINC000059352051 1079894704 /nfs/dbraw/zinc/89/47/04/1079894704.db2.gz PQVQFWSNWIILOA-UHFFFAOYSA-N 0 3 406.512 0.929 20 0 HCADHN CCN1CCN(CCCNC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000060092745 1079895864 /nfs/dbraw/zinc/89/58/64/1079895864.db2.gz YJDUAUGVIPVWHB-UHFFFAOYSA-N 0 3 401.305 0.916 20 0 HCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000060348584 1079897790 /nfs/dbraw/zinc/89/77/90/1079897790.db2.gz ZNLGWWDCBIGDAG-OAHLLOKOSA-N 0 3 418.585 0.371 20 0 HCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000060348585 1079897936 /nfs/dbraw/zinc/89/79/36/1079897936.db2.gz ZNLGWWDCBIGDAG-HNNXBMFYSA-N 0 3 418.585 0.371 20 0 HCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000060348594 1079897881 /nfs/dbraw/zinc/89/78/81/1079897881.db2.gz WFCRPAZFFUOWKD-CQSZACIVSA-N 0 3 423.539 0.253 20 0 HCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000060348595 1079897987 /nfs/dbraw/zinc/89/79/87/1079897987.db2.gz WFCRPAZFFUOWKD-AWEZNQCLSA-N 0 3 423.539 0.253 20 0 HCADHN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CCN(C)C)C[C@H]1CCCN1CC ZINC000060348596 1079897951 /nfs/dbraw/zinc/89/79/51/1079897951.db2.gz FEAFNVJSMAXWHS-CQSZACIVSA-N 0 3 401.533 0.623 20 0 HCADHN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CCN(C)C)C[C@@H]1CCCN1CC ZINC000060348597 1079897769 /nfs/dbraw/zinc/89/77/69/1079897769.db2.gz FEAFNVJSMAXWHS-AWEZNQCLSA-N 0 3 401.533 0.623 20 0 HCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000060348600 1079897854 /nfs/dbraw/zinc/89/78/54/1079897854.db2.gz DFOIFUWBYGHQFV-CQSZACIVSA-N 0 3 423.539 0.253 20 0 HCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000060348601 1079897916 /nfs/dbraw/zinc/89/79/16/1079897916.db2.gz DFOIFUWBYGHQFV-AWEZNQCLSA-N 0 3 423.539 0.253 20 0 HCADHN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000060470283 1079899422 /nfs/dbraw/zinc/89/94/22/1079899422.db2.gz UDMYKPGHKYIKPB-KRWDZBQOSA-N 0 3 407.536 0.993 20 0 HCADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000060472242 1079899404 /nfs/dbraw/zinc/89/94/04/1079899404.db2.gz AOPKJXLRWBCPMZ-UHFFFAOYSA-N 0 3 424.465 0.974 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCC(=O)NC(C)(C)C)ccc2oc1=O ZINC000060605800 1079900376 /nfs/dbraw/zinc/90/03/76/1079900376.db2.gz 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1080002497 /nfs/dbraw/zinc/00/24/97/1080002497.db2.gz ABKYSQCMEXIAIM-UHFFFAOYSA-N 0 3 416.457 0.163 20 0 HCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000065931643 1080002213 /nfs/dbraw/zinc/00/22/13/1080002213.db2.gz HYIHPPIVLLLUEY-UHFFFAOYSA-N 0 3 413.453 0.975 20 0 HCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000065936744 1080002349 /nfs/dbraw/zinc/00/23/49/1080002349.db2.gz VRZFAGHCXQGWQM-UHFFFAOYSA-N 0 3 413.931 0.942 20 0 HCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000065937676 1080002427 /nfs/dbraw/zinc/00/24/27/1080002427.db2.gz BNEDDULLTFEZGA-UHFFFAOYSA-N 0 3 415.466 0.567 20 0 HCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000065937807 1080002256 /nfs/dbraw/zinc/00/22/56/1080002256.db2.gz UFEGEXQOFRZTSU-UHFFFAOYSA-N 0 3 404.421 0.999 20 0 HCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000065938588 1080002587 /nfs/dbraw/zinc/00/25/87/1080002587.db2.gz QHWKATJTSOCGTD-UHFFFAOYSA-N 0 3 404.421 0.999 20 0 HCADHN CC(=O)NCC(=O)NCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000065938881 1080002316 /nfs/dbraw/zinc/00/23/16/1080002316.db2.gz CWYWHLODGJBUIL-UHFFFAOYSA-N 0 3 402.417 0.848 20 0 HCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000065939177 1080002561 /nfs/dbraw/zinc/00/25/61/1080002561.db2.gz ZOOJEDBJRAREQR-UHFFFAOYSA-N 0 3 416.457 0.163 20 0 HCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000065939684 1080002235 /nfs/dbraw/zinc/00/22/35/1080002235.db2.gz LSMLOICGSMOASU-UHFFFAOYSA-N 0 3 413.453 0.975 20 0 HCADHN CC(C)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000065962262 1080003103 /nfs/dbraw/zinc/00/31/03/1080003103.db2.gz VZEUNVMONLJHCL-UHFFFAOYSA-N 0 3 411.524 0.879 20 0 HCADHN COCCN(C(=O)CN(C)CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000065962454 1080002781 /nfs/dbraw/zinc/00/27/81/1080002781.db2.gz MTEGVXVXLXQYFQ-UHFFFAOYSA-N 0 3 417.510 0.734 20 0 HCADHN Cn1c2ncn(CCN3CCC(C(=O)NC4CCCCC4)CC3)c2c(=O)n(C)c1=O ZINC000065964822 1080003539 /nfs/dbraw/zinc/00/35/39/1080003539.db2.gz YLROCVJNRWFNCX-UHFFFAOYSA-N 0 3 416.526 0.595 20 0 HCADHN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000066048387 1080004203 /nfs/dbraw/zinc/00/42/03/1080004203.db2.gz YGMACUABESXRSZ-UHFFFAOYSA-N 0 3 412.490 0.716 20 0 HCADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c(=O)n2C ZINC000069250936 1078366645 /nfs/dbraw/zinc/36/66/45/1078366645.db2.gz GCONWWCXOKTROC-INIZCTEOSA-N 0 3 410.478 0.387 20 0 HCADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](c1ccccc1)N1CCCC1)c(=O)n2C ZINC000069250937 1078366728 /nfs/dbraw/zinc/36/67/28/1078366728.db2.gz GCONWWCXOKTROC-MRXNPFEDSA-N 0 3 410.478 0.387 20 0 HCADHN CN1CCC(N(Cc2ccco2)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000071838616 1078813346 /nfs/dbraw/zinc/81/33/46/1078813346.db2.gz GCSYBEGDDCWWLC-UHFFFAOYSA-N 0 3 414.466 0.150 20 0 HCADHN CN(CC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000071950733 1078832808 /nfs/dbraw/zinc/83/28/08/1078832808.db2.gz ZPVMWSPOPLBLKQ-HXUWFJFHSA-N 0 3 422.595 0.824 20 0 HCADHN CN(CC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000071950734 1078833167 /nfs/dbraw/zinc/83/31/67/1078833167.db2.gz ZPVMWSPOPLBLKQ-FQEVSTJZSA-N 0 3 422.595 0.824 20 0 HCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCN3CCN(C)CC3)cc(C(C)C)nc21 ZINC000072002736 1078835992 /nfs/dbraw/zinc/83/59/92/1078835992.db2.gz OQGPSZWMHGWWPW-UHFFFAOYSA-N 0 3 416.526 0.595 20 0 HCADHN CCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(CC)CC2)CC1 ZINC000072012859 1078836801 /nfs/dbraw/zinc/83/68/01/1078836801.db2.gz DZZAYTJAWKNECH-UHFFFAOYSA-N 0 3 402.605 0.972 20 0 HCADHN CNC(=O)CN1CCC(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000078871688 1078526354 /nfs/dbraw/zinc/52/63/54/1078526354.db2.gz CNLVUEPJGRPMOR-UHFFFAOYSA-N 0 3 401.555 0.915 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)CCn3nc4ccccn4c3=O)ccc2oc1=O ZINC000078872087 1078526262 /nfs/dbraw/zinc/52/62/62/1078526262.db2.gz QPMAADSMKOBTSZ-UHFFFAOYSA-N 0 3 410.434 0.994 20 0 HCADHN CCS(=O)(=O)c1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000108264559 1080296001 /nfs/dbraw/zinc/29/60/01/1080296001.db2.gz NXPNGBGCHQPZDX-UHFFFAOYSA-N 0 3 403.570 0.786 20 0 HCADHN CC(=O)N1c2ccc(S(=O)(=O)NCCCN3CCC[C@H](C(N)=O)C3)cc2C[C@H]1C ZINC000110541604 1080421711 /nfs/dbraw/zinc/42/17/11/1080421711.db2.gz RXMGVDMDKNZAIB-ZBFHGGJFSA-N 0 3 422.551 0.850 20 0 HCADHN CC(=O)N1c2ccc(S(=O)(=O)NCCCN3CCC[C@H](C(N)=O)C3)cc2C[C@@H]1C ZINC000110541606 1080421953 /nfs/dbraw/zinc/42/19/53/1080421953.db2.gz RXMGVDMDKNZAIB-HOCLYGCPSA-N 0 3 422.551 0.850 20 0 HCADHN COCCOc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1C ZINC000110547867 1080422021 /nfs/dbraw/zinc/42/20/21/1080422021.db2.gz AZIKFSMVUNQRFI-INIZCTEOSA-N 0 3 413.540 0.886 20 0 HCADHN COCCOc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1C ZINC000110547871 1080421535 /nfs/dbraw/zinc/42/15/35/1080421535.db2.gz AZIKFSMVUNQRFI-MRXNPFEDSA-N 0 3 413.540 0.886 20 0 HCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000110847886 1080448891 /nfs/dbraw/zinc/44/88/91/1080448891.db2.gz VBLXKQVELAHLDW-AWEZNQCLSA-N 0 3 411.528 0.116 20 0 HCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000110847889 1080449095 /nfs/dbraw/zinc/44/90/95/1080449095.db2.gz VBLXKQVELAHLDW-CQSZACIVSA-N 0 3 411.528 0.116 20 0 HCADHN COC(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000110849739 1080448704 /nfs/dbraw/zinc/44/87/04/1080448704.db2.gz MTQTYSMMTSMCHZ-ZDUSSCGKSA-N 0 3 417.915 0.992 20 0 HCADHN COC(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000110849742 1080449051 /nfs/dbraw/zinc/44/90/51/1080449051.db2.gz MTQTYSMMTSMCHZ-CYBMUJFWSA-N 0 3 417.915 0.992 20 0 HCADHN CC(=O)N1CCCc2cc(S(=O)(=O)NCCCN3CCC[C@H](C(N)=O)C3)ccc21 ZINC000110849744 1080448729 /nfs/dbraw/zinc/44/87/29/1080448729.db2.gz YMWNTYBMZNCYJH-KRWDZBQOSA-N 0 3 422.551 0.851 20 0 HCADHN CC(=O)N1CCCc2cc(S(=O)(=O)NCCCN3CCC[C@@H](C(N)=O)C3)ccc21 ZINC000110849747 1080448807 /nfs/dbraw/zinc/44/88/07/1080448807.db2.gz YMWNTYBMZNCYJH-QGZVFWFLSA-N 0 3 422.551 0.851 20 0 HCADHN CCS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000110850357 1080450058 /nfs/dbraw/zinc/45/00/58/1080450058.db2.gz RSUHETJPUIAXKQ-AWEZNQCLSA-N 0 3 417.553 0.346 20 0 HCADHN CCS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000110850359 1080450104 /nfs/dbraw/zinc/45/01/04/1080450104.db2.gz RSUHETJPUIAXKQ-CQSZACIVSA-N 0 3 417.553 0.346 20 0 HCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000111049182 1080479382 /nfs/dbraw/zinc/47/93/82/1080479382.db2.gz OMGKDUMASKAWBW-OAHLLOKOSA-N 0 3 419.569 0.716 20 0 HCADHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000111049185 1080479434 /nfs/dbraw/zinc/47/94/34/1080479434.db2.gz OMGKDUMASKAWBW-HNNXBMFYSA-N 0 3 419.569 0.716 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000116622167 1081071333 /nfs/dbraw/zinc/07/13/33/1081071333.db2.gz AKMJDZJXXWDARQ-KRWDZBQOSA-N 0 3 410.540 0.609 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000116622170 1081071427 /nfs/dbraw/zinc/07/14/27/1081071427.db2.gz AKMJDZJXXWDARQ-QGZVFWFLSA-N 0 3 410.540 0.609 20 0 HCADHN C[C@@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000116677415 1081076622 /nfs/dbraw/zinc/07/66/22/1081076622.db2.gz OEAFBCZMYOOLRW-LSDHHAIUSA-N 0 3 407.515 0.298 20 0 HCADHN C[C@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000116677417 1081076843 /nfs/dbraw/zinc/07/68/43/1081076843.db2.gz OEAFBCZMYOOLRW-HUUCEWRRSA-N 0 3 407.515 0.298 20 0 HCADHN COCCN1CCC(NC(=O)NNC(=O)c2cc(Br)cn2C)CC1 ZINC000140273358 1080213296 /nfs/dbraw/zinc/21/32/96/1080213296.db2.gz PXVUZJFEOQIPBH-UHFFFAOYSA-N 0 3 402.293 0.842 20 0 HCADHN CCN(CC)S(=O)(=O)N1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000140277100 1080213396 /nfs/dbraw/zinc/21/33/96/1080213396.db2.gz SIBYRJQFWQOXLH-UHFFFAOYSA-N 0 3 405.565 0.011 20 0 HCADHN COCCN1C[C@@H](C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1=O ZINC000195540223 1077617957 /nfs/dbraw/zinc/61/79/57/1077617957.db2.gz HBQHMDBFLSMPDW-VQTJNVASSA-N 0 3 402.539 0.976 20 0 HCADHN COCCN1C[C@H](C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1=O ZINC000195540225 1077617591 /nfs/dbraw/zinc/61/75/91/1077617591.db2.gz HBQHMDBFLSMPDW-WOJBJXKFSA-N 0 3 402.539 0.976 20 0 HCADHN CCN1CCN(CCCNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000195555922 1077618613 /nfs/dbraw/zinc/61/86/13/1077618613.db2.gz BYLRAIAWMSNNNR-UHFFFAOYSA-N 0 3 413.522 0.202 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000195591924 1077619114 /nfs/dbraw/zinc/61/91/14/1077619114.db2.gz JLQTZOHOMMRGOM-SFHVURJKSA-N 0 3 413.522 0.201 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000195591925 1077620042 /nfs/dbraw/zinc/62/00/42/1077620042.db2.gz JLQTZOHOMMRGOM-GOSISDBHSA-N 0 3 413.522 0.201 20 0 HCADHN C[C@@H](CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)CN1CCN(C)CC1 ZINC000195592411 1077620146 /nfs/dbraw/zinc/62/01/46/1077620146.db2.gz KPTFLLDATGTKOD-SFHVURJKSA-N 0 3 413.522 0.058 20 0 HCADHN C[C@H](CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)CN1CCN(C)CC1 ZINC000195592412 1077619974 /nfs/dbraw/zinc/61/99/74/1077619974.db2.gz KPTFLLDATGTKOD-GOSISDBHSA-N 0 3 413.522 0.058 20 0 HCADHN O=C(CCN1CCCS1(=O)=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000195651121 1077624244 /nfs/dbraw/zinc/62/42/44/1077624244.db2.gz VLZIVXWBNKRASJ-UHFFFAOYSA-N 0 3 408.568 0.736 20 0 HCADHN COCCN1CCC(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000195686613 1077624948 /nfs/dbraw/zinc/62/49/48/1077624948.db2.gz TZGKUJUOYBJKOA-UHFFFAOYSA-N 0 3 400.479 0.285 20 0 HCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000195724781 1077626223 /nfs/dbraw/zinc/62/62/23/1077626223.db2.gz RILZJHUUPVGKMB-UHFFFAOYSA-N 0 3 404.483 0.771 20 0 HCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000195724813 1077627057 /nfs/dbraw/zinc/62/70/57/1077627057.db2.gz AXQFGDIVNCMOQL-UHFFFAOYSA-N 0 3 404.483 0.771 20 0 HCADHN CN(Cc1ccccc1Br)C(=O)CCNCc1cn(C)c(=O)n(C)c1=O ZINC000237144310 1079238825 /nfs/dbraw/zinc/23/88/25/1079238825.db2.gz HFXSIFGWPIVGIV-UHFFFAOYSA-N 0 3 423.311 0.985 20 0 HCADHN CN(CCCC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000248052229 1078823226 /nfs/dbraw/zinc/82/32/26/1078823226.db2.gz RLSQCVPMWLFBSV-UHFFFAOYSA-N 0 3 414.547 0.980 20 0 HCADHN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000249851730 1078844396 /nfs/dbraw/zinc/84/43/96/1078844396.db2.gz AWQAQRWQMHRVLW-NVXWUHKLSA-N 0 3 420.535 0.930 20 0 HCADHN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000249851738 1078844414 /nfs/dbraw/zinc/84/44/14/1078844414.db2.gz AWQAQRWQMHRVLW-WBVHZDCISA-N 0 3 420.535 0.930 20 0 HCADHN CC(=O)N1c2ccc(S(=O)(=O)NCCCN3CCC[C@@H](C(N)=O)C3)cc2C[C@H]1C ZINC000251855507 1080435810 /nfs/dbraw/zinc/43/58/10/1080435810.db2.gz RXMGVDMDKNZAIB-GDBMZVCRSA-N 0 3 422.551 0.850 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000261374780 1081258921 /nfs/dbraw/zinc/25/89/21/1081258921.db2.gz WXLGTOJFUMVOMF-AWEZNQCLSA-N 0 3 402.586 0.936 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000261374781 1081258511 /nfs/dbraw/zinc/25/85/11/1081258511.db2.gz WXLGTOJFUMVOMF-CQSZACIVSA-N 0 3 402.586 0.936 20 0 HCADHN CN1CCN(CCCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000302719988 1077814357 /nfs/dbraw/zinc/81/43/57/1077814357.db2.gz SEIGGKZAQKGPSE-UHFFFAOYSA-N 0 3 422.473 0.737 20 0 HCADHN CN1CCN(CCCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000302853365 1077814980 /nfs/dbraw/zinc/81/49/80/1077814980.db2.gz BFCHPUAYUACOPS-UHFFFAOYSA-N 0 3 423.311 0.799 20 0 HCADHN CN1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000302929645 1077815599 /nfs/dbraw/zinc/81/55/99/1077815599.db2.gz FYNUGGVSSGHIPL-GOSISDBHSA-N 0 3 408.568 0.841 20 0 HCADHN CN1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000302929647 1077815664 /nfs/dbraw/zinc/81/56/64/1077815664.db2.gz FYNUGGVSSGHIPL-SFHVURJKSA-N 0 3 408.568 0.841 20 0 HCADHN CCNC(=O)CN1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000302959920 1077816112 /nfs/dbraw/zinc/81/61/12/1077816112.db2.gz GGIJZMKVJNWQGP-UHFFFAOYSA-N 0 3 401.555 0.718 20 0 HCADHN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1CCc2ccccc2C1 ZINC000303529582 1077824328 /nfs/dbraw/zinc/82/43/28/1077824328.db2.gz FMPNVDITEVKZGY-NRFANRHFSA-N 0 3 414.550 0.479 20 0 HCADHN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CCc2ccccc2C1 ZINC000303529584 1077824410 /nfs/dbraw/zinc/82/44/10/1077824410.db2.gz FMPNVDITEVKZGY-OAQYLSRUSA-N 0 3 414.550 0.479 20 0 HCADHN CC(C)[C@@H](CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)N1CCN(C)CC1 ZINC000303530417 1077239192 /nfs/dbraw/zinc/23/91/92/1077239192.db2.gz GIDNVHSXLUUELB-GOSISDBHSA-N 0 3 401.511 0.880 20 0 HCADHN CC(C)[C@H](CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)N1CCN(C)CC1 ZINC000303530419 1077239045 /nfs/dbraw/zinc/23/90/45/1077239045.db2.gz GIDNVHSXLUUELB-SFHVURJKSA-N 0 3 401.511 0.880 20 0 HCADHN NS(=O)(=O)N1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000303536211 1077824561 /nfs/dbraw/zinc/82/45/61/1077824561.db2.gz STAUXKFTKXOWEY-INIZCTEOSA-N 0 3 420.457 0.789 20 0 HCADHN NS(=O)(=O)N1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000303536220 1077824525 /nfs/dbraw/zinc/82/45/25/1077824525.db2.gz STAUXKFTKXOWEY-MRXNPFEDSA-N 0 3 420.457 0.789 20 0 HCADHN O=C(CN1CCN(C(=O)CN2CCC[C@]3(CC=CCC3)C2)CC1)N1CCOCC1 ZINC000303544601 1077824798 /nfs/dbraw/zinc/82/47/98/1077824798.db2.gz IQGPCBBRLUOVDN-JOCHJYFZSA-N 0 3 404.555 0.812 20 0 HCADHN O=C(CN1CCN(C(=O)CN2CCC[C@@]3(CC=CCC3)C2)CC1)N1CCOCC1 ZINC000303544602 1077824765 /nfs/dbraw/zinc/82/47/65/1077824765.db2.gz IQGPCBBRLUOVDN-QFIPXVFZSA-N 0 3 404.555 0.812 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1=O ZINC000303558345 1077245376 /nfs/dbraw/zinc/24/53/76/1077245376.db2.gz MXSAACGRVCXRJR-HNNXBMFYSA-N 0 3 404.486 0.957 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1=O ZINC000303558346 1077245307 /nfs/dbraw/zinc/24/53/07/1077245307.db2.gz MXSAACGRVCXRJR-OAHLLOKOSA-N 0 3 404.486 0.957 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1=O ZINC000303575885 1077251448 /nfs/dbraw/zinc/25/14/48/1077251448.db2.gz PVILIZCZHQHLML-HKUYNNGSSA-N 0 3 406.502 0.725 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1=O ZINC000303575886 1077251499 /nfs/dbraw/zinc/25/14/99/1077251499.db2.gz PVILIZCZHQHLML-IEBWSBKVSA-N 0 3 406.502 0.725 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1=O ZINC000303575887 1077251399 /nfs/dbraw/zinc/25/13/99/1077251399.db2.gz PVILIZCZHQHLML-MJGOQNOKSA-N 0 3 406.502 0.725 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1=O ZINC000303575888 1077251423 /nfs/dbraw/zinc/25/14/23/1077251423.db2.gz PVILIZCZHQHLML-PKOBYXMFSA-N 0 3 406.502 0.725 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1=O ZINC000303580070 1077252155 /nfs/dbraw/zinc/25/21/55/1077252155.db2.gz QUHZWZRBSMUNBL-KRWDZBQOSA-N 0 3 422.489 0.893 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1=O ZINC000303580071 1077252084 /nfs/dbraw/zinc/25/20/84/1077252084.db2.gz QUHZWZRBSMUNBL-QGZVFWFLSA-N 0 3 422.489 0.893 20 0 HCADHN C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000303580552 1077255615 /nfs/dbraw/zinc/25/56/15/1077255615.db2.gz QXFBEGGXRRBOLA-HNNXBMFYSA-N 0 3 416.975 0.960 20 0 HCADHN C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000303580553 1077255484 /nfs/dbraw/zinc/25/54/84/1077255484.db2.gz QXFBEGGXRRBOLA-OAHLLOKOSA-N 0 3 416.975 0.960 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O ZINC000303581786 1077255433 /nfs/dbraw/zinc/25/54/33/1077255433.db2.gz RFAOXQDQIKPRLK-MOPGFXCFSA-N 0 3 400.523 0.746 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O ZINC000303581787 1077255679 /nfs/dbraw/zinc/25/56/79/1077255679.db2.gz RFAOXQDQIKPRLK-OALUTQOASA-N 0 3 400.523 0.746 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O ZINC000303581788 1077255404 /nfs/dbraw/zinc/25/54/04/1077255404.db2.gz RFAOXQDQIKPRLK-RBUKOAKNSA-N 0 3 400.523 0.746 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O ZINC000303581789 1077255533 /nfs/dbraw/zinc/25/55/33/1077255533.db2.gz RFAOXQDQIKPRLK-RTBURBONSA-N 0 3 400.523 0.746 20 0 HCADHN Cc1ccc(CC(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000303581872 1077255643 /nfs/dbraw/zinc/25/56/43/1077255643.db2.gz RHKTUCAMNSHPIW-IBGZPJMESA-N 0 3 400.523 0.618 20 0 HCADHN Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000303581873 1077255879 /nfs/dbraw/zinc/25/58/79/1077255879.db2.gz RHKTUCAMNSHPIW-LJQANCHMSA-N 0 3 400.523 0.618 20 0 HCADHN Cc1oc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000303588250 1077256574 /nfs/dbraw/zinc/25/65/74/1077256574.db2.gz UEZWWGFHPHQIHF-HNNXBMFYSA-N 0 3 412.556 0.986 20 0 HCADHN Cc1oc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000303588252 1077256642 /nfs/dbraw/zinc/25/66/42/1077256642.db2.gz UEZWWGFHPHQIHF-OAHLLOKOSA-N 0 3 412.556 0.986 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1=O ZINC000303598706 1077258655 /nfs/dbraw/zinc/25/86/55/1077258655.db2.gz WYHBIQGZGRYDND-AWEZNQCLSA-N 0 3 424.343 0.903 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1=O ZINC000303598709 1077258711 /nfs/dbraw/zinc/25/87/11/1077258711.db2.gz WYHBIQGZGRYDND-CQSZACIVSA-N 0 3 424.343 0.903 20 0 HCADHN C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000303607709 1077260179 /nfs/dbraw/zinc/26/01/79/1077260179.db2.gz YJLRPSJXYUNVQT-HNNXBMFYSA-N 0 3 400.520 0.494 20 0 HCADHN C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000303607713 1077260144 /nfs/dbraw/zinc/26/01/44/1077260144.db2.gz YJLRPSJXYUNVQT-OAHLLOKOSA-N 0 3 400.520 0.494 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000303608702 1077260214 /nfs/dbraw/zinc/26/02/14/1077260214.db2.gz QTVMADDDPXFSEI-KRWDZBQOSA-N 0 3 410.584 0.917 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000303608703 1077260067 /nfs/dbraw/zinc/26/00/67/1077260067.db2.gz QTVMADDDPXFSEI-QGZVFWFLSA-N 0 3 410.584 0.917 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000303633890 1077261578 /nfs/dbraw/zinc/26/15/78/1077261578.db2.gz UKDNOXQGFBTGDK-INIZCTEOSA-N 0 3 414.547 0.884 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000303633892 1077261660 /nfs/dbraw/zinc/26/16/60/1077261660.db2.gz UKDNOXQGFBTGDK-MRXNPFEDSA-N 0 3 414.547 0.884 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1=O ZINC000303647213 1077826718 /nfs/dbraw/zinc/82/67/18/1077826718.db2.gz AFJVAVIFNDFRBO-AWEZNQCLSA-N 0 3 408.449 0.659 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1=O ZINC000303647215 1077826659 /nfs/dbraw/zinc/82/66/59/1077826659.db2.gz AFJVAVIFNDFRBO-CQSZACIVSA-N 0 3 408.449 0.659 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)NCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000303698391 1080356875 /nfs/dbraw/zinc/35/68/75/1080356875.db2.gz NPBKMXPGLNTRTN-GFCCVEGCSA-N 0 3 411.300 0.914 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)NCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000303698392 1080356970 /nfs/dbraw/zinc/35/69/70/1080356970.db2.gz NPBKMXPGLNTRTN-LBPRGKRZSA-N 0 3 411.300 0.914 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC1 ZINC000303719398 1080357628 /nfs/dbraw/zinc/35/76/28/1080357628.db2.gz RJELJEHRTYIOKQ-IBGZPJMESA-N 0 3 413.526 0.778 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1 ZINC000303719401 1080357715 /nfs/dbraw/zinc/35/77/15/1080357715.db2.gz RJELJEHRTYIOKQ-LJQANCHMSA-N 0 3 413.526 0.778 20 0 HCADHN Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)nc(C(C)C)n1 ZINC000303872437 1080364161 /nfs/dbraw/zinc/36/41/61/1080364161.db2.gz VDSLAKREGUVTDM-KRWDZBQOSA-N 0 3 402.543 0.967 20 0 HCADHN Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)nc(C(C)C)n1 ZINC000303872438 1080363957 /nfs/dbraw/zinc/36/39/57/1080363957.db2.gz VDSLAKREGUVTDM-QGZVFWFLSA-N 0 3 402.543 0.967 20 0 HCADHN NC(=O)C1(NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 ZINC000428767073 1074638921 /nfs/dbraw/zinc/63/89/21/1074638921.db2.gz VUVOUTALLWIYEW-UHFFFAOYSA-N 0 3 411.524 0.864 20 0 HCADHN CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428772181 1074704994 /nfs/dbraw/zinc/70/49/94/1074704994.db2.gz KXDAJTGGSFDCCH-GOSISDBHSA-N 0 3 412.531 0.830 20 0 HCADHN CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428772182 1074704853 /nfs/dbraw/zinc/70/48/53/1074704853.db2.gz KXDAJTGGSFDCCH-SFHVURJKSA-N 0 3 412.531 0.830 20 0 HCADHN COC(=O)[C@@]1(c2ccccc2)CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000428779424 1074780884 /nfs/dbraw/zinc/78/08/84/1074780884.db2.gz FNQBVQRCORQOGJ-NRFANRHFSA-N 0 3 411.462 0.250 20 0 HCADHN COC(=O)[C@]1(c2ccccc2)CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000428779425 1074780995 /nfs/dbraw/zinc/78/09/95/1074780995.db2.gz FNQBVQRCORQOGJ-OAQYLSRUSA-N 0 3 411.462 0.250 20 0 HCADHN CCS(=O)(=O)NCCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428782715 1074820288 /nfs/dbraw/zinc/82/02/88/1074820288.db2.gz ILRFOBPAAKEKAL-GOSISDBHSA-N 0 3 412.556 0.906 20 0 HCADHN CCS(=O)(=O)NCCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428782717 1074820365 /nfs/dbraw/zinc/82/03/65/1074820365.db2.gz ILRFOBPAAKEKAL-SFHVURJKSA-N 0 3 412.556 0.906 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CN(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785925 1075321192 /nfs/dbraw/zinc/32/11/92/1075321192.db2.gz MOHHXHGPBGIEQM-FQEVSTJZSA-N 0 3 422.595 0.995 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785926 1075321154 /nfs/dbraw/zinc/32/11/54/1075321154.db2.gz MOHHXHGPBGIEQM-HXUWFJFHSA-N 0 3 422.595 0.995 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCn1c2ccccc2[nH]c1=O ZINC000428803140 1075576322 /nfs/dbraw/zinc/57/63/22/1075576322.db2.gz KUKCJNVIFDNCMZ-KRWDZBQOSA-N 0 3 402.499 0.984 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCn1c2ccccc2[nH]c1=O ZINC000428803141 1075576195 /nfs/dbraw/zinc/57/61/95/1075576195.db2.gz KUKCJNVIFDNCMZ-QGZVFWFLSA-N 0 3 402.499 0.984 20 0 HCADHN CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808847 1075667385 /nfs/dbraw/zinc/66/73/85/1075667385.db2.gz UZVHVMOYIASCES-GFCCVEGCSA-N 0 3 402.904 0.733 20 0 HCADHN CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428808848 1075667244 /nfs/dbraw/zinc/66/72/44/1075667244.db2.gz UZVHVMOYIASCES-LBPRGKRZSA-N 0 3 402.904 0.733 20 0 HCADHN CCS(=O)(=O)NCCNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000428817770 1077549161 /nfs/dbraw/zinc/54/91/61/1077549161.db2.gz NWUBRZDZVWOYSY-HOTGVXAUSA-N 0 3 404.577 0.847 20 0 HCADHN CCS(=O)(=O)NCCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000428817771 1077548989 /nfs/dbraw/zinc/54/89/89/1077548989.db2.gz NWUBRZDZVWOYSY-HZPDHXFCSA-N 0 3 404.577 0.847 20 0 HCADHN CCS(=O)(=O)NCCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000428817772 1077564956 /nfs/dbraw/zinc/56/49/56/1077564956.db2.gz NWUBRZDZVWOYSY-IYBDPMFKSA-N 0 3 404.577 0.847 20 0 HCADHN COCCN1C(=O)CCc2cc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)ccc21 ZINC000428856301 1081278109 /nfs/dbraw/zinc/27/81/09/1081278109.db2.gz MCXZIXUHCBNLEH-INIZCTEOSA-N 0 3 402.495 0.961 20 0 HCADHN COCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)ccc21 ZINC000428856303 1081278126 /nfs/dbraw/zinc/27/81/26/1081278126.db2.gz MCXZIXUHCBNLEH-MRXNPFEDSA-N 0 3 402.495 0.961 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428864107 1081284317 /nfs/dbraw/zinc/28/43/17/1081284317.db2.gz BJJGJKQNUHILLX-DLBZAZTESA-N 0 3 416.530 0.751 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428864108 1081284291 /nfs/dbraw/zinc/28/42/91/1081284291.db2.gz BJJGJKQNUHILLX-IAGOWNOFSA-N 0 3 416.530 0.751 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428864109 1081284355 /nfs/dbraw/zinc/28/43/55/1081284355.db2.gz BJJGJKQNUHILLX-IRXDYDNUSA-N 0 3 416.530 0.751 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428864110 1081284400 /nfs/dbraw/zinc/28/44/00/1081284400.db2.gz BJJGJKQNUHILLX-SJORKVTESA-N 0 3 416.530 0.751 20 0 HCADHN COCCN1CC[C@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000428865350 1081287654 /nfs/dbraw/zinc/28/76/54/1081287654.db2.gz DNPOSNOTCNCEKI-CVEARBPZSA-N 0 3 402.503 0.361 20 0 HCADHN COCCN1CC[C@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000428865352 1081287430 /nfs/dbraw/zinc/28/74/30/1081287430.db2.gz DNPOSNOTCNCEKI-HOTGVXAUSA-N 0 3 402.503 0.361 20 0 HCADHN COCCN1CC[C@@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000428865354 1081287512 /nfs/dbraw/zinc/28/75/12/1081287512.db2.gz DNPOSNOTCNCEKI-HZPDHXFCSA-N 0 3 402.503 0.361 20 0 HCADHN COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000428865355 1081287439 /nfs/dbraw/zinc/28/74/39/1081287439.db2.gz DNPOSNOTCNCEKI-JKSUJKDBSA-N 0 3 402.503 0.361 20 0 HCADHN COCCN1CCC(NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000428957076 1081353719 /nfs/dbraw/zinc/35/37/19/1081353719.db2.gz RTPQXJUROPUGEU-INIZCTEOSA-N 0 3 416.530 0.751 20 0 HCADHN COCCN1CCC(NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000428957079 1081353996 /nfs/dbraw/zinc/35/39/96/1081353996.db2.gz RTPQXJUROPUGEU-MRXNPFEDSA-N 0 3 416.530 0.751 20 0 HCADHN CN(C)C(=O)Cn1cc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000428957230 1081353784 /nfs/dbraw/zinc/35/37/84/1081353784.db2.gz PZPSTBXVTWHRSY-FQEVSTJZSA-N 0 3 400.483 0.075 20 0 HCADHN CN(C)C(=O)Cn1cc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000428957231 1081353937 /nfs/dbraw/zinc/35/39/37/1081353937.db2.gz PZPSTBXVTWHRSY-HXUWFJFHSA-N 0 3 400.483 0.075 20 0 HCADHN O=C(NCCNC(=O)c1ccn[nH]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428960732 1081353972 /nfs/dbraw/zinc/35/39/72/1081353972.db2.gz JCYKNKYIACLOFN-KRWDZBQOSA-N 0 3 400.483 0.730 20 0 HCADHN O=C(NCCNC(=O)c1ccn[nH]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428960733 1081353754 /nfs/dbraw/zinc/35/37/54/1081353754.db2.gz JCYKNKYIACLOFN-QGZVFWFLSA-N 0 3 400.483 0.730 20 0 HCADHN CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000428968750 1081356550 /nfs/dbraw/zinc/35/65/50/1081356550.db2.gz PMNFKURXLUJBNV-MOPGFXCFSA-N 0 3 424.567 0.858 20 0 HCADHN CS(=O)(=O)N1CC[C@@H](CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000428968751 1081356290 /nfs/dbraw/zinc/35/62/90/1081356290.db2.gz PMNFKURXLUJBNV-OALUTQOASA-N 0 3 424.567 0.858 20 0 HCADHN CS(=O)(=O)N1CC[C@@H](CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000428968752 1081356245 /nfs/dbraw/zinc/35/62/45/1081356245.db2.gz PMNFKURXLUJBNV-RBUKOAKNSA-N 0 3 424.567 0.858 20 0 HCADHN CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000428968753 1081356420 /nfs/dbraw/zinc/35/64/20/1081356420.db2.gz PMNFKURXLUJBNV-RTBURBONSA-N 0 3 424.567 0.858 20 0 HCADHN O=C(NC[C@H]1CS(=O)(=O)CCO1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428976254 1081358270 /nfs/dbraw/zinc/35/82/70/1081358270.db2.gz LDFIVLPJCUSHAB-MSOLQXFVSA-N 0 3 411.524 0.390 20 0 HCADHN O=C(NC[C@@H]1CS(=O)(=O)CCO1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428976256 1081358092 /nfs/dbraw/zinc/35/80/92/1081358092.db2.gz LDFIVLPJCUSHAB-QZTJIDSGSA-N 0 3 411.524 0.390 20 0 HCADHN O=C(NC[C@H]1CS(=O)(=O)CCO1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428976257 1081358226 /nfs/dbraw/zinc/35/82/26/1081358226.db2.gz LDFIVLPJCUSHAB-ROUUACIJSA-N 0 3 411.524 0.390 20 0 HCADHN O=C(NC[C@@H]1CS(=O)(=O)CCO1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428976258 1081358159 /nfs/dbraw/zinc/35/81/59/1081358159.db2.gz LDFIVLPJCUSHAB-ZWKOTPCHSA-N 0 3 411.524 0.390 20 0 HCADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000428980468 1081359839 /nfs/dbraw/zinc/35/98/39/1081359839.db2.gz UXJQYLZASAGAII-NRFANRHFSA-N 0 3 408.462 0.537 20 0 HCADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000428980472 1081360302 /nfs/dbraw/zinc/36/03/02/1081360302.db2.gz UXJQYLZASAGAII-OAQYLSRUSA-N 0 3 408.462 0.537 20 0 HCADHN Cc1oc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000428980625 1081359676 /nfs/dbraw/zinc/35/96/76/1081359676.db2.gz WDFHSPVKXNBMQR-IBGZPJMESA-N 0 3 407.492 0.944 20 0 HCADHN Cc1oc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000428980626 1081359793 /nfs/dbraw/zinc/35/97/93/1081359793.db2.gz WDFHSPVKXNBMQR-LJQANCHMSA-N 0 3 407.492 0.944 20 0 HCADHN CCS(=O)(=O)N1CC(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000428991075 1081361949 /nfs/dbraw/zinc/36/19/49/1081361949.db2.gz HHOIGOYLLQPTBT-IBGZPJMESA-N 0 3 424.567 0.858 20 0 HCADHN CCS(=O)(=O)N1CC(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000428991076 1081362005 /nfs/dbraw/zinc/36/20/05/1081362005.db2.gz HHOIGOYLLQPTBT-LJQANCHMSA-N 0 3 424.567 0.858 20 0 HCADHN CS(=O)(=O)N1CC(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000428999875 1081364556 /nfs/dbraw/zinc/36/45/56/1081364556.db2.gz FNPBVZYPBIXBCI-GOSISDBHSA-N 0 3 410.540 0.468 20 0 HCADHN CS(=O)(=O)N1CC(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000428999877 1081364522 /nfs/dbraw/zinc/36/45/22/1081364522.db2.gz FNPBVZYPBIXBCI-SFHVURJKSA-N 0 3 410.540 0.468 20 0 HCADHN COC(=O)Cn1cc(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000429013177 1081368359 /nfs/dbraw/zinc/36/83/59/1081368359.db2.gz UUPKJIFLMGDUMY-GOSISDBHSA-N 0 3 416.482 0.541 20 0 HCADHN COC(=O)Cn1cc(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000429013178 1081368274 /nfs/dbraw/zinc/36/82/74/1081368274.db2.gz UUPKJIFLMGDUMY-SFHVURJKSA-N 0 3 416.482 0.541 20 0 HCADHN COCCN1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC000429018020 1081369355 /nfs/dbraw/zinc/36/93/55/1081369355.db2.gz HEINSLPLLUYHRF-IBGZPJMESA-N 0 3 404.511 0.778 20 0 HCADHN COCCN1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC000429018024 1081369652 /nfs/dbraw/zinc/36/96/52/1081369652.db2.gz HEINSLPLLUYHRF-LJQANCHMSA-N 0 3 404.511 0.778 20 0 HCADHN CCNC(=O)CN1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429018368 1081369260 /nfs/dbraw/zinc/36/92/60/1081369260.db2.gz GSNZZWPXZVRGCM-FQEVSTJZSA-N 0 3 417.554 0.741 20 0 HCADHN CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429018369 1081369388 /nfs/dbraw/zinc/36/93/88/1081369388.db2.gz GSNZZWPXZVRGCM-HXUWFJFHSA-N 0 3 417.554 0.741 20 0 HCADHN CS(=O)(=O)N1CCCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429019146 1081370990 /nfs/dbraw/zinc/37/09/90/1081370990.db2.gz KHTBAZWNMUVNOT-IBGZPJMESA-N 0 3 424.567 0.954 20 0 HCADHN CS(=O)(=O)N1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429019151 1081371134 /nfs/dbraw/zinc/37/11/34/1081371134.db2.gz KHTBAZWNMUVNOT-LJQANCHMSA-N 0 3 424.567 0.954 20 0 HCADHN C[C@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCN1S(C)(=O)=O ZINC000429020608 1081373193 /nfs/dbraw/zinc/37/31/93/1081373193.db2.gz MLBSGQSQHRDGSC-HKUYNNGSSA-N 0 3 424.567 0.953 20 0 HCADHN C[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCN1S(C)(=O)=O ZINC000429020609 1081373064 /nfs/dbraw/zinc/37/30/64/1081373064.db2.gz MLBSGQSQHRDGSC-PKOBYXMFSA-N 0 3 424.567 0.953 20 0 HCADHN CS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429026631 1081374270 /nfs/dbraw/zinc/37/42/70/1081374270.db2.gz ZRZLSSFVLMZBOF-GOSISDBHSA-N 0 3 410.540 0.564 20 0 HCADHN CS(=O)(=O)N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429026634 1081374223 /nfs/dbraw/zinc/37/42/23/1081374223.db2.gz ZRZLSSFVLMZBOF-SFHVURJKSA-N 0 3 410.540 0.564 20 0 HCADHN CN(C)C(=O)Cn1ccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000429028051 1081373591 /nfs/dbraw/zinc/37/35/91/1081373591.db2.gz FUOQBVNSAUMLGR-SFHVURJKSA-N 0 3 414.510 1.384 20 0 HCADHN CN(CC(=O)N1CCOCC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429031370 1081374744 /nfs/dbraw/zinc/37/47/44/1081374744.db2.gz UCPZBIOMIJDRFH-IBGZPJMESA-N 0 3 404.511 0.778 20 0 HCADHN CN(CC(=O)N1CCOCC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429031371 1081374517 /nfs/dbraw/zinc/37/45/17/1081374517.db2.gz UCPZBIOMIJDRFH-LJQANCHMSA-N 0 3 404.511 0.778 20 0 HCADHN CC(C)(C(N)=O)N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429034104 1081375030 /nfs/dbraw/zinc/37/50/30/1081375030.db2.gz HKODVTOITKWPCZ-IBGZPJMESA-N 0 3 417.554 0.869 20 0 HCADHN CC(C)(C(N)=O)N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429034105 1081375153 /nfs/dbraw/zinc/37/51/53/1081375153.db2.gz HKODVTOITKWPCZ-LJQANCHMSA-N 0 3 417.554 0.869 20 0 HCADHN CC(=O)NC[C@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000429035822 1081375799 /nfs/dbraw/zinc/37/57/99/1081375799.db2.gz OABDKIUTYJGBRZ-PMACEKPBSA-N 0 3 404.511 0.824 20 0 HCADHN CC(=O)NC[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000429035823 1081375762 /nfs/dbraw/zinc/37/57/62/1081375762.db2.gz OABDKIUTYJGBRZ-UXHICEINSA-N 0 3 404.511 0.824 20 0 HCADHN CC(=O)NC[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000429035824 1081375710 /nfs/dbraw/zinc/37/57/10/1081375710.db2.gz OABDKIUTYJGBRZ-VQTJNVASSA-N 0 3 404.511 0.824 20 0 HCADHN CC(=O)NC[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000429035825 1081375861 /nfs/dbraw/zinc/37/58/61/1081375861.db2.gz OABDKIUTYJGBRZ-WOJBJXKFSA-N 0 3 404.511 0.824 20 0 HCADHN CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429037520 1081376764 /nfs/dbraw/zinc/37/67/64/1081376764.db2.gz XYJFCKAYCRNRGO-LEWJYISDSA-N 0 3 420.554 0.612 20 0 HCADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429037521 1081376669 /nfs/dbraw/zinc/37/66/69/1081376669.db2.gz XYJFCKAYCRNRGO-NHCUHLMSSA-N 0 3 420.554 0.612 20 0 HCADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429037522 1081376710 /nfs/dbraw/zinc/37/67/10/1081376710.db2.gz XYJFCKAYCRNRGO-RTWAWAEBSA-N 0 3 420.554 0.612 20 0 HCADHN CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429037523 1081376880 /nfs/dbraw/zinc/37/68/80/1081376880.db2.gz XYJFCKAYCRNRGO-SFTDATJTSA-N 0 3 420.554 0.612 20 0 HCADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429040225 1081378417 /nfs/dbraw/zinc/37/84/17/1081378417.db2.gz KUKMUCCYMBNFQG-MSOLQXFVSA-N 0 3 410.540 0.611 20 0 HCADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429040230 1081378261 /nfs/dbraw/zinc/37/82/61/1081378261.db2.gz KUKMUCCYMBNFQG-QZTJIDSGSA-N 0 3 410.540 0.611 20 0 HCADHN CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429040231 1081378350 /nfs/dbraw/zinc/37/83/50/1081378350.db2.gz KUKMUCCYMBNFQG-ROUUACIJSA-N 0 3 410.540 0.611 20 0 HCADHN CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429040232 1081378457 /nfs/dbraw/zinc/37/84/57/1081378457.db2.gz 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COC(=O)Cn1cc(S(=O)(=O)NCC2(N3CCC(OC)CC3)CCCC2)cn1 ZINC000462272865 1075319984 /nfs/dbraw/zinc/31/99/84/1075319984.db2.gz WTBJZZJKZHLEEJ-UHFFFAOYSA-N 0 3 414.528 0.758 20 0 HCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462273194 1075319662 /nfs/dbraw/zinc/31/96/62/1075319662.db2.gz QNAZYUYXHBHLAP-HNNXBMFYSA-N 0 3 422.511 0.950 20 0 HCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462273196 1075319485 /nfs/dbraw/zinc/31/94/85/1075319485.db2.gz QNAZYUYXHBHLAP-OAHLLOKOSA-N 0 3 422.511 0.950 20 0 HCADHN COC(=O)c1ccccc1CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000462273230 1075319539 /nfs/dbraw/zinc/31/95/39/1075319539.db2.gz QSVDCYHFYYVCOU-UHFFFAOYSA-N 0 3 409.508 0.543 20 0 HCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462274129 1075320758 /nfs/dbraw/zinc/32/07/58/1075320758.db2.gz YALOBMGFJJDISO-UHFFFAOYSA-N 0 3 417.438 0.910 20 0 HCADHN CS(=O)(=O)Cc1noc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000462274197 1075320729 /nfs/dbraw/zinc/32/07/29/1075320729.db2.gz DFSULJOFCGPIFJ-CABCVRRESA-N 0 3 423.495 0.041 20 0 HCADHN CS(=O)(=O)Cc1noc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000462274208 1075319995 /nfs/dbraw/zinc/31/99/95/1075319995.db2.gz DFSULJOFCGPIFJ-GJZGRUSLSA-N 0 3 423.495 0.041 20 0 HCADHN CS(=O)(=O)Cc1noc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000462274211 1075320305 /nfs/dbraw/zinc/32/03/05/1075320305.db2.gz DFSULJOFCGPIFJ-HUUCEWRRSA-N 0 3 423.495 0.041 20 0 HCADHN CS(=O)(=O)Cc1noc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000462274213 1075320438 /nfs/dbraw/zinc/32/04/38/1075320438.db2.gz DFSULJOFCGPIFJ-LSDHHAIUSA-N 0 3 423.495 0.041 20 0 HCADHN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000462276747 1075324124 /nfs/dbraw/zinc/32/41/24/1075324124.db2.gz YKOUSHKXVDPJOQ-UHFFFAOYSA-N 0 3 408.524 0.598 20 0 HCADHN C[C@@H]1CN(CC2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)C[C@H](C)O1 ZINC000462285132 1075330174 /nfs/dbraw/zinc/33/01/74/1075330174.db2.gz ZSRULAKWOFSLSF-BETUJISGSA-N 0 3 415.516 0.389 20 0 HCADHN C[C@@H]1CN(CC2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)C[C@@H](C)O1 ZINC000462285133 1075330281 /nfs/dbraw/zinc/33/02/81/1075330281.db2.gz ZSRULAKWOFSLSF-CHWSQXEVSA-N 0 3 415.516 0.389 20 0 HCADHN C[C@H]1CN(CC2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)C[C@H](C)O1 ZINC000462285134 1075330273 /nfs/dbraw/zinc/33/02/73/1075330273.db2.gz ZSRULAKWOFSLSF-STQMWFEESA-N 0 3 415.516 0.389 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000462285428 1075330250 /nfs/dbraw/zinc/33/02/50/1075330250.db2.gz AUDSIQIIYUEGKW-UHFFFAOYSA-N 0 3 421.527 0.052 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000462285913 1075330620 /nfs/dbraw/zinc/33/06/20/1075330620.db2.gz CXOAGIKLDPVGBR-UHFFFAOYSA-N 0 3 420.539 0.750 20 0 HCADHN Cn1nnnc1-c1cccc(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)c1 ZINC000462287417 1075331029 /nfs/dbraw/zinc/33/10/29/1075331029.db2.gz JQSLTRPNGRFKOO-UHFFFAOYSA-N 0 3 406.512 0.800 20 0 HCADHN CS(=O)(=O)Cc1noc(NC(=O)NCC2(N3CCSCC3)CCCCC2)n1 ZINC000462287465 1075330925 /nfs/dbraw/zinc/33/09/25/1075330925.db2.gz GWJHHYHIPNOHGJ-UHFFFAOYSA-N 0 3 417.557 0.909 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2C(=O)OC)CC1 ZINC000462287821 1075331740 /nfs/dbraw/zinc/33/17/40/1075331740.db2.gz KWJZISWFRHAKQL-UHFFFAOYSA-N 0 3 411.524 0.789 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)CC1 ZINC000462288598 1075331341 /nfs/dbraw/zinc/33/13/41/1075331341.db2.gz NUVISKPIWGQPCZ-UHFFFAOYSA-N 0 3 410.540 0.844 20 0 HCADHN CS(=O)(=O)Cc1noc(NC(=O)NCC2(N3CCSCC3)CCCC2)n1 ZINC000462289092 1075332205 /nfs/dbraw/zinc/33/22/05/1075332205.db2.gz XHPAEBLMJQURFM-UHFFFAOYSA-N 0 3 403.530 0.519 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2csc(C(=O)OC)c2)CC1 ZINC000462289179 1075332069 /nfs/dbraw/zinc/33/20/69/1075332069.db2.gz XVOFLBINKYRQLT-UHFFFAOYSA-N 0 3 403.526 0.709 20 0 HCADHN Cc1c(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cnn1-c1ccccn1 ZINC000462291145 1075332626 /nfs/dbraw/zinc/33/26/26/1075332626.db2.gz CCWINBCJGBXIDY-UHFFFAOYSA-N 0 3 418.523 0.504 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)CC1 ZINC000462292925 1075334161 /nfs/dbraw/zinc/33/41/61/1075334161.db2.gz YFKMZFLLDNVCFO-UHFFFAOYSA-N 0 3 411.524 0.956 20 0 HCADHN COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC000462298902 1075337089 /nfs/dbraw/zinc/33/70/89/1075337089.db2.gz RGWGAXAGLPDFEN-UHFFFAOYSA-N 0 3 401.510 0.463 20 0 HCADHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000462312920 1075346187 /nfs/dbraw/zinc/34/61/87/1075346187.db2.gz BQKONSLUTMZICE-QUJCMNEKSA-N 0 3 424.523 0.853 20 0 HCADHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462312921 1075346135 /nfs/dbraw/zinc/34/61/35/1075346135.db2.gz BQKONSLUTMZICE-VLXJIEOASA-N 0 3 424.523 0.853 20 0 HCADHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000462312922 1075346110 /nfs/dbraw/zinc/34/61/10/1075346110.db2.gz BQKONSLUTMZICE-VPZZIHKRSA-N 0 3 424.523 0.853 20 0 HCADHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462312923 1075346150 /nfs/dbraw/zinc/34/61/50/1075346150.db2.gz BQKONSLUTMZICE-XEKQOVJPSA-N 0 3 424.523 0.853 20 0 HCADHN CCOC(=O)Cc1csc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000462324248 1075353687 /nfs/dbraw/zinc/35/36/87/1075353687.db2.gz FKUVEQNIHMCCPQ-HNNXBMFYSA-N 0 3 423.539 0.426 20 0 HCADHN CCOC(=O)Cc1csc(NC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000462324249 1075353568 /nfs/dbraw/zinc/35/35/68/1075353568.db2.gz FKUVEQNIHMCCPQ-OAHLLOKOSA-N 0 3 423.539 0.426 20 0 HCADHN COC(=O)Cc1csc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000462325181 1075354020 /nfs/dbraw/zinc/35/40/20/1075354020.db2.gz HGKUBWCFSMJMLF-AWEZNQCLSA-N 0 3 409.512 0.036 20 0 HCADHN COC(=O)Cc1csc(NC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000462325182 1075353979 /nfs/dbraw/zinc/35/39/79/1075353979.db2.gz HGKUBWCFSMJMLF-CQSZACIVSA-N 0 3 409.512 0.036 20 0 HCADHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000462359635 1075367230 /nfs/dbraw/zinc/36/72/30/1075367230.db2.gz OOBNUVUZPZZOQC-HGQUKEQDSA-N 0 3 424.523 0.711 20 0 HCADHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462359636 1075367268 /nfs/dbraw/zinc/36/72/68/1075367268.db2.gz OOBNUVUZPZZOQC-IOHHAYIISA-N 0 3 424.523 0.711 20 0 HCADHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462359638 1075367242 /nfs/dbraw/zinc/36/72/42/1075367242.db2.gz OOBNUVUZPZZOQC-KPAZRMRSSA-N 0 3 424.523 0.711 20 0 HCADHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000462359639 1075367327 /nfs/dbraw/zinc/36/73/27/1075367327.db2.gz OOBNUVUZPZZOQC-PEELUZDISA-N 0 3 424.523 0.711 20 0 HCADHN CN1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)CC1(C)C ZINC000462423927 1075391082 /nfs/dbraw/zinc/39/10/82/1075391082.db2.gz ZGQSCWJHKYOUJI-SFHVURJKSA-N 0 3 408.568 0.982 20 0 HCADHN COC(=O)Cn1cc(S(=O)(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000462432038 1075388558 /nfs/dbraw/zinc/38/85/58/1075388558.db2.gz YFCGDNKAHUEXAJ-UHFFFAOYSA-N 0 3 421.523 0.282 20 0 HCADHN COc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000462434920 1075398204 /nfs/dbraw/zinc/39/82/04/1075398204.db2.gz CXZTUAKNVPVXNO-BLVKFPJESA-N 0 3 422.507 0.512 20 0 HCADHN COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000462434921 1075398009 /nfs/dbraw/zinc/39/80/09/1075398009.db2.gz CXZTUAKNVPVXNO-BUXKBTBVSA-N 0 3 422.507 0.512 20 0 HCADHN COc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462434922 1075398080 /nfs/dbraw/zinc/39/80/80/1075398080.db2.gz CXZTUAKNVPVXNO-CWTRNNRKSA-N 0 3 422.507 0.512 20 0 HCADHN COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000462434923 1075398248 /nfs/dbraw/zinc/39/82/48/1075398248.db2.gz CXZTUAKNVPVXNO-HXPMCKFVSA-N 0 3 422.507 0.512 20 0 HCADHN CN(CCS(=O)(=O)NC[C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000462436649 1075393049 /nfs/dbraw/zinc/39/30/49/1075393049.db2.gz LDMULKVIIVNVCK-AWEZNQCLSA-N 0 3 419.544 0.850 20 0 HCADHN CN(CCS(=O)(=O)NC[C@H]1CCN(C2CC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000462436650 1075393005 /nfs/dbraw/zinc/39/30/05/1075393005.db2.gz LDMULKVIIVNVCK-CQSZACIVSA-N 0 3 419.544 0.850 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000462482578 1075414379 /nfs/dbraw/zinc/41/43/79/1075414379.db2.gz ASSUCPSRGPGGFC-HNNXBMFYSA-N 0 3 407.544 0.429 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000462482579 1075414450 /nfs/dbraw/zinc/41/44/50/1075414450.db2.gz ASSUCPSRGPGGFC-OAHLLOKOSA-N 0 3 407.544 0.429 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000462487375 1075416087 /nfs/dbraw/zinc/41/60/87/1075416087.db2.gz FJHLLDQRKLPATE-CYBMUJFWSA-N 0 3 409.512 0.593 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000462487376 1075416132 /nfs/dbraw/zinc/41/61/32/1075416132.db2.gz FJHLLDQRKLPATE-ZDUSSCGKSA-N 0 3 409.512 0.593 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000462488167 1075417028 /nfs/dbraw/zinc/41/70/28/1075417028.db2.gz BDAFFCYUYVUYQW-INIZCTEOSA-N 0 3 413.540 0.790 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000462488169 1075417140 /nfs/dbraw/zinc/41/71/40/1075417140.db2.gz BDAFFCYUYVUYQW-MRXNPFEDSA-N 0 3 413.540 0.790 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000462488823 1075415952 /nfs/dbraw/zinc/41/59/52/1075415952.db2.gz JEIVXNNGNLGHRV-INIZCTEOSA-N 0 3 411.572 0.803 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000462488824 1075415932 /nfs/dbraw/zinc/41/59/32/1075415932.db2.gz JEIVXNNGNLGHRV-MRXNPFEDSA-N 0 3 411.572 0.803 20 0 HCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000462490219 1075417673 /nfs/dbraw/zinc/41/76/73/1075417673.db2.gz AVAFMQXBHIIXKQ-HKUYNNGSSA-N 0 3 408.568 0.982 20 0 HCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000462490220 1075417627 /nfs/dbraw/zinc/41/76/27/1075417627.db2.gz AVAFMQXBHIIXKQ-MJGOQNOKSA-N 0 3 408.568 0.982 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000462491320 1075418092 /nfs/dbraw/zinc/41/80/92/1075418092.db2.gz NQJWCAXYJQZGDE-INIZCTEOSA-N 0 3 417.597 0.783 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000462491321 1075418250 /nfs/dbraw/zinc/41/82/50/1075418250.db2.gz NQJWCAXYJQZGDE-MRXNPFEDSA-N 0 3 417.597 0.783 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000462493963 1075418611 /nfs/dbraw/zinc/41/86/11/1075418611.db2.gz ZBRONKJSLBBCJC-AWEZNQCLSA-N 0 3 408.524 0.464 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000462493964 1075418601 /nfs/dbraw/zinc/41/86/01/1075418601.db2.gz ZBRONKJSLBBCJC-CQSZACIVSA-N 0 3 408.524 0.464 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000462497112 1075419621 /nfs/dbraw/zinc/41/96/21/1075419621.db2.gz VTCXSXQCRIPRFR-HNNXBMFYSA-N 0 3 418.585 0.147 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000462497113 1075419666 /nfs/dbraw/zinc/41/96/66/1075419666.db2.gz VTCXSXQCRIPRFR-OAHLLOKOSA-N 0 3 418.585 0.147 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000462497584 1075419129 /nfs/dbraw/zinc/41/91/29/1075419129.db2.gz YSQGNNGGHJYDGO-HNNXBMFYSA-N 0 3 409.556 0.429 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000462497585 1075419178 /nfs/dbraw/zinc/41/91/78/1075419178.db2.gz YSQGNNGGHJYDGO-OAHLLOKOSA-N 0 3 409.556 0.429 20 0 HCADHN CN1CC[C@](O)(CNC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000462532539 1075431037 /nfs/dbraw/zinc/43/10/37/1075431037.db2.gz YJSOYKGNRJSVAM-FQEVSTJZSA-N 0 3 415.494 0.921 20 0 HCADHN CN1CC[C@@](O)(CNC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000462532555 1075431063 /nfs/dbraw/zinc/43/10/63/1075431063.db2.gz YJSOYKGNRJSVAM-HXUWFJFHSA-N 0 3 415.494 0.921 20 0 HCADHN CN1CCN(c2ncc(CNCc3cnc(N4CCOCC4)c(F)c3)cn2)CC1 ZINC000462542532 1075433934 /nfs/dbraw/zinc/43/39/34/1075433934.db2.gz NABXKCDMOBVCKN-UHFFFAOYSA-N 0 3 401.490 0.889 20 0 HCADHN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3CCN(CC4CCCC4)C3)cnc21 ZINC000462583246 1075444506 /nfs/dbraw/zinc/44/45/06/1075444506.db2.gz WWWYVJFAHWRVRC-CYBMUJFWSA-N 0 3 407.496 0.577 20 0 HCADHN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3CCN(CC4CCCC4)C3)cnc21 ZINC000462583247 1075444592 /nfs/dbraw/zinc/44/45/92/1075444592.db2.gz WWWYVJFAHWRVRC-ZDUSSCGKSA-N 0 3 407.496 0.577 20 0 HCADHN CN1CCN(c2ncc(CN[C@@H](Cc3ccccc3)C(=O)N3CCOCC3)cn2)CC1 ZINC000462649977 1075471784 /nfs/dbraw/zinc/47/17/84/1075471784.db2.gz YYHABOLSYOWVQR-NRFANRHFSA-N 0 3 424.549 0.788 20 0 HCADHN CN1CCN(c2ncc(CN[C@H](Cc3ccccc3)C(=O)N3CCOCC3)cn2)CC1 ZINC000462649978 1075471943 /nfs/dbraw/zinc/47/19/43/1075471943.db2.gz YYHABOLSYOWVQR-OAQYLSRUSA-N 0 3 424.549 0.788 20 0 HCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)C1 ZINC000462653729 1075473976 /nfs/dbraw/zinc/47/39/76/1075473976.db2.gz GAFIZUCKQDZNJF-HNNXBMFYSA-N 0 3 420.535 0.388 20 0 HCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)C1 ZINC000462653732 1075474004 /nfs/dbraw/zinc/47/40/04/1075474004.db2.gz GAFIZUCKQDZNJF-OAHLLOKOSA-N 0 3 420.535 0.388 20 0 HCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462668616 1075481085 /nfs/dbraw/zinc/48/10/85/1075481085.db2.gz NFCFUDNJCTWXRM-KRWDZBQOSA-N 0 3 407.536 0.893 20 0 HCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462668617 1075481013 /nfs/dbraw/zinc/48/10/13/1075481013.db2.gz NFCFUDNJCTWXRM-QGZVFWFLSA-N 0 3 407.536 0.893 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2scnc2C(=O)OC)CC1 ZINC000462668665 1075481145 /nfs/dbraw/zinc/48/11/45/1075481145.db2.gz ZERYZEMDNKDYRH-UHFFFAOYSA-N 0 3 404.514 0.104 20 0 HCADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000462676725 1075483200 /nfs/dbraw/zinc/48/32/00/1075483200.db2.gz KZBFKRQGHOHDRP-BFUOFWGJSA-N 0 3 424.523 0.855 20 0 HCADHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000462676729 1075482590 /nfs/dbraw/zinc/48/25/90/1075482590.db2.gz KZBFKRQGHOHDRP-DJJJIMSYSA-N 0 3 424.523 0.855 20 0 HCADHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000462676731 1075482527 /nfs/dbraw/zinc/48/25/27/1075482527.db2.gz KZBFKRQGHOHDRP-ORAYPTAESA-N 0 3 424.523 0.855 20 0 HCADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000462676733 1075482627 /nfs/dbraw/zinc/48/26/27/1075482627.db2.gz KZBFKRQGHOHDRP-YJYMSZOUSA-N 0 3 424.523 0.855 20 0 HCADHN CN1CCN(Cc2ccc(CNC(=O)Nc3nc(CS(C)(=O)=O)no3)cc2)CC1 ZINC000462720491 1075502278 /nfs/dbraw/zinc/50/22/78/1075502278.db2.gz IFUILHLVCBYIIX-UHFFFAOYSA-N 0 3 422.511 0.105 20 0 HCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462723298 1075503267 /nfs/dbraw/zinc/50/32/67/1075503267.db2.gz ACJMTPHIVMZVLU-UHFFFAOYSA-N 0 3 417.438 0.910 20 0 HCADHN C[C@H]1CN(CCC2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000462729655 1075503486 /nfs/dbraw/zinc/50/34/86/1075503486.db2.gz BRDDPECXQIIUSC-HOTGVXAUSA-N 0 3 404.577 0.799 20 0 HCADHN C[C@@H]1CN(CCC2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000462729656 1075503538 /nfs/dbraw/zinc/50/35/38/1075503538.db2.gz BRDDPECXQIIUSC-HZPDHXFCSA-N 0 3 404.577 0.799 20 0 HCADHN C[C@@H]1CN(CCC2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000462729657 1075503601 /nfs/dbraw/zinc/50/36/01/1075503601.db2.gz BRDDPECXQIIUSC-IYBDPMFKSA-N 0 3 404.577 0.799 20 0 HCADHN CCN1CCC[C@@H](CN(C)C(=O)NCCS(=O)(=O)N(C)C)[C@@H]1c1cnn(C)c1 ZINC000462734094 1075504397 /nfs/dbraw/zinc/50/43/97/1075504397.db2.gz APTBUTLLFXVKCO-DOTOQJQBSA-N 0 3 414.576 0.726 20 0 HCADHN CN(CCN1CCN(C(=O)NCCS(=O)(=O)N(C)C)CC1)Cc1ccccc1 ZINC000462744056 1075508905 /nfs/dbraw/zinc/50/89/05/1075508905.db2.gz XSEMDXBJCRIETD-UHFFFAOYSA-N 0 3 411.572 0.337 20 0 HCADHN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)CN(C)[C@H]2CCSC2)c1 ZINC000462752735 1075507126 /nfs/dbraw/zinc/50/71/26/1075507126.db2.gz BTQHCZZVWPWPEZ-HNNXBMFYSA-N 0 3 400.570 0.902 20 0 HCADHN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)CN(C)[C@@H]2CCSC2)c1 ZINC000462752740 1075507009 /nfs/dbraw/zinc/50/70/09/1075507009.db2.gz BTQHCZZVWPWPEZ-OAHLLOKOSA-N 0 3 400.570 0.902 20 0 HCADHN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)CCCCN2CCOCC2)c1 ZINC000462763149 1075512919 /nfs/dbraw/zinc/51/29/19/1075512919.db2.gz NZBWGEIGQYYGSD-UHFFFAOYSA-N 0 3 412.556 0.968 20 0 HCADHN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)c2cnc3c(cnn3C)c2O)c1 ZINC000462766799 1075513906 /nfs/dbraw/zinc/51/39/06/1075513906.db2.gz WMTOKSSGJFBQGQ-UHFFFAOYSA-N 0 3 418.479 0.766 20 0 HCADHN COC(=O)c1cc(CNCCC(=O)N2CCN(c3ncccn3)CC2)n(C)c1C ZINC000462784856 1075519079 /nfs/dbraw/zinc/51/90/79/1075519079.db2.gz HTOKLYWYNOPYFM-UHFFFAOYSA-N 0 3 400.483 0.739 20 0 HCADHN COC(=O)C1CCN(CCCNc2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000462791665 1075522414 /nfs/dbraw/zinc/52/24/14/1075522414.db2.gz ZJIMIZICOCVOEK-UHFFFAOYSA-N 0 3 410.540 1.457 20 0 HCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462800396 1075525159 /nfs/dbraw/zinc/52/51/59/1075525159.db2.gz BWZXTDIYYMBXFG-MPGHIAIKSA-N 0 3 405.524 0.724 20 0 HCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462800397 1075525267 /nfs/dbraw/zinc/52/52/67/1075525267.db2.gz BWZXTDIYYMBXFG-RLFYNMQTSA-N 0 3 405.524 0.724 20 0 HCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462800398 1075525221 /nfs/dbraw/zinc/52/52/21/1075525221.db2.gz BWZXTDIYYMBXFG-RVKKMQEKSA-N 0 3 405.524 0.724 20 0 HCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462800399 1075525339 /nfs/dbraw/zinc/52/53/39/1075525339.db2.gz BWZXTDIYYMBXFG-VKJFTORMSA-N 0 3 405.524 0.724 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462800665 1075525291 /nfs/dbraw/zinc/52/52/91/1075525291.db2.gz DHUBATDFZRNRAB-CXAGYDPISA-N 0 3 419.507 0.029 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462800670 1075525172 /nfs/dbraw/zinc/52/51/72/1075525172.db2.gz DHUBATDFZRNRAB-DYVFJYSZSA-N 0 3 419.507 0.029 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462800672 1075525371 /nfs/dbraw/zinc/52/53/71/1075525371.db2.gz DHUBATDFZRNRAB-GUYCJALGSA-N 0 3 419.507 0.029 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462800674 1075525192 /nfs/dbraw/zinc/52/51/92/1075525192.db2.gz DHUBATDFZRNRAB-SUMWQHHRSA-N 0 3 419.507 0.029 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000462804536 1075526171 /nfs/dbraw/zinc/52/61/71/1075526171.db2.gz LNMBHKUMXFIWGN-BVBHFADKSA-N 0 3 419.547 0.659 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000462804537 1075526207 /nfs/dbraw/zinc/52/62/07/1075526207.db2.gz LNMBHKUMXFIWGN-LULLPPNCSA-N 0 3 419.547 0.659 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000462804538 1075526034 /nfs/dbraw/zinc/52/60/34/1075526034.db2.gz LNMBHKUMXFIWGN-OWYHZJEWSA-N 0 3 419.547 0.659 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000462804539 1075526195 /nfs/dbraw/zinc/52/61/95/1075526195.db2.gz LNMBHKUMXFIWGN-YSHGAJCASA-N 0 3 419.547 0.659 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000462808057 1075526495 /nfs/dbraw/zinc/52/64/95/1075526495.db2.gz GMBLKXJUQVMWFX-GIVPXCGWSA-N 0 3 414.550 0.804 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000462808058 1075526582 /nfs/dbraw/zinc/52/65/82/1075526582.db2.gz GMBLKXJUQVMWFX-HLAWJBBLSA-N 0 3 414.550 0.804 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000462808059 1075526420 /nfs/dbraw/zinc/52/64/20/1075526420.db2.gz GMBLKXJUQVMWFX-HMXCVIKNSA-N 0 3 414.550 0.804 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000462808060 1075526625 /nfs/dbraw/zinc/52/66/25/1075526625.db2.gz GMBLKXJUQVMWFX-NRSPTQNISA-N 0 3 414.550 0.804 20 0 HCADHN CCN(CC)CC(=O)N1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000462814493 1075527930 /nfs/dbraw/zinc/52/79/30/1075527930.db2.gz FRRHAWOQVUEHKK-UHFFFAOYSA-N 0 3 409.556 0.760 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1=O ZINC000462818573 1075528678 /nfs/dbraw/zinc/52/86/78/1075528678.db2.gz RJRTWGXGOVYYPE-INIZCTEOSA-N 0 3 408.524 0.253 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1=O ZINC000462818574 1075528608 /nfs/dbraw/zinc/52/86/08/1075528608.db2.gz RJRTWGXGOVYYPE-MRXNPFEDSA-N 0 3 408.524 0.253 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000462819531 1075528648 /nfs/dbraw/zinc/52/86/48/1075528648.db2.gz UGEZFPGOQALDLZ-DZGCQCFKSA-N 0 3 410.478 0.932 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000462819532 1075528565 /nfs/dbraw/zinc/52/85/65/1075528565.db2.gz UGEZFPGOQALDLZ-HIFRSBDPSA-N 0 3 410.478 0.932 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000462819533 1075528771 /nfs/dbraw/zinc/52/87/71/1075528771.db2.gz UGEZFPGOQALDLZ-UKRRQHHQSA-N 0 3 410.478 0.932 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000462819534 1075528741 /nfs/dbraw/zinc/52/87/41/1075528741.db2.gz UGEZFPGOQALDLZ-ZFWWWQNUSA-N 0 3 410.478 0.932 20 0 HCADHN O=C(CN1CCCC1)N1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000462821472 1075529060 /nfs/dbraw/zinc/52/90/60/1075529060.db2.gz QXGAPHCJDQFAMV-UHFFFAOYSA-N 0 3 407.540 0.514 20 0 HCADHN COC(=O)CCCN1CCC(N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000462899830 1075551747 /nfs/dbraw/zinc/55/17/47/1075551747.db2.gz DYCQGHGGPRZEEI-CYBMUJFWSA-N 0 3 403.467 0.816 20 0 HCADHN COC(=O)CCCN1CCC(N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000462899831 1075551675 /nfs/dbraw/zinc/55/16/75/1075551675.db2.gz DYCQGHGGPRZEEI-ZDUSSCGKSA-N 0 3 403.467 0.816 20 0 HCADHN COC(=O)CCCN1CCC([NH2+]CC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)CC1 ZINC000462901789 1075552077 /nfs/dbraw/zinc/55/20/77/1075552077.db2.gz FOARJYVPQZPUIP-UHFFFAOYSA-N 0 3 420.557 0.443 20 0 HCADHN Cc1cc(NC(=O)C(=O)N2CC(=O)N(C)C2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000462921708 1075559405 /nfs/dbraw/zinc/55/94/05/1075559405.db2.gz ITLFGYLJFYYQEL-KRWDZBQOSA-N 0 3 410.478 0.835 20 0 HCADHN Cc1cc(NC(=O)C(=O)N2CC(=O)N(C)C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000462921709 1075559259 /nfs/dbraw/zinc/55/92/59/1075559259.db2.gz ITLFGYLJFYYQEL-QGZVFWFLSA-N 0 3 410.478 0.835 20 0 HCADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)N1CC(=O)N(C)C1 ZINC000462929686 1075558178 /nfs/dbraw/zinc/55/81/78/1075558178.db2.gz NXZFDPLKVUPBQY-KRWDZBQOSA-N 0 3 410.478 0.835 20 0 HCADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)N1CC(=O)N(C)C1 ZINC000462929687 1075558262 /nfs/dbraw/zinc/55/82/62/1075558262.db2.gz NXZFDPLKVUPBQY-QGZVFWFLSA-N 0 3 410.478 0.835 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)cc1)[C@H]1CCCN(C)C1 ZINC000462933350 1075558481 /nfs/dbraw/zinc/55/84/81/1075558481.db2.gz QWVRQEQRIHBZBR-INIZCTEOSA-N 0 3 401.467 0.049 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)cc1)[C@@H]1CCCN(C)C1 ZINC000462933351 1075558666 /nfs/dbraw/zinc/55/86/66/1075558666.db2.gz QWVRQEQRIHBZBR-MRXNPFEDSA-N 0 3 401.467 0.049 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000463007543 1075578059 /nfs/dbraw/zinc/57/80/59/1075578059.db2.gz FTCHLJJRYCOKHF-BPQIPLTHSA-N 0 3 422.551 0.500 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000463007545 1075577957 /nfs/dbraw/zinc/57/79/57/1075577957.db2.gz FTCHLJJRYCOKHF-KBAYOESNSA-N 0 3 422.551 0.500 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000463007546 1075577867 /nfs/dbraw/zinc/57/78/67/1075577867.db2.gz FTCHLJJRYCOKHF-NJAFHUGGSA-N 0 3 422.551 0.500 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000463007547 1075577980 /nfs/dbraw/zinc/57/79/80/1075577980.db2.gz FTCHLJJRYCOKHF-NXHRZFHOSA-N 0 3 422.551 0.500 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010434 1075578189 /nfs/dbraw/zinc/57/81/89/1075578189.db2.gz LFSLNFLTKJSAPK-APWZRJJASA-N 0 3 413.522 0.639 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010435 1075578372 /nfs/dbraw/zinc/57/83/72/1075578372.db2.gz LFSLNFLTKJSAPK-LPHOPBHVSA-N 0 3 413.522 0.639 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010436 1075578425 /nfs/dbraw/zinc/57/84/25/1075578425.db2.gz LFSLNFLTKJSAPK-QFBILLFUSA-N 0 3 413.522 0.639 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010437 1075578303 /nfs/dbraw/zinc/57/83/03/1075578303.db2.gz LFSLNFLTKJSAPK-VQIMIIECSA-N 0 3 413.522 0.639 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000463017168 1075579840 /nfs/dbraw/zinc/57/98/40/1075579840.db2.gz XJHXOHOTKOLGSH-HKUYNNGSSA-N 0 3 415.538 0.885 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000463017169 1075579748 /nfs/dbraw/zinc/57/97/48/1075579748.db2.gz XJHXOHOTKOLGSH-IEBWSBKVSA-N 0 3 415.538 0.885 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000463017170 1075580201 /nfs/dbraw/zinc/58/02/01/1075580201.db2.gz XJHXOHOTKOLGSH-MJGOQNOKSA-N 0 3 415.538 0.885 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000463017171 1075580366 /nfs/dbraw/zinc/58/03/66/1075580366.db2.gz XJHXOHOTKOLGSH-PKOBYXMFSA-N 0 3 415.538 0.885 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N2CCNC(=O)[C@@H]2c2c(F)cccc2Cl)CC1=O ZINC000463048020 1075583114 /nfs/dbraw/zinc/58/31/14/1075583114.db2.gz IVURSPSCAJPKEA-PXAZEXFGSA-N 0 3 410.877 0.889 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2c(F)cccc2Cl)CC1=O ZINC000463048021 1075582940 /nfs/dbraw/zinc/58/29/40/1075582940.db2.gz IVURSPSCAJPKEA-SJCJKPOMSA-N 0 3 410.877 0.889 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)CC1=O ZINC000463048022 1075582859 /nfs/dbraw/zinc/58/28/59/1075582859.db2.gz IVURSPSCAJPKEA-SJKOYZFVSA-N 0 3 410.877 0.889 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)CC1=O ZINC000463048023 1075583370 /nfs/dbraw/zinc/58/33/70/1075583370.db2.gz IVURSPSCAJPKEA-YVEFUNNKSA-N 0 3 410.877 0.889 20 0 HCADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(CCN3CCCOCC3)CC2)c1 ZINC000463073788 1075589404 /nfs/dbraw/zinc/58/94/04/1075589404.db2.gz YCRFBRZHPMQCQC-UHFFFAOYSA-N 0 3 413.540 0.732 20 0 HCADHN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(CCN2CCCOCC2)CC1 ZINC000463075014 1075589965 /nfs/dbraw/zinc/58/99/65/1075589965.db2.gz LLZPIZXBMHSCGD-UHFFFAOYSA-N 0 3 411.524 0.486 20 0 HCADHN O=c1[nH]c2ccc(S(=O)(=O)N3CCN(CCN4CCCOCC4)CC3)cc2[nH]1 ZINC000463075591 1075589933 /nfs/dbraw/zinc/58/99/33/1075589933.db2.gz AZKBLCYKFBGFPJ-UHFFFAOYSA-N 0 3 409.512 0.297 20 0 HCADHN COC(=O)c1csc(S(=O)(=O)N2CCN(CCN3CCCOCC3)CC2)c1 ZINC000463079027 1075590503 /nfs/dbraw/zinc/59/05/03/1075590503.db2.gz VVKABTXSELNKNS-UHFFFAOYSA-N 0 3 417.553 0.563 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCN2CCN(CCN3CCCOCC3)CC2)cc1 ZINC000463106788 1075599387 /nfs/dbraw/zinc/59/93/87/1075599387.db2.gz KOIZRSWGQBBEHV-UHFFFAOYSA-N 0 3 410.584 0.613 20 0 HCADHN O=C1COc2ccc(S(=O)(=O)N3CCN(CCN4CCCOCC4)CC3)cc2N1 ZINC000463107382 1075598705 /nfs/dbraw/zinc/59/87/05/1075598705.db2.gz MFMFXFSPLFJYOU-UHFFFAOYSA-N 0 3 424.523 0.046 20 0 HCADHN CCN1CCN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463116326 1075614111 /nfs/dbraw/zinc/61/41/11/1075614111.db2.gz CFAABJRTFGIOQK-FQEVSTJZSA-N 0 3 402.539 0.600 20 0 HCADHN CCN1CCN(CCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463116327 1075614046 /nfs/dbraw/zinc/61/40/46/1075614046.db2.gz CFAABJRTFGIOQK-HXUWFJFHSA-N 0 3 402.539 0.600 20 0 HCADHN Cc1cc(N2CCC[C@H](N3CCN(CCN4CCCOCC4)CC3)C2=O)n(C)n1 ZINC000463153305 1075631395 /nfs/dbraw/zinc/63/13/95/1075631395.db2.gz MKYLKBVBAXXDHX-IBGZPJMESA-N 0 3 404.559 0.564 20 0 HCADHN Cc1cc(N2CCC[C@@H](N3CCN(CCN4CCCOCC4)CC3)C2=O)n(C)n1 ZINC000463153306 1075631333 /nfs/dbraw/zinc/63/13/33/1075631333.db2.gz MKYLKBVBAXXDHX-LJQANCHMSA-N 0 3 404.559 0.564 20 0 HCADHN CNS(=O)(=O)NC1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000463197321 1075641233 /nfs/dbraw/zinc/64/12/33/1075641233.db2.gz QAQPSWXMKMFWNM-UHFFFAOYSA-N 0 3 423.539 0.660 20 0 HCADHN COCCN1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463200699 1075655755 /nfs/dbraw/zinc/65/57/55/1075655755.db2.gz JVQBSFXPWKELJU-FQEVSTJZSA-N 0 3 418.538 0.867 20 0 HCADHN COCCN1CCC(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463200701 1075655680 /nfs/dbraw/zinc/65/56/80/1075655680.db2.gz JVQBSFXPWKELJU-HXUWFJFHSA-N 0 3 418.538 0.867 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463205784 1075648252 /nfs/dbraw/zinc/64/82/52/1075648252.db2.gz QFDVNUGGGRYRNV-PMACEKPBSA-N 0 3 418.538 0.867 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463205785 1075648217 /nfs/dbraw/zinc/64/82/17/1075648217.db2.gz QFDVNUGGGRYRNV-UXHICEINSA-N 0 3 418.538 0.867 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463205786 1075648186 /nfs/dbraw/zinc/64/81/86/1075648186.db2.gz QFDVNUGGGRYRNV-VQTJNVASSA-N 0 3 418.538 0.867 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463205787 1075648574 /nfs/dbraw/zinc/64/85/74/1075648574.db2.gz QFDVNUGGGRYRNV-WOJBJXKFSA-N 0 3 418.538 0.867 20 0 HCADHN CNS(=O)(=O)NC1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000463211062 1075651107 /nfs/dbraw/zinc/65/11/07/1075651107.db2.gz DFOUNUCZDNZBQT-APWZRJJASA-N 0 3 423.583 0.284 20 0 HCADHN CNS(=O)(=O)NC1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000463211063 1075651296 /nfs/dbraw/zinc/65/12/96/1075651296.db2.gz DFOUNUCZDNZBQT-LPHOPBHVSA-N 0 3 423.583 0.284 20 0 HCADHN CNS(=O)(=O)NC1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000463211064 1075651260 /nfs/dbraw/zinc/65/12/60/1075651260.db2.gz DFOUNUCZDNZBQT-QFBILLFUSA-N 0 3 423.583 0.284 20 0 HCADHN CNS(=O)(=O)NC1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000463211065 1075651202 /nfs/dbraw/zinc/65/12/02/1075651202.db2.gz DFOUNUCZDNZBQT-VQIMIIECSA-N 0 3 423.583 0.284 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000463212614 1075651141 /nfs/dbraw/zinc/65/11/41/1075651141.db2.gz MGBLGMSNJWWZHQ-UHFFFAOYSA-N 0 3 421.517 0.574 20 0 HCADHN CNS(=O)(=O)NC1CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000463213073 1075651738 /nfs/dbraw/zinc/65/17/38/1075651738.db2.gz WNEANNPSWAWHOJ-UHFFFAOYSA-N 0 3 417.919 0.286 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCN(c2ccccc2)C(=O)C1 ZINC000463213431 1075652204 /nfs/dbraw/zinc/65/22/04/1075652204.db2.gz PEESKIQHVLTVOZ-UHFFFAOYSA-N 0 3 403.527 0.435 20 0 HCADHN CC1(C)[C@@H](O)CCN1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000463219133 1075664301 /nfs/dbraw/zinc/66/43/01/1075664301.db2.gz OQNRQOMGJHVRQQ-MSOLQXFVSA-N 0 3 403.479 0.342 20 0 HCADHN CC1(C)[C@H](O)CCN1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000463219134 1075664332 /nfs/dbraw/zinc/66/43/32/1075664332.db2.gz OQNRQOMGJHVRQQ-QZTJIDSGSA-N 0 3 403.479 0.342 20 0 HCADHN CC1(C)[C@@H](O)CCN1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000463219135 1075664419 /nfs/dbraw/zinc/66/44/19/1075664419.db2.gz OQNRQOMGJHVRQQ-ROUUACIJSA-N 0 3 403.479 0.342 20 0 HCADHN CC1(C)[C@H](O)CCN1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000463219136 1075664768 /nfs/dbraw/zinc/66/47/68/1075664768.db2.gz OQNRQOMGJHVRQQ-ZWKOTPCHSA-N 0 3 403.479 0.342 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](O)C3(C)C)CC2)cc1 ZINC000463227741 1075661280 /nfs/dbraw/zinc/66/12/80/1075661280.db2.gz BQKGVEHEAUZUPZ-GOSISDBHSA-N 0 3 423.535 0.567 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](O)C3(C)C)CC2)cc1 ZINC000463227742 1075661353 /nfs/dbraw/zinc/66/13/53/1075661353.db2.gz BQKGVEHEAUZUPZ-SFHVURJKSA-N 0 3 423.535 0.567 20 0 HCADHN CC(C)N(CC(=O)N1CCN(C(=O)CN(C(C)C)[C@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000463228058 1075661236 /nfs/dbraw/zinc/66/12/36/1075661236.db2.gz DSCZWVIYTXMNBS-BGYRXZFFSA-N 0 3 424.586 0.656 20 0 HCADHN CC(C)N(CC(=O)N1CCN(C(=O)CN(C(C)C)[C@H]2CCOC2)CC1)[C@H]1CCOC1 ZINC000463228059 1075661191 /nfs/dbraw/zinc/66/11/91/1075661191.db2.gz DSCZWVIYTXMNBS-PMACEKPBSA-N 0 3 424.586 0.656 20 0 HCADHN CC(C)N(CC(=O)N1CCN(C(=O)CN(C(C)C)[C@@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000463228060 1075661257 /nfs/dbraw/zinc/66/12/57/1075661257.db2.gz DSCZWVIYTXMNBS-WOJBJXKFSA-N 0 3 424.586 0.656 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](O)C3(C)C)CC2)cc1 ZINC000463229065 1075661739 /nfs/dbraw/zinc/66/17/39/1075661739.db2.gz XIVHGDRCELXNNM-KRWDZBQOSA-N 0 3 411.524 0.373 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](O)C3(C)C)CC2)cc1 ZINC000463229066 1075661782 /nfs/dbraw/zinc/66/17/82/1075661782.db2.gz XIVHGDRCELXNNM-QGZVFWFLSA-N 0 3 411.524 0.373 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](O)C3(C)C)CC2)c1 ZINC000463231801 1075663383 /nfs/dbraw/zinc/66/33/83/1075663383.db2.gz VNPQKJCRYIUXOY-GOSISDBHSA-N 0 3 423.535 0.567 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](O)C3(C)C)CC2)c1 ZINC000463231802 1075663963 /nfs/dbraw/zinc/66/39/63/1075663963.db2.gz VNPQKJCRYIUXOY-SFHVURJKSA-N 0 3 423.535 0.567 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](O)C3(C)C)CC2)cc1C ZINC000463232173 1075663069 /nfs/dbraw/zinc/66/30/69/1075663069.db2.gz ZDLAJMVYSGLXAB-GOSISDBHSA-N 0 3 409.552 0.982 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](O)C3(C)C)CC2)cc1C ZINC000463232182 1075662965 /nfs/dbraw/zinc/66/29/65/1075662965.db2.gz ZDLAJMVYSGLXAB-SFHVURJKSA-N 0 3 409.552 0.982 20 0 HCADHN CC1(C)[C@@H](O)CCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000463234461 1075664711 /nfs/dbraw/zinc/66/47/11/1075664711.db2.gz JMDUZBURDAFZDQ-HNNXBMFYSA-N 0 3 417.478 0.643 20 0 HCADHN CC1(C)[C@H](O)CCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000463234462 1075664746 /nfs/dbraw/zinc/66/47/46/1075664746.db2.gz JMDUZBURDAFZDQ-OAHLLOKOSA-N 0 3 417.478 0.643 20 0 HCADHN COC(=O)CCCN1CCC(Nc2cnn(CC(=O)N3CCN(C)CC3)c2)CC1 ZINC000463237140 1075665270 /nfs/dbraw/zinc/66/52/70/1075665270.db2.gz KLEHOIGIAPJKGR-UHFFFAOYSA-N 0 3 406.531 0.487 20 0 HCADHN CC1(C)[C@@H](O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000463238139 1075665691 /nfs/dbraw/zinc/66/56/91/1075665691.db2.gz YYISSVMKUZIPCI-IBGZPJMESA-N 0 3 421.563 0.853 20 0 HCADHN CC1(C)[C@H](O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000463238140 1075665715 /nfs/dbraw/zinc/66/57/15/1075665715.db2.gz YYISSVMKUZIPCI-LJQANCHMSA-N 0 3 421.563 0.853 20 0 HCADHN CCOC(=O)[C@](C)(O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000463243720 1075666808 /nfs/dbraw/zinc/66/68/08/1075666808.db2.gz QNDHUZRTVABUHX-GOSISDBHSA-N 0 3 413.496 0.299 20 0 HCADHN CCOC(=O)[C@@](C)(O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000463243721 1075666914 /nfs/dbraw/zinc/66/69/14/1075666914.db2.gz QNDHUZRTVABUHX-SFHVURJKSA-N 0 3 413.496 0.299 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000463258589 1075670450 /nfs/dbraw/zinc/67/04/50/1075670450.db2.gz CEZXSPGXGMSINQ-AZUAARDMSA-N 0 3 417.554 0.597 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000463258590 1075670445 /nfs/dbraw/zinc/67/04/45/1075670445.db2.gz CEZXSPGXGMSINQ-ICSRJNTNSA-N 0 3 417.554 0.597 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000463258592 1075670360 /nfs/dbraw/zinc/67/03/60/1075670360.db2.gz CEZXSPGXGMSINQ-QUCCMNQESA-N 0 3 417.554 0.597 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000463258594 1075670439 /nfs/dbraw/zinc/67/04/39/1075670439.db2.gz CEZXSPGXGMSINQ-UYAOXDASSA-N 0 3 417.554 0.597 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000463261768 1075671389 /nfs/dbraw/zinc/67/13/89/1075671389.db2.gz JEODFXYTXOEYHM-AEFFLSMTSA-N 0 3 412.498 0.047 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000463261769 1075671253 /nfs/dbraw/zinc/67/12/53/1075671253.db2.gz JEODFXYTXOEYHM-FUHWJXTLSA-N 0 3 412.498 0.047 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000463261770 1075671302 /nfs/dbraw/zinc/67/13/02/1075671302.db2.gz JEODFXYTXOEYHM-SJLPKXTDSA-N 0 3 412.498 0.047 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000463261771 1075671364 /nfs/dbraw/zinc/67/13/64/1075671364.db2.gz JEODFXYTXOEYHM-WMZOPIPTSA-N 0 3 412.498 0.047 20 0 HCADHN C[C@@H](CNC(=O)NCc1cnc(N2CCOCC2)c(F)c1)CN1CCN(C)CC1 ZINC000463291264 1075687107 /nfs/dbraw/zinc/68/71/07/1075687107.db2.gz WMFVWHJPAXDZQC-INIZCTEOSA-N 0 3 408.522 0.740 20 0 HCADHN C[C@H](CNC(=O)NCc1cnc(N2CCOCC2)c(F)c1)CN1CCN(C)CC1 ZINC000463291270 1075687152 /nfs/dbraw/zinc/68/71/52/1075687152.db2.gz WMFVWHJPAXDZQC-MRXNPFEDSA-N 0 3 408.522 0.740 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000463305415 1075688318 /nfs/dbraw/zinc/68/83/18/1075688318.db2.gz DGENVZGKQYNTJF-AEFFLSMTSA-N 0 3 424.567 0.842 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000463305417 1075688427 /nfs/dbraw/zinc/68/84/27/1075688427.db2.gz DGENVZGKQYNTJF-FUHWJXTLSA-N 0 3 424.567 0.842 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000463305419 1075688404 /nfs/dbraw/zinc/68/84/04/1075688404.db2.gz DGENVZGKQYNTJF-SJLPKXTDSA-N 0 3 424.567 0.842 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000463305421 1075688390 /nfs/dbraw/zinc/68/83/90/1075688390.db2.gz DGENVZGKQYNTJF-WMZOPIPTSA-N 0 3 424.567 0.842 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000463305463 1075688768 /nfs/dbraw/zinc/68/87/68/1075688768.db2.gz KMOHDORNSJFODL-UHFFFAOYSA-N 0 3 408.522 0.836 20 0 HCADHN COCCN1CC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000463308669 1075689703 /nfs/dbraw/zinc/68/97/03/1075689703.db2.gz RGWKLXZRVBUQOU-MOPGFXCFSA-N 0 3 404.511 0.476 20 0 HCADHN COCCN1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000463308670 1075689714 /nfs/dbraw/zinc/68/97/14/1075689714.db2.gz RGWKLXZRVBUQOU-OALUTQOASA-N 0 3 404.511 0.476 20 0 HCADHN COCCN1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000463308671 1075690137 /nfs/dbraw/zinc/69/01/37/1075690137.db2.gz RGWKLXZRVBUQOU-RBUKOAKNSA-N 0 3 404.511 0.476 20 0 HCADHN COCCN1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000463308672 1075690124 /nfs/dbraw/zinc/69/01/24/1075690124.db2.gz RGWKLXZRVBUQOU-RTBURBONSA-N 0 3 404.511 0.476 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCCN(C)Cc1ccccc1 ZINC000463334258 1075698091 /nfs/dbraw/zinc/69/80/91/1075698091.db2.gz ILBIZOOKXKARGN-KRWDZBQOSA-N 0 3 410.540 0.453 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCN(C)Cc1ccccc1 ZINC000463334259 1075698155 /nfs/dbraw/zinc/69/81/55/1075698155.db2.gz ILBIZOOKXKARGN-QGZVFWFLSA-N 0 3 410.540 0.453 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000463340992 1075700622 /nfs/dbraw/zinc/70/06/22/1075700622.db2.gz RSEFLQGMGNJPAT-MSOLQXFVSA-N 0 3 424.567 0.933 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000463340993 1075700725 /nfs/dbraw/zinc/70/07/25/1075700725.db2.gz RSEFLQGMGNJPAT-QZTJIDSGSA-N 0 3 424.567 0.933 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000463340994 1075700706 /nfs/dbraw/zinc/70/07/06/1075700706.db2.gz RSEFLQGMGNJPAT-ROUUACIJSA-N 0 3 424.567 0.933 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000463340995 1075700635 /nfs/dbraw/zinc/70/06/35/1075700635.db2.gz RSEFLQGMGNJPAT-ZWKOTPCHSA-N 0 3 424.567 0.933 20 0 HCADHN CN1CCN(Cc2ccc(CNS(=O)(=O)CCCN3CCOCC3)cc2)CC1 ZINC000463341566 1075700378 /nfs/dbraw/zinc/70/03/78/1075700378.db2.gz XHJRAGVDEWLQNS-UHFFFAOYSA-N 0 3 410.584 0.576 20 0 HCADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)CCCN3CCOCC3)cc2)CC1 ZINC000463347048 1075702201 /nfs/dbraw/zinc/70/22/01/1075702201.db2.gz XIUXTNFXFSYSBF-UHFFFAOYSA-N 0 3 424.611 0.966 20 0 HCADHN O=C(NCCN1CCCCC1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000463349037 1075703371 /nfs/dbraw/zinc/70/33/71/1075703371.db2.gz KRAOGMSWRVFBTK-UHFFFAOYSA-N 0 3 424.523 0.616 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000463388121 1075718978 /nfs/dbraw/zinc/71/89/78/1075718978.db2.gz DFDCYYAJCAUKKO-GDBMZVCRSA-N 0 3 400.545 0.338 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000463388122 1075718934 /nfs/dbraw/zinc/71/89/34/1075718934.db2.gz DFDCYYAJCAUKKO-GOEBONIOSA-N 0 3 400.545 0.338 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000463388123 1075719038 /nfs/dbraw/zinc/71/90/38/1075719038.db2.gz DFDCYYAJCAUKKO-HOCLYGCPSA-N 0 3 400.545 0.338 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000463388124 1075719092 /nfs/dbraw/zinc/71/90/92/1075719092.db2.gz DFDCYYAJCAUKKO-ZBFHGGJFSA-N 0 3 400.545 0.338 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000463401192 1075726165 /nfs/dbraw/zinc/72/61/65/1075726165.db2.gz BUSHJGJJBBYSHU-AOIWGVFYSA-N 0 3 422.551 0.767 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000463401193 1075726027 /nfs/dbraw/zinc/72/60/27/1075726027.db2.gz BUSHJGJJBBYSHU-LMMKCTJWSA-N 0 3 422.551 0.767 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000463401194 1075725949 /nfs/dbraw/zinc/72/59/49/1075725949.db2.gz BUSHJGJJBBYSHU-ZHALLVOQSA-N 0 3 422.551 0.767 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000463401195 1075726233 /nfs/dbraw/zinc/72/62/33/1075726233.db2.gz BUSHJGJJBBYSHU-ZIFCJYIRSA-N 0 3 422.551 0.767 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000463408017 1075727957 /nfs/dbraw/zinc/72/79/57/1075727957.db2.gz AGWLEMHNFZWYII-AEFFLSMTSA-N 0 3 424.567 0.842 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000463408019 1075728057 /nfs/dbraw/zinc/72/80/57/1075728057.db2.gz AGWLEMHNFZWYII-SJLPKXTDSA-N 0 3 424.567 0.842 20 0 HCADHN CN(CCN1CCN(S(=O)(=O)CCCN2CCOCC2)CC1)Cc1ccccc1 ZINC000463410362 1075728258 /nfs/dbraw/zinc/72/82/58/1075728258.db2.gz BIIKMZSLYNIMBV-UHFFFAOYSA-N 0 3 424.611 0.788 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000463423504 1075735374 /nfs/dbraw/zinc/73/53/74/1075735374.db2.gz JGVVVKARNWBKHK-CABCVRRESA-N 0 3 402.561 0.442 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000463423505 1075735209 /nfs/dbraw/zinc/73/52/09/1075735209.db2.gz JGVVVKARNWBKHK-GJZGRUSLSA-N 0 3 402.561 0.442 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000463423506 1075735295 /nfs/dbraw/zinc/73/52/95/1075735295.db2.gz JGVVVKARNWBKHK-HUUCEWRRSA-N 0 3 402.561 0.442 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000463423507 1075735461 /nfs/dbraw/zinc/73/54/61/1075735461.db2.gz JGVVVKARNWBKHK-LSDHHAIUSA-N 0 3 402.561 0.442 20 0 HCADHN CC(C)(C)C(=O)Nc1nccnc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000463477264 1075750944 /nfs/dbraw/zinc/75/09/44/1075750944.db2.gz GEDIXMWFZNGFNT-UHFFFAOYSA-N 0 3 402.499 0.841 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 ZINC000463478030 1075754900 /nfs/dbraw/zinc/75/49/00/1075754900.db2.gz LJABCPPLZVYLLA-NRFANRHFSA-N 0 3 418.513 0.966 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 ZINC000463478031 1075754817 /nfs/dbraw/zinc/75/48/17/1075754817.db2.gz LJABCPPLZVYLLA-OAQYLSRUSA-N 0 3 418.513 0.966 20 0 HCADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000463526607 1075763176 /nfs/dbraw/zinc/76/31/76/1075763176.db2.gz NAUXTSHRXQWWNM-UHFFFAOYSA-N 0 3 409.288 0.730 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000463550178 1075769749 /nfs/dbraw/zinc/76/97/49/1075769749.db2.gz GOERZCAEPDTEQI-INIZCTEOSA-N 0 3 417.485 0.881 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000463550179 1075769826 /nfs/dbraw/zinc/76/98/26/1075769826.db2.gz GOERZCAEPDTEQI-MRXNPFEDSA-N 0 3 417.485 0.881 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCN3CCC[C@H](C)C3)c2)nn1 ZINC000463627413 1075780804 /nfs/dbraw/zinc/78/08/04/1075780804.db2.gz CBQUBVHXBJNBNL-AWEZNQCLSA-N 0 3 414.466 0.841 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCN3CCC[C@@H](C)C3)c2)nn1 ZINC000463627414 1075780754 /nfs/dbraw/zinc/78/07/54/1075780754.db2.gz CBQUBVHXBJNBNL-CQSZACIVSA-N 0 3 414.466 0.841 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463627432 1075781025 /nfs/dbraw/zinc/78/10/25/1075781025.db2.gz CKJOKUIHBHYMOE-INIZCTEOSA-N 0 3 401.511 0.405 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463627433 1075781120 /nfs/dbraw/zinc/78/11/20/1075781120.db2.gz CKJOKUIHBHYMOE-MRXNPFEDSA-N 0 3 401.511 0.405 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCN3CCCCCC3)c2)nn1 ZINC000463627467 1075780978 /nfs/dbraw/zinc/78/09/78/1075780978.db2.gz CZTKSLUIEKVOGB-UHFFFAOYSA-N 0 3 414.466 0.985 20 0 HCADHN O=C(NCCN1CCCCCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463627920 1075780827 /nfs/dbraw/zinc/78/08/27/1075780827.db2.gz DSGCIGOPMNKPPX-UHFFFAOYSA-N 0 3 401.511 0.549 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCC[C@H](C)C1 ZINC000463630165 1075782354 /nfs/dbraw/zinc/78/23/54/1075782354.db2.gz RLFHDLXLHMWRHO-DLBZAZTESA-N 0 3 415.538 0.794 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCC[C@@H](C)C1 ZINC000463630166 1075782409 /nfs/dbraw/zinc/78/24/09/1075782409.db2.gz RLFHDLXLHMWRHO-IAGOWNOFSA-N 0 3 415.538 0.794 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCC[C@H](C)C1 ZINC000463630167 1075782313 /nfs/dbraw/zinc/78/23/13/1075782313.db2.gz RLFHDLXLHMWRHO-IRXDYDNUSA-N 0 3 415.538 0.794 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCC[C@@H](C)C1 ZINC000463630168 1075782390 /nfs/dbraw/zinc/78/23/90/1075782390.db2.gz RLFHDLXLHMWRHO-SJORKVTESA-N 0 3 415.538 0.794 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463630577 1075782046 /nfs/dbraw/zinc/78/20/46/1075782046.db2.gz SWGZELUFEPVWBY-UHFFFAOYSA-N 0 3 401.511 0.405 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCN3CCC(C)CC3)c2)nn1 ZINC000463630787 1075781995 /nfs/dbraw/zinc/78/19/95/1075781995.db2.gz UUACZXHFHNEPLJ-UHFFFAOYSA-N 0 3 414.466 0.841 20 0 HCADHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463630957 1075781686 /nfs/dbraw/zinc/78/16/86/1075781686.db2.gz QJARGXNOPKOYAP-INIZCTEOSA-N 0 3 401.511 0.548 20 0 HCADHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463630958 1075781848 /nfs/dbraw/zinc/78/18/48/1075781848.db2.gz QJARGXNOPKOYAP-MRXNPFEDSA-N 0 3 401.511 0.548 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCN3CCCC[C@@H]3C)c2)nn1 ZINC000463632587 1075782994 /nfs/dbraw/zinc/78/29/94/1075782994.db2.gz YZFHRPKKWAMEHR-AWEZNQCLSA-N 0 3 414.466 0.983 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCN3CCCC[C@H]3C)c2)nn1 ZINC000463632590 1075783026 /nfs/dbraw/zinc/78/30/26/1075783026.db2.gz YZFHRPKKWAMEHR-CQSZACIVSA-N 0 3 414.466 0.983 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H](C)CN3CCCCC3)c2)nn1 ZINC000463633083 1075782841 /nfs/dbraw/zinc/78/28/41/1075782841.db2.gz BRQULNHQJIOSBO-AWEZNQCLSA-N 0 3 414.466 0.983 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H](C)CN3CCCCC3)c2)nn1 ZINC000463633084 1075782873 /nfs/dbraw/zinc/78/28/73/1075782873.db2.gz BRQULNHQJIOSBO-CQSZACIVSA-N 0 3 414.466 0.983 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463634684 1075783231 /nfs/dbraw/zinc/78/32/31/1075783231.db2.gz CYJALNYVUNSIQS-INIZCTEOSA-N 0 3 401.511 0.548 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463634685 1075783314 /nfs/dbraw/zinc/78/33/14/1075783314.db2.gz CYJALNYVUNSIQS-MRXNPFEDSA-N 0 3 401.511 0.548 20 0 HCADHN CC(C)(CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCCCC1 ZINC000463636041 1075783519 /nfs/dbraw/zinc/78/35/19/1075783519.db2.gz RNXHVCJQNHPISH-UHFFFAOYSA-N 0 3 415.538 0.938 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCCC[C@@H]1C ZINC000463651410 1075787670 /nfs/dbraw/zinc/78/76/70/1075787670.db2.gz UPJJROPJEDVNSS-DLBZAZTESA-N 0 3 415.538 0.936 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCCC[C@H]1C ZINC000463651411 1075787603 /nfs/dbraw/zinc/78/76/03/1075787603.db2.gz UPJJROPJEDVNSS-IAGOWNOFSA-N 0 3 415.538 0.936 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCCC[C@@H]1C ZINC000463651412 1075787569 /nfs/dbraw/zinc/78/75/69/1075787569.db2.gz UPJJROPJEDVNSS-IRXDYDNUSA-N 0 3 415.538 0.936 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCCC[C@H]1C ZINC000463651413 1075787632 /nfs/dbraw/zinc/78/76/32/1075787632.db2.gz UPJJROPJEDVNSS-SJORKVTESA-N 0 3 415.538 0.936 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCC(C)CC1 ZINC000463653088 1075787993 /nfs/dbraw/zinc/78/79/93/1075787993.db2.gz ANIFPMPBDMZVBI-KRWDZBQOSA-N 0 3 415.538 0.794 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)N1CCC(C)CC1 ZINC000463653089 1075787947 /nfs/dbraw/zinc/78/79/47/1075787947.db2.gz ANIFPMPBDMZVBI-QGZVFWFLSA-N 0 3 415.538 0.794 20 0 HCADHN Cc1nn(C)c2cc(NC(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)ccc12 ZINC000463654703 1075788649 /nfs/dbraw/zinc/78/86/49/1075788649.db2.gz HOWUBEYOSDWVEK-KRWDZBQOSA-N 0 3 414.510 0.879 20 0 HCADHN Cc1nn(C)c2cc(NC(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)ccc12 ZINC000463654704 1075788598 /nfs/dbraw/zinc/78/85/98/1075788598.db2.gz HOWUBEYOSDWVEK-QGZVFWFLSA-N 0 3 414.510 0.879 20 0 HCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656361 1075785334 /nfs/dbraw/zinc/78/53/34/1075785334.db2.gz SNPWUCKPDSHBQD-DLBZAZTESA-N 0 3 415.538 0.794 20 0 HCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656362 1075785325 /nfs/dbraw/zinc/78/53/25/1075785325.db2.gz SNPWUCKPDSHBQD-IAGOWNOFSA-N 0 3 415.538 0.794 20 0 HCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656363 1075785276 /nfs/dbraw/zinc/78/52/76/1075785276.db2.gz SNPWUCKPDSHBQD-IRXDYDNUSA-N 0 3 415.538 0.794 20 0 HCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656364 1075785289 /nfs/dbraw/zinc/78/52/89/1075785289.db2.gz SNPWUCKPDSHBQD-SJORKVTESA-N 0 3 415.538 0.794 20 0 HCADHN O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000463656724 1075789041 /nfs/dbraw/zinc/78/90/41/1075789041.db2.gz VELNFOJXVVAYPN-IBGZPJMESA-N 0 3 413.522 0.644 20 0 HCADHN O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000463656725 1075789149 /nfs/dbraw/zinc/78/91/49/1075789149.db2.gz VELNFOJXVVAYPN-LJQANCHMSA-N 0 3 413.522 0.644 20 0 HCADHN Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc12 ZINC000463657533 1075792443 /nfs/dbraw/zinc/79/24/43/1075792443.db2.gz WENFGROJQDFWLR-UHFFFAOYSA-N 0 3 412.494 0.587 20 0 HCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463662145 1075789705 /nfs/dbraw/zinc/78/97/05/1075789705.db2.gz DSUKKUUSDNNZSR-CALCHBBNSA-N 0 3 415.538 0.936 20 0 HCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463662146 1075789741 /nfs/dbraw/zinc/78/97/41/1075789741.db2.gz DSUKKUUSDNNZSR-IAGOWNOFSA-N 0 3 415.538 0.936 20 0 HCADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463662147 1075789875 /nfs/dbraw/zinc/78/98/75/1075789875.db2.gz DSUKKUUSDNNZSR-IRXDYDNUSA-N 0 3 415.538 0.936 20 0 HCADHN NC(=O)Cn1cc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)nn1 ZINC000463669441 1075790981 /nfs/dbraw/zinc/79/09/81/1075790981.db2.gz YQAVNKXKKUMTNQ-UHFFFAOYSA-N 0 3 406.874 0.690 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCCN(C(C)C)CC3)c2)nn1 ZINC000463672590 1075791834 /nfs/dbraw/zinc/79/18/34/1075791834.db2.gz KJLDFHINJKWELM-UHFFFAOYSA-N 0 3 414.466 0.935 20 0 HCADHN CC(C)N1CCCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463672665 1075791514 /nfs/dbraw/zinc/79/15/14/1075791514.db2.gz LCXABDIKIAULLO-UHFFFAOYSA-N 0 3 401.511 0.500 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1 ZINC000463672833 1075791541 /nfs/dbraw/zinc/79/15/41/1075791541.db2.gz ASZVSOLKHFYSRK-UHFFFAOYSA-N 0 3 414.510 0.833 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CCSC1 ZINC000463712981 1075800410 /nfs/dbraw/zinc/80/04/10/1075800410.db2.gz FWXNKEUWNZTESA-FQEVSTJZSA-N 0 3 419.551 0.110 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CCSC1 ZINC000463712982 1075800447 /nfs/dbraw/zinc/80/04/47/1075800447.db2.gz FWXNKEUWNZTESA-HXUWFJFHSA-N 0 3 419.551 0.110 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463714488 1075800696 /nfs/dbraw/zinc/80/06/96/1075800696.db2.gz BYTVSFBKXAOXQN-HNNXBMFYSA-N 0 3 400.439 0.593 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463714489 1075800653 /nfs/dbraw/zinc/80/06/53/1075800653.db2.gz BYTVSFBKXAOXQN-OAHLLOKOSA-N 0 3 400.439 0.593 20 0 HCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463718888 1075801019 /nfs/dbraw/zinc/80/10/19/1075801019.db2.gz PGKQJYNUFRWANH-IBGZPJMESA-N 0 3 415.538 0.938 20 0 HCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463718890 1075800980 /nfs/dbraw/zinc/80/09/80/1075800980.db2.gz PGKQJYNUFRWANH-LJQANCHMSA-N 0 3 415.538 0.938 20 0 HCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463723291 1075801563 /nfs/dbraw/zinc/80/15/63/1075801563.db2.gz ACNPECDPKURIIA-INIZCTEOSA-N 0 3 414.466 0.983 20 0 HCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463723292 1075801586 /nfs/dbraw/zinc/80/15/86/1075801586.db2.gz ACNPECDPKURIIA-MRXNPFEDSA-N 0 3 414.466 0.983 20 0 HCADHN COC(=O)C[C@@]1(NCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CCOC1 ZINC000463730259 1075802810 /nfs/dbraw/zinc/80/28/10/1075802810.db2.gz NLBFZCHAUKFPNZ-NRFANRHFSA-N 0 3 422.478 0.745 20 0 HCADHN COC(=O)C[C@]1(NCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CCOC1 ZINC000463730260 1075802761 /nfs/dbraw/zinc/80/27/61/1075802761.db2.gz NLBFZCHAUKFPNZ-OAQYLSRUSA-N 0 3 422.478 0.745 20 0 HCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463734027 1075803134 /nfs/dbraw/zinc/80/31/34/1075803134.db2.gz YYIUHVGNNPJEDZ-GOSISDBHSA-N 0 3 401.511 0.548 20 0 HCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463734028 1075803204 /nfs/dbraw/zinc/80/32/04/1075803204.db2.gz YYIUHVGNNPJEDZ-SFHVURJKSA-N 0 3 401.511 0.548 20 0 HCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463765832 1075805760 /nfs/dbraw/zinc/80/57/60/1075805760.db2.gz SQRNMUXRBLJKQD-GOSISDBHSA-N 0 3 415.538 0.794 20 0 HCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463765833 1075805804 /nfs/dbraw/zinc/80/58/04/1075805804.db2.gz SQRNMUXRBLJKQD-SFHVURJKSA-N 0 3 415.538 0.794 20 0 HCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463767744 1075806131 /nfs/dbraw/zinc/80/61/31/1075806131.db2.gz LRLYOQFRUHMSCE-UHFFFAOYSA-N 0 3 415.538 0.795 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)CCN(C)C3CC3)c2)nn1 ZINC000463784189 1075812085 /nfs/dbraw/zinc/81/20/85/1075812085.db2.gz WFRKILGSXKPQLM-UHFFFAOYSA-N 0 3 400.439 0.545 20 0 HCADHN Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)ccc12 ZINC000463785998 1075812781 /nfs/dbraw/zinc/81/27/81/1075812781.db2.gz YDMLFDXGMAIJMZ-KRWDZBQOSA-N 0 3 412.494 0.585 20 0 HCADHN Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)ccc12 ZINC000463786002 1075812756 /nfs/dbraw/zinc/81/27/56/1075812756.db2.gz YDMLFDXGMAIJMZ-QGZVFWFLSA-N 0 3 412.494 0.585 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000463786485 1080634455 /nfs/dbraw/zinc/63/44/55/1080634455.db2.gz ZKVMBKQEAUTYIK-JTQLQIEISA-N 0 3 419.429 0.865 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463792759 1075809124 /nfs/dbraw/zinc/80/91/24/1075809124.db2.gz AOYVUJKZRSGQQZ-UHFFFAOYSA-N 0 3 403.527 0.603 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H](C)C3=CCN(C)CC3)c2)nn1 ZINC000463802637 1075813726 /nfs/dbraw/zinc/81/37/26/1075813726.db2.gz ZDEGLUSBJXFYDI-CYBMUJFWSA-N 0 3 412.450 0.759 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H](C)C3=CCN(C)CC3)c2)nn1 ZINC000463802638 1075813701 /nfs/dbraw/zinc/81/37/01/1075813701.db2.gz ZDEGLUSBJXFYDI-ZDUSSCGKSA-N 0 3 412.450 0.759 20 0 HCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463804090 1075813763 /nfs/dbraw/zinc/81/37/63/1075813763.db2.gz YOPAKOZRNLZBJE-MOPGFXCFSA-N 0 3 413.522 0.642 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)CCN3CCCC3)c2)nn1 ZINC000463805817 1075814679 /nfs/dbraw/zinc/81/46/79/1075814679.db2.gz GSLGNYAUYKHOKO-UHFFFAOYSA-N 0 3 400.439 0.547 20 0 HCADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463849830 1075822502 /nfs/dbraw/zinc/82/25/02/1075822502.db2.gz USQVAOFRGAQNDZ-UHFFFAOYSA-N 0 3 415.538 0.891 20 0 HCADHN CC(C)N1CCN(C2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)CC1 ZINC000463851823 1075827274 /nfs/dbraw/zinc/82/72/74/1075827274.db2.gz VOVXWZKTSNYLBE-UHFFFAOYSA-N 0 3 402.605 0.529 20 0 HCADHN CN1CCN(CC2(C)CCN(S(=O)(=O)CCCN3CCOCC3)CC2)CC1 ZINC000463858918 1075829667 /nfs/dbraw/zinc/82/96/67/1075829667.db2.gz VJMSNHBBMNUYMU-UHFFFAOYSA-N 0 3 402.605 0.388 20 0 HCADHN O=S(=O)(CCCN1CCOCC1)NCc1ccccc1CN1CCC[C@H]1CO ZINC000463873563 1075830674 /nfs/dbraw/zinc/83/06/74/1075830674.db2.gz SDSZEKGXXHJOTB-FQEVSTJZSA-N 0 3 411.568 0.785 20 0 HCADHN O=S(=O)(CCCN1CCOCC1)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000463873564 1075830953 /nfs/dbraw/zinc/83/09/53/1075830953.db2.gz SDSZEKGXXHJOTB-HXUWFJFHSA-N 0 3 411.568 0.785 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)N3CCCN([C@@H](C)CO)CC3)c2)nn1 ZINC000463902890 1075839598 /nfs/dbraw/zinc/83/95/98/1075839598.db2.gz DUIMJNMZGQVNHY-AWEZNQCLSA-N 0 3 402.455 0.974 20 0 HCADHN COC(=O)c1cn(-c2cccc(NC(=O)N3CCCN([C@H](C)CO)CC3)c2)nn1 ZINC000463902891 1075839565 /nfs/dbraw/zinc/83/95/65/1075839565.db2.gz DUIMJNMZGQVNHY-CQSZACIVSA-N 0 3 402.455 0.974 20 0 HCADHN CCN(C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[C@@H]1CCOC1 ZINC000463969688 1075844121 /nfs/dbraw/zinc/84/41/21/1075844121.db2.gz JTBWCHDISLVDNY-GOSISDBHSA-N 0 3 402.495 0.960 20 0 HCADHN CCN(C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[C@H]1CCOC1 ZINC000463969689 1075844101 /nfs/dbraw/zinc/84/41/01/1075844101.db2.gz JTBWCHDISLVDNY-SFHVURJKSA-N 0 3 402.495 0.960 20 0 HCADHN COC(=O)c1cc(NC(=O)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cn1C ZINC000463973203 1075844457 /nfs/dbraw/zinc/84/44/57/1075844457.db2.gz SSUXNZRCDMBFQU-INIZCTEOSA-N 0 3 400.435 0.956 20 0 HCADHN COC(=O)c1cc(NC(=O)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cn1C ZINC000463973204 1075844475 /nfs/dbraw/zinc/84/44/75/1075844475.db2.gz SSUXNZRCDMBFQU-MRXNPFEDSA-N 0 3 400.435 0.956 20 0 HCADHN CC1(C)[C@@H](O)CCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000463979252 1075843133 /nfs/dbraw/zinc/84/31/33/1075843133.db2.gz VQYBXACCJAVYOV-KRWDZBQOSA-N 0 3 402.495 0.694 20 0 HCADHN CC1(C)[C@H](O)CCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000463979253 1075843108 /nfs/dbraw/zinc/84/31/08/1075843108.db2.gz VQYBXACCJAVYOV-QGZVFWFLSA-N 0 3 402.495 0.694 20 0 HCADHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000463986842 1075845459 /nfs/dbraw/zinc/84/54/59/1075845459.db2.gz BPUWYASYKQUSBG-GOSISDBHSA-N 0 3 407.434 0.806 20 0 HCADHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000463986843 1075845424 /nfs/dbraw/zinc/84/54/24/1075845424.db2.gz BPUWYASYKQUSBG-SFHVURJKSA-N 0 3 407.434 0.806 20 0 HCADHN NC(=O)COc1cccc(NC(=O)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000463989369 1075845640 /nfs/dbraw/zinc/84/56/40/1075845640.db2.gz IEHXPKKXSRWHBY-KRWDZBQOSA-N 0 3 412.446 0.695 20 0 HCADHN NC(=O)COc1cccc(NC(=O)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000463989371 1075845685 /nfs/dbraw/zinc/84/56/85/1075845685.db2.gz IEHXPKKXSRWHBY-QGZVFWFLSA-N 0 3 412.446 0.695 20 0 HCADHN COC(=O)Cn1ncc(NC(=O)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1C ZINC000463990263 1075845821 /nfs/dbraw/zinc/84/58/21/1075845821.db2.gz ORRQBVYSJIEVQX-INIZCTEOSA-N 0 3 415.450 0.508 20 0 HCADHN COC(=O)Cn1ncc(NC(=O)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1C ZINC000463990264 1075845828 /nfs/dbraw/zinc/84/58/28/1075845828.db2.gz ORRQBVYSJIEVQX-MRXNPFEDSA-N 0 3 415.450 0.508 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H](n4cccn4)C3)c2)CC1 ZINC000463992895 1075846592 /nfs/dbraw/zinc/84/65/92/1075846592.db2.gz OWNQEBGAKCAESS-IBGZPJMESA-N 0 3 424.505 0.993 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H](n4cccn4)C3)c2)CC1 ZINC000463992896 1075846618 /nfs/dbraw/zinc/84/66/18/1075846618.db2.gz OWNQEBGAKCAESS-LJQANCHMSA-N 0 3 424.505 0.993 20 0 HCADHN COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000464015630 1075850894 /nfs/dbraw/zinc/85/08/94/1075850894.db2.gz NJRMKSIUTTXWRE-INIZCTEOSA-N 0 3 406.483 0.757 20 0 HCADHN COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000464015636 1075850865 /nfs/dbraw/zinc/85/08/65/1075850865.db2.gz NJRMKSIUTTXWRE-MRXNPFEDSA-N 0 3 406.483 0.757 20 0 HCADHN COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000464023714 1075853833 /nfs/dbraw/zinc/85/38/33/1075853833.db2.gz NILVBETXZJFMMX-HNNXBMFYSA-N 0 3 420.466 0.359 20 0 HCADHN COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000464023717 1075853814 /nfs/dbraw/zinc/85/38/14/1075853814.db2.gz NILVBETXZJFMMX-OAHLLOKOSA-N 0 3 420.466 0.359 20 0 HCADHN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000464034357 1075852664 /nfs/dbraw/zinc/85/26/64/1075852664.db2.gz UNUULQYNWKCCBQ-UHFFFAOYSA-N 0 3 419.570 0.814 20 0 HCADHN O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000464100011 1075862768 /nfs/dbraw/zinc/86/27/68/1075862768.db2.gz DKLXDCWOFOQJHQ-GOSISDBHSA-N 0 3 407.434 0.806 20 0 HCADHN O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000464100012 1075862786 /nfs/dbraw/zinc/86/27/86/1075862786.db2.gz DKLXDCWOFOQJHQ-SFHVURJKSA-N 0 3 407.434 0.806 20 0 HCADHN COc1c(NC(=O)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cccc1C(N)=O ZINC000464102798 1075864712 /nfs/dbraw/zinc/86/47/12/1075864712.db2.gz BLCZNKPBMDERAZ-HNNXBMFYSA-N 0 3 412.446 0.938 20 0 HCADHN COc1c(NC(=O)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cccc1C(N)=O ZINC000464102799 1075864950 /nfs/dbraw/zinc/86/49/50/1075864950.db2.gz BLCZNKPBMDERAZ-OAHLLOKOSA-N 0 3 412.446 0.938 20 0 HCADHN COc1ncc(NC(=O)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1C(N)=O ZINC000464106557 1075865743 /nfs/dbraw/zinc/86/57/43/1075865743.db2.gz WTRWQUGXMOGCAP-HNNXBMFYSA-N 0 3 413.434 0.333 20 0 HCADHN COc1ncc(NC(=O)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1C(N)=O ZINC000464106558 1075865983 /nfs/dbraw/zinc/86/59/83/1075865983.db2.gz WTRWQUGXMOGCAP-OAHLLOKOSA-N 0 3 413.434 0.333 20 0 HCADHN NC(=O)COc1ccc(NC(=O)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000464108009 1075866253 /nfs/dbraw/zinc/86/62/53/1075866253.db2.gz NNRGNCJBXBUPRJ-KRWDZBQOSA-N 0 3 412.446 0.695 20 0 HCADHN NC(=O)COc1ccc(NC(=O)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000464108010 1075866237 /nfs/dbraw/zinc/86/62/37/1075866237.db2.gz NNRGNCJBXBUPRJ-QGZVFWFLSA-N 0 3 412.446 0.695 20 0 HCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000464112495 1075866737 /nfs/dbraw/zinc/86/67/37/1075866737.db2.gz DUVFFCCEPYIGIG-HNNXBMFYSA-N 0 3 414.466 0.695 20 0 HCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000464112496 1075866718 /nfs/dbraw/zinc/86/67/18/1075866718.db2.gz DUVFFCCEPYIGIG-OAHLLOKOSA-N 0 3 414.466 0.695 20 0 HCADHN NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)cc21 ZINC000464114205 1075867209 /nfs/dbraw/zinc/86/72/09/1075867209.db2.gz BYMVKAMOESIDHI-HNNXBMFYSA-N 0 3 422.445 0.806 20 0 HCADHN NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)cc21 ZINC000464114206 1075867150 /nfs/dbraw/zinc/86/71/50/1075867150.db2.gz BYMVKAMOESIDHI-OAHLLOKOSA-N 0 3 422.445 0.806 20 0 HCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCC(F)(F)[C@@H](CO)C3)cn2)CC1 ZINC000464115982 1075864071 /nfs/dbraw/zinc/86/40/71/1075864071.db2.gz QEYMWMUOVOHQHI-CYBMUJFWSA-N 0 3 412.437 0.969 20 0 HCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCC(F)(F)[C@H](CO)C3)cn2)CC1 ZINC000464115983 1075864025 /nfs/dbraw/zinc/86/40/25/1075864025.db2.gz QEYMWMUOVOHQHI-ZDUSSCGKSA-N 0 3 412.437 0.969 20 0 HCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000464122491 1075868363 /nfs/dbraw/zinc/86/83/63/1075868363.db2.gz MUCPPTUQZHHFQS-HNNXBMFYSA-N 0 3 415.450 0.741 20 0 HCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000464122492 1075868390 /nfs/dbraw/zinc/86/83/90/1075868390.db2.gz MUCPPTUQZHHFQS-OAHLLOKOSA-N 0 3 415.450 0.741 20 0 HCADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000464127713 1075869701 /nfs/dbraw/zinc/86/97/01/1075869701.db2.gz YYOXXAAYXLEEIG-OAHLLOKOSA-N 0 3 415.450 0.741 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000464215244 1075878328 /nfs/dbraw/zinc/87/83/28/1075878328.db2.gz AZNNQGSNIGAPOL-KRWDZBQOSA-N 0 3 421.517 0.620 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000464215245 1075878391 /nfs/dbraw/zinc/87/83/91/1075878391.db2.gz AZNNQGSNIGAPOL-QGZVFWFLSA-N 0 3 421.517 0.620 20 0 HCADHN CCC1(CC)CN(C(=O)NCCCCN2CCN(CCO)CC2)CCS1(=O)=O ZINC000464220144 1075880833 /nfs/dbraw/zinc/88/08/33/1075880833.db2.gz UBBQNBHUOTWPON-UHFFFAOYSA-N 0 3 418.604 0.375 20 0 HCADHN CC(=O)NCCNC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000465410214 1077538139 /nfs/dbraw/zinc/53/81/39/1077538139.db2.gz MXFHARUBRCKJQF-UHFFFAOYSA-N 0 3 403.527 0.792 20 0 HCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000465423203 1077594913 /nfs/dbraw/zinc/59/49/13/1077594913.db2.gz QKZGMHDVSHSOHR-CVEARBPZSA-N 0 3 410.540 0.829 20 0 HCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000465423204 1077594821 /nfs/dbraw/zinc/59/48/21/1077594821.db2.gz QKZGMHDVSHSOHR-HOTGVXAUSA-N 0 3 410.540 0.829 20 0 HCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000465423205 1077595009 /nfs/dbraw/zinc/59/50/09/1077595009.db2.gz QKZGMHDVSHSOHR-HZPDHXFCSA-N 0 3 410.540 0.829 20 0 HCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000465423206 1077595060 /nfs/dbraw/zinc/59/50/60/1077595060.db2.gz QKZGMHDVSHSOHR-JKSUJKDBSA-N 0 3 410.540 0.829 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000465448654 1077655570 /nfs/dbraw/zinc/65/55/70/1077655570.db2.gz ULYCOJGEHZMEHR-INIZCTEOSA-N 0 3 411.572 0.449 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000465448655 1077655517 /nfs/dbraw/zinc/65/55/17/1077655517.db2.gz ULYCOJGEHZMEHR-MRXNPFEDSA-N 0 3 411.572 0.449 20 0 HCADHN C[C@@H](CNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)CN1CCN(C)CC1 ZINC000465478836 1077784286 /nfs/dbraw/zinc/78/42/86/1077784286.db2.gz RQKUSWIXLNEWER-INIZCTEOSA-N 0 3 408.547 0.424 20 0 HCADHN C[C@H](CNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)CN1CCN(C)CC1 ZINC000465478837 1077784369 /nfs/dbraw/zinc/78/43/69/1077784369.db2.gz RQKUSWIXLNEWER-MRXNPFEDSA-N 0 3 408.547 0.424 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000465481155 1077807778 /nfs/dbraw/zinc/80/77/78/1077807778.db2.gz YISIRMMPNJPNHA-INIZCTEOSA-N 0 3 409.531 0.993 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000465481156 1077807755 /nfs/dbraw/zinc/80/77/55/1077807755.db2.gz YISIRMMPNJPNHA-MRXNPFEDSA-N 0 3 409.531 0.993 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000465482748 1077807357 /nfs/dbraw/zinc/80/73/57/1077807357.db2.gz ZJTQOFXXPGVUIK-KRWDZBQOSA-N 0 3 422.574 0.814 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000465482749 1077807289 /nfs/dbraw/zinc/80/72/89/1077807289.db2.gz ZJTQOFXXPGVUIK-QGZVFWFLSA-N 0 3 422.574 0.814 20 0 HCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)s1 ZINC000465497628 1077880521 /nfs/dbraw/zinc/88/05/21/1077880521.db2.gz WKRHSWPSNVDJBT-CYBMUJFWSA-N 0 3 403.574 0.339 20 0 HCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)s1 ZINC000465497629 1077880467 /nfs/dbraw/zinc/88/04/67/1077880467.db2.gz WKRHSWPSNVDJBT-ZDUSSCGKSA-N 0 3 403.574 0.339 20 0 HCADHN C[C@@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)C)CN1CCN(C)CC1 ZINC000465502127 1077896040 /nfs/dbraw/zinc/89/60/40/1077896040.db2.gz AQSDGTQXDLJPKQ-INIZCTEOSA-N 0 3 411.572 0.620 20 0 HCADHN C[C@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)C)CN1CCN(C)CC1 ZINC000465502128 1077896023 /nfs/dbraw/zinc/89/60/23/1077896023.db2.gz AQSDGTQXDLJPKQ-MRXNPFEDSA-N 0 3 411.572 0.620 20 0 HCADHN C[C@@H](CNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000465509117 1077948604 /nfs/dbraw/zinc/94/86/04/1077948604.db2.gz SJXBXUGKGMFCFU-AZUAARDMSA-N 0 3 416.570 0.424 20 0 HCADHN C[C@@H](CNC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000465509118 1077948440 /nfs/dbraw/zinc/94/84/40/1077948440.db2.gz SJXBXUGKGMFCFU-ICSRJNTNSA-N 0 3 416.570 0.424 20 0 HCADHN C[C@H](CNC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000465509119 1077948668 /nfs/dbraw/zinc/94/86/68/1077948668.db2.gz SJXBXUGKGMFCFU-QUCCMNQESA-N 0 3 416.570 0.424 20 0 HCADHN C[C@H](CNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000465509120 1077948408 /nfs/dbraw/zinc/94/84/08/1077948408.db2.gz SJXBXUGKGMFCFU-UYAOXDASSA-N 0 3 416.570 0.424 20 0 HCADHN C[C@H](CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)CN1CCN(C)CC1 ZINC000465515908 1078023370 /nfs/dbraw/zinc/02/33/70/1078023370.db2.gz KTGXRFBIIUOIJJ-MSOLQXFVSA-N 0 3 404.559 0.989 20 0 HCADHN C[C@H](CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)CN1CCN(C)CC1 ZINC000465515909 1078023242 /nfs/dbraw/zinc/02/32/42/1078023242.db2.gz KTGXRFBIIUOIJJ-QZTJIDSGSA-N 0 3 404.559 0.989 20 0 HCADHN C[C@@H](CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)CN1CCN(C)CC1 ZINC000465515910 1078023223 /nfs/dbraw/zinc/02/32/23/1078023223.db2.gz KTGXRFBIIUOIJJ-ROUUACIJSA-N 0 3 404.559 0.989 20 0 HCADHN C[C@@H](CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)CN1CCN(C)CC1 ZINC000465515911 1078023595 /nfs/dbraw/zinc/02/35/95/1078023595.db2.gz KTGXRFBIIUOIJJ-ZWKOTPCHSA-N 0 3 404.559 0.989 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000465516091 1078047902 /nfs/dbraw/zinc/04/79/02/1078047902.db2.gz NSWUZLVASDVYTR-GOSISDBHSA-N 0 3 404.559 0.991 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000465516092 1078047844 /nfs/dbraw/zinc/04/78/44/1078047844.db2.gz NSWUZLVASDVYTR-SFHVURJKSA-N 0 3 404.559 0.991 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000465524380 1078089983 /nfs/dbraw/zinc/08/99/83/1078089983.db2.gz MATNTQSHTPCAKR-UHFFFAOYSA-N 0 3 417.554 0.525 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000465528023 1078102352 /nfs/dbraw/zinc/10/23/52/1078102352.db2.gz WWTKETSXVNGDCU-GOSISDBHSA-N 0 3 404.559 0.991 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000465528024 1078102300 /nfs/dbraw/zinc/10/23/00/1078102300.db2.gz WWTKETSXVNGDCU-SFHVURJKSA-N 0 3 404.559 0.991 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000465551942 1078871973 /nfs/dbraw/zinc/87/19/73/1078871973.db2.gz SWFQCGANRVELSK-KRWDZBQOSA-N 0 3 417.558 0.286 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000465551943 1078871940 /nfs/dbraw/zinc/87/19/40/1078871940.db2.gz SWFQCGANRVELSK-QGZVFWFLSA-N 0 3 417.558 0.286 20 0 HCADHN CN1CCN(Cc2ccc(CNC(=O)N3CCc4nn(C)c(=O)cc4C3)cc2)CC1 ZINC000465556014 1079236717 /nfs/dbraw/zinc/23/67/17/1079236717.db2.gz NKHMTCKAPOALQW-UHFFFAOYSA-N 0 3 410.522 0.796 20 0 HCADHN CCCS(=O)(=O)N1CCC(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000465556701 1079223738 /nfs/dbraw/zinc/22/37/38/1079223738.db2.gz ULXZBGSBIZWHMB-KRWDZBQOSA-N 0 3 404.577 0.943 20 0 HCADHN CCCS(=O)(=O)N1CCC(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000465556702 1079223815 /nfs/dbraw/zinc/22/38/15/1079223815.db2.gz ULXZBGSBIZWHMB-QGZVFWFLSA-N 0 3 404.577 0.943 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561230 1078855299 /nfs/dbraw/zinc/85/52/99/1078855299.db2.gz BWAJEOQWBHLDDB-CVEARBPZSA-N 0 3 411.572 0.968 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561232 1078855357 /nfs/dbraw/zinc/85/53/57/1078855357.db2.gz BWAJEOQWBHLDDB-HOTGVXAUSA-N 0 3 411.572 0.968 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561234 1078855287 /nfs/dbraw/zinc/85/52/87/1078855287.db2.gz BWAJEOQWBHLDDB-HZPDHXFCSA-N 0 3 411.572 0.968 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561236 1078855380 /nfs/dbraw/zinc/85/53/80/1078855380.db2.gz BWAJEOQWBHLDDB-JKSUJKDBSA-N 0 3 411.572 0.968 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000465562087 1078870009 /nfs/dbraw/zinc/87/00/09/1078870009.db2.gz DFHARSMQDMLKHT-KRWDZBQOSA-N 0 3 411.572 0.538 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000465562088 1078869917 /nfs/dbraw/zinc/86/99/17/1078869917.db2.gz DFHARSMQDMLKHT-QGZVFWFLSA-N 0 3 411.572 0.538 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCNC(=O)c2cccc(OC)c2)CC1 ZINC000465564040 1079023688 /nfs/dbraw/zinc/02/36/88/1079023688.db2.gz DHLNYSKBUQQZJS-KRWDZBQOSA-N 0 3 405.543 0.998 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCNC(=O)c2cccc(OC)c2)CC1 ZINC000465564041 1079023496 /nfs/dbraw/zinc/02/34/96/1079023496.db2.gz DHLNYSKBUQQZJS-QGZVFWFLSA-N 0 3 405.543 0.998 20 0 HCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000465564371 1078994755 /nfs/dbraw/zinc/99/47/55/1078994755.db2.gz HRWYDPBRGWSBJK-INIZCTEOSA-N 0 3 403.593 0.373 20 0 HCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000465564372 1078994587 /nfs/dbraw/zinc/99/45/87/1078994587.db2.gz HRWYDPBRGWSBJK-MRXNPFEDSA-N 0 3 403.593 0.373 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000465568201 1079040590 /nfs/dbraw/zinc/04/05/90/1079040590.db2.gz HVCPLPAPTKUBTI-KRWDZBQOSA-N 0 3 411.572 0.456 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000465568202 1079040666 /nfs/dbraw/zinc/04/06/66/1079040666.db2.gz HVCPLPAPTKUBTI-QGZVFWFLSA-N 0 3 411.572 0.456 20 0 HCADHN C[C@@H](CNC(=O)NCCCN1CCN(c2ncccn2)CC1)CN1CCN(C)CC1 ZINC000465572387 1079059822 /nfs/dbraw/zinc/05/98/22/1079059822.db2.gz XXHWPKMBSHTDNI-IBGZPJMESA-N 0 3 418.590 0.171 20 0 HCADHN C[C@H](CNC(=O)NCCCN1CCN(c2ncccn2)CC1)CN1CCN(C)CC1 ZINC000465572400 1079059685 /nfs/dbraw/zinc/05/96/85/1079059685.db2.gz XXHWPKMBSHTDNI-LJQANCHMSA-N 0 3 418.590 0.171 20 0 HCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000465576884 1079123054 /nfs/dbraw/zinc/12/30/54/1079123054.db2.gz NUNFVNCLUPYPJR-KRWDZBQOSA-N 0 3 417.620 0.763 20 0 HCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000465576886 1079122951 /nfs/dbraw/zinc/12/29/51/1079122951.db2.gz NUNFVNCLUPYPJR-QGZVFWFLSA-N 0 3 417.620 0.763 20 0 HCADHN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000465580893 1079256110 /nfs/dbraw/zinc/25/61/10/1079256110.db2.gz QZRREQBWLDWOCN-GOSISDBHSA-N 0 3 420.535 0.863 20 0 HCADHN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000465580894 1079256079 /nfs/dbraw/zinc/25/60/79/1079256079.db2.gz QZRREQBWLDWOCN-SFHVURJKSA-N 0 3 420.535 0.863 20 0 HCADHN C[C@@H](CNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)CN1CCN(C)CC1 ZINC000465581054 1079260767 /nfs/dbraw/zinc/26/07/67/1079260767.db2.gz XNLGBUCRFOJCPD-KRWDZBQOSA-N 0 3 422.574 0.814 20 0 HCADHN C[C@H](CNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)CN1CCN(C)CC1 ZINC000465581055 1079260861 /nfs/dbraw/zinc/26/08/61/1079260861.db2.gz XNLGBUCRFOJCPD-QGZVFWFLSA-N 0 3 422.574 0.814 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000465586769 1079382996 /nfs/dbraw/zinc/38/29/96/1079382996.db2.gz BULHOPMTUZSXRY-FQEVSTJZSA-N 0 3 417.554 0.913 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000465586770 1079383009 /nfs/dbraw/zinc/38/30/09/1079383009.db2.gz BULHOPMTUZSXRY-HXUWFJFHSA-N 0 3 417.554 0.913 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000465588997 1079392480 /nfs/dbraw/zinc/39/24/80/1079392480.db2.gz CYDUHJHUINBLAT-INIZCTEOSA-N 0 3 411.572 0.668 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000465588998 1079392619 /nfs/dbraw/zinc/39/26/19/1079392619.db2.gz CYDUHJHUINBLAT-MRXNPFEDSA-N 0 3 411.572 0.668 20 0 HCADHN C[C@@](O)(CNC(=O)NCCCN1CCN(c2ccccc2)CC1)CN1CCOCC1 ZINC000465604726 1079498718 /nfs/dbraw/zinc/49/87/18/1079498718.db2.gz PHMAKQCIUNUESS-JOCHJYFZSA-N 0 3 419.570 0.581 20 0 HCADHN C[C@](O)(CNC(=O)NCCCN1CCN(c2ccccc2)CC1)CN1CCOCC1 ZINC000465604727 1079498566 /nfs/dbraw/zinc/49/85/66/1079498566.db2.gz PHMAKQCIUNUESS-QFIPXVFZSA-N 0 3 419.570 0.581 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000465643730 1080242481 /nfs/dbraw/zinc/24/24/81/1080242481.db2.gz XQCYGQVWRBZJQO-GOSISDBHSA-N 0 3 405.547 0.351 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000465643731 1080242752 /nfs/dbraw/zinc/24/27/52/1080242752.db2.gz XQCYGQVWRBZJQO-SFHVURJKSA-N 0 3 405.547 0.351 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000465646804 1080241905 /nfs/dbraw/zinc/24/19/05/1080241905.db2.gz SLRBWXDHJYUCAT-KRWDZBQOSA-N 0 3 407.563 0.344 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000465646805 1080242106 /nfs/dbraw/zinc/24/21/06/1080242106.db2.gz SLRBWXDHJYUCAT-QGZVFWFLSA-N 0 3 407.563 0.344 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000465648591 1080244448 /nfs/dbraw/zinc/24/44/48/1080244448.db2.gz IQXVXTJIHLMOGT-KRWDZBQOSA-N 0 3 405.543 0.998 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000465648692 1080244397 /nfs/dbraw/zinc/24/43/97/1080244397.db2.gz IQXVXTJIHLMOGT-QGZVFWFLSA-N 0 3 405.543 0.998 20 0 HCADHN Cn1ccnc(N2CCN(C(=O)NCC3(N4CCSCC4)CCCC3)CC2)c1=O ZINC000465649542 1080244949 /nfs/dbraw/zinc/24/49/49/1080244949.db2.gz CEFGHQOKADPHLF-UHFFFAOYSA-N 0 3 420.583 0.974 20 0 HCADHN C[C@@H](CNC(=O)NCCS(=O)(=O)NCc1ccccc1)CN1CCN(C)CC1 ZINC000465654593 1080245770 /nfs/dbraw/zinc/24/57/70/1080245770.db2.gz CBSAGYXGSFSXOT-KRWDZBQOSA-N 0 3 411.572 0.289 20 0 HCADHN C[C@H](CNC(=O)NCCS(=O)(=O)NCc1ccccc1)CN1CCN(C)CC1 ZINC000465654594 1080245853 /nfs/dbraw/zinc/24/58/53/1080245853.db2.gz CBSAGYXGSFSXOT-QGZVFWFLSA-N 0 3 411.572 0.289 20 0 HCADHN C[C@@H](CNC(=O)NCc1cccc(OCC(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000465655399 1080248044 /nfs/dbraw/zinc/24/80/44/1080248044.db2.gz PQKYVECSUUBYMK-KRWDZBQOSA-N 0 3 405.543 0.836 20 0 HCADHN C[C@H](CNC(=O)NCc1cccc(OCC(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000465655409 1080248091 /nfs/dbraw/zinc/24/80/91/1080248091.db2.gz PQKYVECSUUBYMK-QGZVFWFLSA-N 0 3 405.543 0.836 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000465656972 1080248134 /nfs/dbraw/zinc/24/81/34/1080248134.db2.gz JNIRBHPUDZFITN-IBGZPJMESA-N 0 3 418.590 0.171 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000465656973 1080247976 /nfs/dbraw/zinc/24/79/76/1080247976.db2.gz JNIRBHPUDZFITN-LJQANCHMSA-N 0 3 418.590 0.171 20 0 HCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000465658813 1080249726 /nfs/dbraw/zinc/24/97/26/1080249726.db2.gz LCXOXNQIIAMGKM-KRWDZBQOSA-N 0 3 408.524 0.767 20 0 HCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000465658815 1080249610 /nfs/dbraw/zinc/24/96/10/1080249610.db2.gz LCXOXNQIIAMGKM-QGZVFWFLSA-N 0 3 408.524 0.767 20 0 HCADHN C[C@@](O)(CNC(=O)NCC1(N2CCSCC2)CCCC1)CN1CCOCC1 ZINC000465663694 1080251194 /nfs/dbraw/zinc/25/11/94/1080251194.db2.gz TWMDFPYNHVFSQX-GOSISDBHSA-N 0 3 400.589 0.730 20 0 HCADHN C[C@](O)(CNC(=O)NCC1(N2CCSCC2)CCCC1)CN1CCOCC1 ZINC000465663696 1080251414 /nfs/dbraw/zinc/25/14/14/1080251414.db2.gz TWMDFPYNHVFSQX-SFHVURJKSA-N 0 3 400.589 0.730 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000465676675 1080260665 /nfs/dbraw/zinc/26/06/65/1080260665.db2.gz UGYMPKNJAFLIEI-GOSISDBHSA-N 0 3 412.556 0.858 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000465676676 1080260608 /nfs/dbraw/zinc/26/06/08/1080260608.db2.gz UGYMPKNJAFLIEI-SFHVURJKSA-N 0 3 412.556 0.858 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000465682504 1080262863 /nfs/dbraw/zinc/26/28/63/1080262863.db2.gz BGZXAGKXHDTMFR-FQEVSTJZSA-N 0 3 417.554 0.741 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000465682505 1080262763 /nfs/dbraw/zinc/26/27/63/1080262763.db2.gz BGZXAGKXHDTMFR-HXUWFJFHSA-N 0 3 417.554 0.741 20 0 HCADHN COc1cc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1OCC(N)=O ZINC000465684361 1080262816 /nfs/dbraw/zinc/26/28/16/1080262816.db2.gz OOJUXQUXXBPOQB-HNNXBMFYSA-N 0 3 407.515 0.242 20 0 HCADHN COc1cc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1OCC(N)=O ZINC000465684364 1080262723 /nfs/dbraw/zinc/26/27/23/1080262723.db2.gz OOJUXQUXXBPOQB-OAHLLOKOSA-N 0 3 407.515 0.242 20 0 HCADHN CCNC(=O)COc1cccc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000465686348 1080263260 /nfs/dbraw/zinc/26/32/60/1080263260.db2.gz LEYTXLKTFIWZJF-KRWDZBQOSA-N 0 3 405.543 0.884 20 0 HCADHN CCNC(=O)COc1cccc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000465686349 1080263375 /nfs/dbraw/zinc/26/33/75/1080263375.db2.gz LEYTXLKTFIWZJF-QGZVFWFLSA-N 0 3 405.543 0.884 20 0 HCADHN C[C@@H](CNC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)CN1CCN(C)CC1 ZINC000465694228 1080267109 /nfs/dbraw/zinc/26/71/09/1080267109.db2.gz XYPNMGVTHNBJIV-INIZCTEOSA-N 0 3 411.572 0.620 20 0 HCADHN C[C@H](CNC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)CN1CCN(C)CC1 ZINC000465694229 1080266913 /nfs/dbraw/zinc/26/69/13/1080266913.db2.gz XYPNMGVTHNBJIV-MRXNPFEDSA-N 0 3 411.572 0.620 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCC(=O)NCc2ccc(OC)cc2)CC1 ZINC000465713380 1080273709 /nfs/dbraw/zinc/27/37/09/1080273709.db2.gz CNGGUKZIZXRDGV-KRWDZBQOSA-N 0 3 405.543 0.884 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCC(=O)NCc2ccc(OC)cc2)CC1 ZINC000465713381 1080273871 /nfs/dbraw/zinc/27/38/71/1080273871.db2.gz CNGGUKZIZXRDGV-QGZVFWFLSA-N 0 3 405.543 0.884 20 0 HCADHN C[C@H](CNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1)CN1CCN(C)CC1 ZINC000465731714 1080289655 /nfs/dbraw/zinc/28/96/55/1080289655.db2.gz UBSXWBLYCYRGJI-GOSISDBHSA-N 0 3 417.554 0.842 20 0 HCADHN C[C@@H](CNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1)CN1CCN(C)CC1 ZINC000465731716 1080289575 /nfs/dbraw/zinc/28/95/75/1080289575.db2.gz UBSXWBLYCYRGJI-SFHVURJKSA-N 0 3 417.554 0.842 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000465751504 1080303416 /nfs/dbraw/zinc/30/34/16/1080303416.db2.gz KUQLYSQTTNKVCF-AZUAARDMSA-N 0 3 413.632 0.767 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000465751505 1080303555 /nfs/dbraw/zinc/30/35/55/1080303555.db2.gz KUQLYSQTTNKVCF-ICSRJNTNSA-N 0 3 413.632 0.767 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000465751506 1080303607 /nfs/dbraw/zinc/30/36/07/1080303607.db2.gz KUQLYSQTTNKVCF-QUCCMNQESA-N 0 3 413.632 0.767 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000465751507 1080303507 /nfs/dbraw/zinc/30/35/07/1080303507.db2.gz KUQLYSQTTNKVCF-UYAOXDASSA-N 0 3 413.632 0.767 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000465752909 1080304829 /nfs/dbraw/zinc/30/48/29/1080304829.db2.gz KBUAKYBHWLVPOT-AZUAARDMSA-N 0 3 417.554 0.912 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000465752911 1080305018 /nfs/dbraw/zinc/30/50/18/1080305018.db2.gz KBUAKYBHWLVPOT-ICSRJNTNSA-N 0 3 417.554 0.912 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000465752913 1080304924 /nfs/dbraw/zinc/30/49/24/1080304924.db2.gz KBUAKYBHWLVPOT-QUCCMNQESA-N 0 3 417.554 0.912 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000465752915 1080305171 /nfs/dbraw/zinc/30/51/71/1080305171.db2.gz KBUAKYBHWLVPOT-UYAOXDASSA-N 0 3 417.554 0.912 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000465754962 1080306373 /nfs/dbraw/zinc/30/63/73/1080306373.db2.gz MLJUKCPSVPTYJA-INIZCTEOSA-N 0 3 401.511 0.855 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000465754963 1080306514 /nfs/dbraw/zinc/30/65/14/1080306514.db2.gz MLJUKCPSVPTYJA-MRXNPFEDSA-N 0 3 401.511 0.855 20 0 HCADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000465757215 1080310603 /nfs/dbraw/zinc/31/06/03/1080310603.db2.gz NIMVBUCLDPDCJY-CVEARBPZSA-N 0 3 411.572 0.838 20 0 HCADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000465757216 1080310521 /nfs/dbraw/zinc/31/05/21/1080310521.db2.gz NIMVBUCLDPDCJY-HOTGVXAUSA-N 0 3 411.572 0.838 20 0 HCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000465757218 1080310562 /nfs/dbraw/zinc/31/05/62/1080310562.db2.gz NIMVBUCLDPDCJY-HZPDHXFCSA-N 0 3 411.572 0.838 20 0 HCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000465757220 1080311169 /nfs/dbraw/zinc/31/11/69/1080311169.db2.gz NIMVBUCLDPDCJY-JKSUJKDBSA-N 0 3 411.572 0.838 20 0 HCADHN CN(CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)Cc1ccccc1 ZINC000465758781 1080311028 /nfs/dbraw/zinc/31/10/28/1080311028.db2.gz QWPBLTXHAURDAV-UHFFFAOYSA-N 0 3 421.523 0.964 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000465765804 1080325295 /nfs/dbraw/zinc/32/52/95/1080325295.db2.gz VZBBPWOOQQJHOS-HKUYNNGSSA-N 0 3 400.589 0.947 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000465765805 1080325153 /nfs/dbraw/zinc/32/51/53/1080325153.db2.gz VZBBPWOOQQJHOS-IEBWSBKVSA-N 0 3 400.589 0.947 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000465765806 1080325021 /nfs/dbraw/zinc/32/50/21/1080325021.db2.gz VZBBPWOOQQJHOS-MJGOQNOKSA-N 0 3 400.589 0.947 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000465765807 1080325936 /nfs/dbraw/zinc/32/59/36/1080325936.db2.gz VZBBPWOOQQJHOS-PKOBYXMFSA-N 0 3 400.589 0.947 20 0 HCADHN C[C@@H](CNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000465791807 1080340876 /nfs/dbraw/zinc/34/08/76/1080340876.db2.gz ZUCFOIXPAHDJMQ-IBGZPJMESA-N 0 3 416.570 0.518 20 0 HCADHN C[C@H](CNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000465791810 1080340799 /nfs/dbraw/zinc/34/07/99/1080340799.db2.gz ZUCFOIXPAHDJMQ-LJQANCHMSA-N 0 3 416.570 0.518 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000465814213 1080351467 /nfs/dbraw/zinc/35/14/67/1080351467.db2.gz MBMQZVOSXWGEEU-IBGZPJMESA-N 0 3 405.543 0.688 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000465814214 1080351444 /nfs/dbraw/zinc/35/14/44/1080351444.db2.gz MBMQZVOSXWGEEU-LJQANCHMSA-N 0 3 405.543 0.688 20 0 HCADHN COc1cccc(N2C[C@H](NC(=O)NC[C@H](C)CN3CCN(C)CC3)CC2=O)c1 ZINC000465815922 1080352196 /nfs/dbraw/zinc/35/21/96/1080352196.db2.gz OLCQYEMHGYWLEU-DLBZAZTESA-N 0 3 403.527 0.983 20 0 HCADHN COc1cccc(N2C[C@H](NC(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2=O)c1 ZINC000465815929 1080352056 /nfs/dbraw/zinc/35/20/56/1080352056.db2.gz OLCQYEMHGYWLEU-IAGOWNOFSA-N 0 3 403.527 0.983 20 0 HCADHN COc1cccc(N2C[C@@H](NC(=O)NC[C@H](C)CN3CCN(C)CC3)CC2=O)c1 ZINC000465815931 1080352165 /nfs/dbraw/zinc/35/21/65/1080352165.db2.gz OLCQYEMHGYWLEU-IRXDYDNUSA-N 0 3 403.527 0.983 20 0 HCADHN COc1cccc(N2C[C@@H](NC(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2=O)c1 ZINC000465815933 1080351982 /nfs/dbraw/zinc/35/19/82/1080351982.db2.gz OLCQYEMHGYWLEU-SJORKVTESA-N 0 3 403.527 0.983 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000465825053 1080358751 /nfs/dbraw/zinc/35/87/51/1080358751.db2.gz AXLUJIORKURJLD-GDBMZVCRSA-N 0 3 407.540 0.873 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000465825054 1080358677 /nfs/dbraw/zinc/35/86/77/1080358677.db2.gz AXLUJIORKURJLD-GOEBONIOSA-N 0 3 407.540 0.873 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000465825055 1080358914 /nfs/dbraw/zinc/35/89/14/1080358914.db2.gz AXLUJIORKURJLD-HOCLYGCPSA-N 0 3 407.540 0.873 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000465825056 1080358849 /nfs/dbraw/zinc/35/88/49/1080358849.db2.gz AXLUJIORKURJLD-ZBFHGGJFSA-N 0 3 407.540 0.873 20 0 HCADHN Cc1cc(N2CC[C@@H](NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)C2=O)n(C)n1 ZINC000465827920 1080360773 /nfs/dbraw/zinc/36/07/73/1080360773.db2.gz BVUSZHINCAQEPZ-CVEARBPZSA-N 0 3 419.530 0.076 20 0 HCADHN Cc1cc(N2CC[C@H](NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)C2=O)n(C)n1 ZINC000465827921 1080361031 /nfs/dbraw/zinc/36/10/31/1080361031.db2.gz BVUSZHINCAQEPZ-HOTGVXAUSA-N 0 3 419.530 0.076 20 0 HCADHN Cc1cc(N2CC[C@@H](NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)C2=O)n(C)n1 ZINC000465827922 1080360945 /nfs/dbraw/zinc/36/09/45/1080360945.db2.gz BVUSZHINCAQEPZ-HZPDHXFCSA-N 0 3 419.530 0.076 20 0 HCADHN Cc1cc(N2CC[C@H](NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)C2=O)n(C)n1 ZINC000465827923 1080360698 /nfs/dbraw/zinc/36/06/98/1080360698.db2.gz BVUSZHINCAQEPZ-JKSUJKDBSA-N 0 3 419.530 0.076 20 0 HCADHN CCc1nsc(N2CCN(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC000465828601 1080360180 /nfs/dbraw/zinc/36/01/80/1080360180.db2.gz CEAANSVVSJBCGP-HNNXBMFYSA-N 0 3 423.587 0.875 20 0 HCADHN CCc1nsc(N2CCN(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000465828602 1080360155 /nfs/dbraw/zinc/36/01/55/1080360155.db2.gz CEAANSVVSJBCGP-OAHLLOKOSA-N 0 3 423.587 0.875 20 0 HCADHN Cc1nc(C)n(C[C@H]2CN(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CCO2)n1 ZINC000465832506 1080364062 /nfs/dbraw/zinc/36/40/62/1080364062.db2.gz KPZJOZDJWIILEX-MSOLQXFVSA-N 0 3 421.546 0.248 20 0 HCADHN Cc1nc(C)n(C[C@H]2CN(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CCO2)n1 ZINC000465832509 1080364105 /nfs/dbraw/zinc/36/41/05/1080364105.db2.gz KPZJOZDJWIILEX-QZTJIDSGSA-N 0 3 421.546 0.248 20 0 HCADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CCO2)n1 ZINC000465832511 1080364012 /nfs/dbraw/zinc/36/40/12/1080364012.db2.gz KPZJOZDJWIILEX-ROUUACIJSA-N 0 3 421.546 0.248 20 0 HCADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CCO2)n1 ZINC000465832513 1080364179 /nfs/dbraw/zinc/36/41/79/1080364179.db2.gz KPZJOZDJWIILEX-ZWKOTPCHSA-N 0 3 421.546 0.248 20 0 HCADHN CCN(CC)C(=O)CN1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465835271 1080364693 /nfs/dbraw/zinc/36/46/93/1080364693.db2.gz DXHZEBDARLFBKG-GOSISDBHSA-N 0 3 424.590 0.125 20 0 HCADHN CCN(CC)C(=O)CN1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465835272 1080365565 /nfs/dbraw/zinc/36/55/65/1080365565.db2.gz DXHZEBDARLFBKG-SFHVURJKSA-N 0 3 424.590 0.125 20 0 HCADHN C[C@@H](CNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)CN1CCN(C)CC1 ZINC000465836871 1080366263 /nfs/dbraw/zinc/36/62/63/1080366263.db2.gz NHQIXJRUJHYMIZ-BTYIYWSLSA-N 0 3 416.526 0.424 20 0 HCADHN C[C@H](CNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)CN1CCN(C)CC1 ZINC000465836874 1080366095 /nfs/dbraw/zinc/36/60/95/1080366095.db2.gz NHQIXJRUJHYMIZ-QVKFZJNVSA-N 0 3 416.526 0.424 20 0 HCADHN C[C@H](CNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)CN1CCN(C)CC1 ZINC000465836879 1080366128 /nfs/dbraw/zinc/36/61/28/1080366128.db2.gz NHQIXJRUJHYMIZ-VFNWGFHPSA-N 0 3 416.526 0.424 20 0 HCADHN C[C@@H](CNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)CN1CCN(C)CC1 ZINC000465836886 1080366248 /nfs/dbraw/zinc/36/62/48/1080366248.db2.gz NHQIXJRUJHYMIZ-YCRPNKLZSA-N 0 3 416.526 0.424 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000465838091 1080366167 /nfs/dbraw/zinc/36/61/67/1080366167.db2.gz ORDAQNBMAGMWCA-GPANFISMSA-N 0 3 402.561 0.584 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000465838093 1080366185 /nfs/dbraw/zinc/36/61/85/1080366185.db2.gz ORDAQNBMAGMWCA-UYSNPLJNSA-N 0 3 402.561 0.584 20 0 HCADHN C[C@@H](CNC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1)CN1CCN(C)CC1 ZINC000465839862 1080367498 /nfs/dbraw/zinc/36/74/98/1080367498.db2.gz QIJVTPQPIDMNLQ-KRWDZBQOSA-N 0 3 413.526 0.994 20 0 HCADHN C[C@H](CNC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1)CN1CCN(C)CC1 ZINC000465839864 1080367607 /nfs/dbraw/zinc/36/76/07/1080367607.db2.gz QIJVTPQPIDMNLQ-QGZVFWFLSA-N 0 3 413.526 0.994 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000465840885 1080368256 /nfs/dbraw/zinc/36/82/56/1080368256.db2.gz KEVRERCOEYRKBC-MOPGFXCFSA-N 0 3 409.575 0.825 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000465840887 1080367906 /nfs/dbraw/zinc/36/79/06/1080367906.db2.gz KEVRERCOEYRKBC-OALUTQOASA-N 0 3 409.575 0.825 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000465840889 1080368017 /nfs/dbraw/zinc/36/80/17/1080368017.db2.gz KEVRERCOEYRKBC-RBUKOAKNSA-N 0 3 409.575 0.825 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000465840891 1080368207 /nfs/dbraw/zinc/36/82/07/1080368207.db2.gz KEVRERCOEYRKBC-RTBURBONSA-N 0 3 409.575 0.825 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000465841883 1080368579 /nfs/dbraw/zinc/36/85/79/1080368579.db2.gz ILPQZTGYWGFHII-GOSISDBHSA-N 0 3 404.559 0.655 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000465841884 1080368521 /nfs/dbraw/zinc/36/85/21/1080368521.db2.gz ILPQZTGYWGFHII-SFHVURJKSA-N 0 3 404.559 0.655 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000465843306 1080368825 /nfs/dbraw/zinc/36/88/25/1080368825.db2.gz TWAOBRIXICBISH-AEFFLSMTSA-N 0 3 405.547 0.631 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000465843312 1080368780 /nfs/dbraw/zinc/36/87/80/1080368780.db2.gz TWAOBRIXICBISH-FUHWJXTLSA-N 0 3 405.547 0.631 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000465843313 1080368713 /nfs/dbraw/zinc/36/87/13/1080368713.db2.gz TWAOBRIXICBISH-SJLPKXTDSA-N 0 3 405.547 0.631 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000465843314 1080368669 /nfs/dbraw/zinc/36/86/69/1080368669.db2.gz TWAOBRIXICBISH-WMZOPIPTSA-N 0 3 405.547 0.631 20 0 HCADHN CN(CCNC(=O)C1CCN(C(=O)NCCn2cncn2)CC1)Cc1ccccc1 ZINC000465845934 1080370919 /nfs/dbraw/zinc/37/09/19/1080370919.db2.gz PSNGMRFZLUSJKM-UHFFFAOYSA-N 0 3 413.526 0.948 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000465846325 1080372083 /nfs/dbraw/zinc/37/20/83/1080372083.db2.gz OIDOHQINVBIPBF-KRWDZBQOSA-N 0 3 405.499 0.293 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000465846337 1080371865 /nfs/dbraw/zinc/37/18/65/1080371865.db2.gz OIDOHQINVBIPBF-QGZVFWFLSA-N 0 3 405.499 0.293 20 0 HCADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000465848251 1080371998 /nfs/dbraw/zinc/37/19/98/1080371998.db2.gz YHIFJTULVOWLNW-CVEARBPZSA-N 0 3 411.572 0.838 20 0 HCADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000465848255 1080371832 /nfs/dbraw/zinc/37/18/32/1080371832.db2.gz YHIFJTULVOWLNW-HOTGVXAUSA-N 0 3 411.572 0.838 20 0 HCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000465848261 1080372023 /nfs/dbraw/zinc/37/20/23/1080372023.db2.gz YHIFJTULVOWLNW-HZPDHXFCSA-N 0 3 411.572 0.838 20 0 HCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000465848265 1080372154 /nfs/dbraw/zinc/37/21/54/1080372154.db2.gz YHIFJTULVOWLNW-JKSUJKDBSA-N 0 3 411.572 0.838 20 0 HCADHN C[C@@H](CNC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000465873935 1080457826 /nfs/dbraw/zinc/45/78/26/1080457826.db2.gz WZEJSTDZXGAGAS-INIZCTEOSA-N 0 3 412.556 0.652 20 0 HCADHN C[C@H](CNC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000465873936 1080457941 /nfs/dbraw/zinc/45/79/41/1080457941.db2.gz WZEJSTDZXGAGAS-MRXNPFEDSA-N 0 3 412.556 0.652 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000465880179 1080464934 /nfs/dbraw/zinc/46/49/34/1080464934.db2.gz WCAFHTAVYXXUSE-INIZCTEOSA-N 0 3 403.593 0.279 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000465880180 1080465162 /nfs/dbraw/zinc/46/51/62/1080465162.db2.gz WCAFHTAVYXXUSE-MRXNPFEDSA-N 0 3 403.593 0.279 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000465882859 1080468435 /nfs/dbraw/zinc/46/84/35/1080468435.db2.gz XTHJCHHWGILOKS-GOSISDBHSA-N 0 3 405.543 0.597 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000465882860 1080468550 /nfs/dbraw/zinc/46/85/50/1080468550.db2.gz XTHJCHHWGILOKS-SFHVURJKSA-N 0 3 405.543 0.597 20 0 HCADHN CC[C@@H](NC(=O)NC[C@@H](C)CN1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885444 1080479272 /nfs/dbraw/zinc/47/92/72/1080479272.db2.gz CUEYYAKEUQJWSP-CRAIPNDOSA-N 0 3 411.572 0.968 20 0 HCADHN CC[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885448 1080479563 /nfs/dbraw/zinc/47/95/63/1080479563.db2.gz CUEYYAKEUQJWSP-MAUKXSAKSA-N 0 3 411.572 0.968 20 0 HCADHN CC[C@H](NC(=O)NC[C@@H](C)CN1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885449 1080479318 /nfs/dbraw/zinc/47/93/18/1080479318.db2.gz CUEYYAKEUQJWSP-QAPCUYQASA-N 0 3 411.572 0.968 20 0 HCADHN CC[C@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885450 1080479358 /nfs/dbraw/zinc/47/93/58/1080479358.db2.gz CUEYYAKEUQJWSP-YJBOKZPZSA-N 0 3 411.572 0.968 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000465900019 1080502586 /nfs/dbraw/zinc/50/25/86/1080502586.db2.gz ZZWZFKZUXYGLSQ-DLBZAZTESA-N 0 3 420.576 0.227 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000465900023 1080503272 /nfs/dbraw/zinc/50/32/72/1080503272.db2.gz ZZWZFKZUXYGLSQ-IAGOWNOFSA-N 0 3 420.576 0.227 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000465900025 1080502885 /nfs/dbraw/zinc/50/28/85/1080502885.db2.gz ZZWZFKZUXYGLSQ-IRXDYDNUSA-N 0 3 420.576 0.227 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000465900027 1080503057 /nfs/dbraw/zinc/50/30/57/1080503057.db2.gz ZZWZFKZUXYGLSQ-SJORKVTESA-N 0 3 420.576 0.227 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000465912396 1080518381 /nfs/dbraw/zinc/51/83/81/1080518381.db2.gz RHSAHSYGBBPULQ-HNNXBMFYSA-N 0 3 408.590 0.117 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000465912397 1080518060 /nfs/dbraw/zinc/51/80/60/1080518060.db2.gz RHSAHSYGBBPULQ-OAHLLOKOSA-N 0 3 408.590 0.117 20 0 HCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000465918103 1080529121 /nfs/dbraw/zinc/52/91/21/1080529121.db2.gz GQZAVBBKMPVPAF-KRWDZBQOSA-N 0 3 408.524 0.455 20 0 HCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000465918104 1080529067 /nfs/dbraw/zinc/52/90/67/1080529067.db2.gz GQZAVBBKMPVPAF-QGZVFWFLSA-N 0 3 408.524 0.455 20 0 HCADHN Cn1cc(N2CCC[C@@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2)cn1 ZINC000465922363 1080540123 /nfs/dbraw/zinc/54/01/23/1080540123.db2.gz HXLRYRRCNLWQSM-GOSISDBHSA-N 0 3 407.563 0.078 20 0 HCADHN Cn1cc(N2CCC[C@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2)cn1 ZINC000465922364 1080540239 /nfs/dbraw/zinc/54/02/39/1080540239.db2.gz HXLRYRRCNLWQSM-SFHVURJKSA-N 0 3 407.563 0.078 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCCC[C@H]1CN1CCOCC1 ZINC000465927178 1080541109 /nfs/dbraw/zinc/54/11/09/1080541109.db2.gz GCNCMAZJACMMGL-FQEVSTJZSA-N 0 3 411.591 0.273 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000465927182 1080541051 /nfs/dbraw/zinc/54/10/51/1080541051.db2.gz GCNCMAZJACMMGL-HXUWFJFHSA-N 0 3 411.591 0.273 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000465928291 1080542117 /nfs/dbraw/zinc/54/21/17/1080542117.db2.gz KJPASSYEGGXGNV-KRWDZBQOSA-N 0 3 409.556 0.321 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000465928292 1080542282 /nfs/dbraw/zinc/54/22/82/1080542282.db2.gz KJPASSYEGGXGNV-QGZVFWFLSA-N 0 3 409.556 0.321 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000465929183 1080545498 /nfs/dbraw/zinc/54/54/98/1080545498.db2.gz LFJIPUBOXAAWLW-FQEVSTJZSA-N 0 3 417.554 0.741 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000465929184 1080545551 /nfs/dbraw/zinc/54/55/51/1080545551.db2.gz LFJIPUBOXAAWLW-HXUWFJFHSA-N 0 3 417.554 0.741 20 0 HCADHN CCc1cnc(N2CCN(C(=O)NCCCCN3CCN(CCO)CC3)CC2)s1 ZINC000465934956 1080551806 /nfs/dbraw/zinc/55/18/06/1080551806.db2.gz OSBQYWUQFQYWSS-UHFFFAOYSA-N 0 3 424.615 0.927 20 0 HCADHN C[C@H]1C[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000465936651 1080553123 /nfs/dbraw/zinc/55/31/23/1080553123.db2.gz ZWQOMOGZNKSRIK-AZUAARDMSA-N 0 3 417.554 0.870 20 0 HCADHN C[C@H]1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000465936653 1080552239 /nfs/dbraw/zinc/55/22/39/1080552239.db2.gz ZWQOMOGZNKSRIK-ICSRJNTNSA-N 0 3 417.554 0.870 20 0 HCADHN C[C@@H]1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000465936655 1080552319 /nfs/dbraw/zinc/55/23/19/1080552319.db2.gz ZWQOMOGZNKSRIK-QUCCMNQESA-N 0 3 417.554 0.870 20 0 HCADHN C[C@@H]1C[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000465936657 1080552944 /nfs/dbraw/zinc/55/29/44/1080552944.db2.gz ZWQOMOGZNKSRIK-UYAOXDASSA-N 0 3 417.554 0.870 20 0 HCADHN CN(C(=O)NCCCCN1CCN(CCO)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000465943040 1080565078 /nfs/dbraw/zinc/56/50/78/1080565078.db2.gz ZAXHTSVOJLGIFZ-FQEVSTJZSA-N 0 3 417.554 0.823 20 0 HCADHN CN(C(=O)NCCCCN1CCN(CCO)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000465943041 1080564933 /nfs/dbraw/zinc/56/49/33/1080564933.db2.gz ZAXHTSVOJLGIFZ-HXUWFJFHSA-N 0 3 417.554 0.823 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000465952984 1080578431 /nfs/dbraw/zinc/57/84/31/1080578431.db2.gz PQQLGNASFCJXSA-IBGZPJMESA-N 0 3 409.575 0.683 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000465952985 1080578729 /nfs/dbraw/zinc/57/87/29/1080578729.db2.gz PQQLGNASFCJXSA-LJQANCHMSA-N 0 3 409.575 0.683 20 0 HCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H](N4CC=CC4)C3)CC2)cn1 ZINC000465962651 1080594506 /nfs/dbraw/zinc/59/45/06/1080594506.db2.gz SUPHFGHXGPSCJC-INIZCTEOSA-N 0 3 408.528 0.229 20 0 HCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H](N4CC=CC4)C3)CC2)cn1 ZINC000465962665 1080594823 /nfs/dbraw/zinc/59/48/23/1080594823.db2.gz SUPHFGHXGPSCJC-MRXNPFEDSA-N 0 3 408.528 0.229 20 0 HCADHN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000465965938 1080594780 /nfs/dbraw/zinc/59/47/80/1080594780.db2.gz GIZCLHLCMJWEBG-AZUAARDMSA-N 0 3 416.570 0.836 20 0 HCADHN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000465965939 1080594441 /nfs/dbraw/zinc/59/44/41/1080594441.db2.gz GIZCLHLCMJWEBG-ICSRJNTNSA-N 0 3 416.570 0.836 20 0 HCADHN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000465965940 1080594277 /nfs/dbraw/zinc/59/42/77/1080594277.db2.gz GIZCLHLCMJWEBG-QUCCMNQESA-N 0 3 416.570 0.836 20 0 HCADHN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000465965941 1080594710 /nfs/dbraw/zinc/59/47/10/1080594710.db2.gz GIZCLHLCMJWEBG-UYAOXDASSA-N 0 3 416.570 0.836 20 0 HCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000465974287 1080607845 /nfs/dbraw/zinc/60/78/45/1080607845.db2.gz AHBRXXNZDJTHCE-KRWDZBQOSA-N 0 3 408.524 0.767 20 0 HCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000465974288 1080607750 /nfs/dbraw/zinc/60/77/50/1080607750.db2.gz AHBRXXNZDJTHCE-QGZVFWFLSA-N 0 3 408.524 0.767 20 0 HCADHN C[C@@H](CNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1)CN1CCN(C)CC1 ZINC000465974518 1080617826 /nfs/dbraw/zinc/61/78/26/1080617826.db2.gz BGCFPTKXALAKJF-PMACEKPBSA-N 0 3 417.602 0.775 20 0 HCADHN C[C@H](CNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1)CN1CCN(C)CC1 ZINC000465974519 1080618016 /nfs/dbraw/zinc/61/80/16/1080618016.db2.gz BGCFPTKXALAKJF-UXHICEINSA-N 0 3 417.602 0.775 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000465974520 1080617763 /nfs/dbraw/zinc/61/77/63/1080617763.db2.gz BGCFPTKXALAKJF-VQTJNVASSA-N 0 3 417.602 0.775 20 0 HCADHN C[C@H](CNC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1)CN1CCN(C)CC1 ZINC000465974521 1080617986 /nfs/dbraw/zinc/61/79/86/1080617986.db2.gz BGCFPTKXALAKJF-WOJBJXKFSA-N 0 3 417.602 0.775 20 0 HCADHN CN(CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1)Cc1ccccc1 ZINC000465975239 1080609833 /nfs/dbraw/zinc/60/98/33/1080609833.db2.gz AVPNPGSDQXXYCA-IBGZPJMESA-N 0 3 415.538 0.887 20 0 HCADHN CN(CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1)Cc1ccccc1 ZINC000465975241 1080609982 /nfs/dbraw/zinc/60/99/82/1080609982.db2.gz AVPNPGSDQXXYCA-LJQANCHMSA-N 0 3 415.538 0.887 20 0 HCADHN COc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000466014448 1080807577 /nfs/dbraw/zinc/80/75/77/1080807577.db2.gz HNSLXILELIZWNO-FXAWDEMLSA-N 0 3 417.554 0.979 20 0 HCADHN COc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000466014449 1080807465 /nfs/dbraw/zinc/80/74/65/1080807465.db2.gz HNSLXILELIZWNO-PXNSSMCTSA-N 0 3 417.554 0.979 20 0 HCADHN COc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000466014450 1080807502 /nfs/dbraw/zinc/80/75/02/1080807502.db2.gz HNSLXILELIZWNO-XLIONFOSSA-N 0 3 417.554 0.979 20 0 HCADHN COc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000466014451 1080813282 /nfs/dbraw/zinc/81/32/82/1080813282.db2.gz HNSLXILELIZWNO-YLJYHZDGSA-N 0 3 417.554 0.979 20 0 HCADHN C[C@H](CNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1)CN1CCN(C)CC1 ZINC000466031726 1080830523 /nfs/dbraw/zinc/83/05/23/1080830523.db2.gz OKTYARVTZNRVMC-MOPGFXCFSA-N 0 3 417.554 0.849 20 0 HCADHN C[C@@H](CNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1)CN1CCN(C)CC1 ZINC000466031727 1080830480 /nfs/dbraw/zinc/83/04/80/1080830480.db2.gz OKTYARVTZNRVMC-OALUTQOASA-N 0 3 417.554 0.849 20 0 HCADHN C[C@@H](CNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)CN1CCN(C)CC1 ZINC000466031728 1080830504 /nfs/dbraw/zinc/83/05/04/1080830504.db2.gz OKTYARVTZNRVMC-RBUKOAKNSA-N 0 3 417.554 0.849 20 0 HCADHN C[C@H](CNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)CN1CCN(C)CC1 ZINC000466031729 1080830375 /nfs/dbraw/zinc/83/03/75/1080830375.db2.gz OKTYARVTZNRVMC-RTBURBONSA-N 0 3 417.554 0.849 20 0 HCADHN Cn1cc(N2CCC[C@H](NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)cn1 ZINC000466039878 1080837236 /nfs/dbraw/zinc/83/72/36/1080837236.db2.gz TTYNAFIDNSRMBY-KRWDZBQOSA-N 0 3 403.531 0.339 20 0 HCADHN Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)cn1 ZINC000466039879 1080837174 /nfs/dbraw/zinc/83/71/74/1080837174.db2.gz TTYNAFIDNSRMBY-QGZVFWFLSA-N 0 3 403.531 0.339 20 0 HCADHN CN(C)C(=O)c1cccc(CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000466056945 1080856082 /nfs/dbraw/zinc/85/60/82/1080856082.db2.gz QRUQYGXGSIBIMD-UHFFFAOYSA-N 0 3 415.538 0.881 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000466071270 1080868928 /nfs/dbraw/zinc/86/89/28/1080868928.db2.gz BHLVEHFEBMZELC-UHFFFAOYSA-N 0 3 402.561 0.538 20 0 HCADHN CS(=O)(=O)C1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000466083629 1080875898 /nfs/dbraw/zinc/87/58/98/1080875898.db2.gz XYABJXMJGGVASX-UHFFFAOYSA-N 0 3 400.545 0.292 20 0 HCADHN C[C@@H](CNC(=O)NCCCN1C(=O)COc2ccccc21)CN1CCN(C)CC1 ZINC000466087638 1080877527 /nfs/dbraw/zinc/87/75/27/1080877527.db2.gz RPQZTUZDXUGMLN-KRWDZBQOSA-N 0 3 403.527 0.985 20 0 HCADHN C[C@H](CNC(=O)NCCCN1C(=O)COc2ccccc21)CN1CCN(C)CC1 ZINC000466087639 1080877492 /nfs/dbraw/zinc/87/74/92/1080877492.db2.gz RPQZTUZDXUGMLN-QGZVFWFLSA-N 0 3 403.527 0.985 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000466090405 1080878752 /nfs/dbraw/zinc/87/87/52/1080878752.db2.gz XMSIRKPBDRPIJW-KRWDZBQOSA-N 0 3 405.547 0.585 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000466090406 1080878719 /nfs/dbraw/zinc/87/87/19/1080878719.db2.gz XMSIRKPBDRPIJW-QGZVFWFLSA-N 0 3 405.547 0.585 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000466109328 1080892474 /nfs/dbraw/zinc/89/24/74/1080892474.db2.gz LVBILMYTSVYQDH-GOSISDBHSA-N 0 3 409.575 0.540 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000466109334 1080892432 /nfs/dbraw/zinc/89/24/32/1080892432.db2.gz LVBILMYTSVYQDH-SFHVURJKSA-N 0 3 409.575 0.540 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000466109857 1080893114 /nfs/dbraw/zinc/89/31/14/1080893114.db2.gz OMJGDMMULLCBGE-MSOLQXFVSA-N 0 3 417.620 0.763 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000466109858 1080892972 /nfs/dbraw/zinc/89/29/72/1080892972.db2.gz OMJGDMMULLCBGE-QZTJIDSGSA-N 0 3 417.620 0.763 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000466109859 1080893060 /nfs/dbraw/zinc/89/30/60/1080893060.db2.gz OMJGDMMULLCBGE-ROUUACIJSA-N 0 3 417.620 0.763 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000466109860 1080892999 /nfs/dbraw/zinc/89/29/99/1080892999.db2.gz OMJGDMMULLCBGE-ZWKOTPCHSA-N 0 3 417.620 0.763 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(C(=O)NCCCOC)CC2)CC1 ZINC000466110528 1080892755 /nfs/dbraw/zinc/89/27/55/1080892755.db2.gz QXBZBIGBQMNYAC-GOSISDBHSA-N 0 3 411.591 0.834 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(C(=O)NCCCOC)CC2)CC1 ZINC000466110639 1080893390 /nfs/dbraw/zinc/89/33/90/1080893390.db2.gz QXBZBIGBQMNYAC-SFHVURJKSA-N 0 3 411.591 0.834 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000466110697 1080894292 /nfs/dbraw/zinc/89/42/92/1080894292.db2.gz RSQZKQINVMKFJC-DLBZAZTESA-N 0 3 422.526 0.728 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000466110698 1080894376 /nfs/dbraw/zinc/89/43/76/1080894376.db2.gz RSQZKQINVMKFJC-IAGOWNOFSA-N 0 3 422.526 0.728 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000466110699 1080894345 /nfs/dbraw/zinc/89/43/45/1080894345.db2.gz RSQZKQINVMKFJC-IRXDYDNUSA-N 0 3 422.526 0.728 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000466110700 1080894323 /nfs/dbraw/zinc/89/43/23/1080894323.db2.gz RSQZKQINVMKFJC-SJORKVTESA-N 0 3 422.526 0.728 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000466110819 1080894350 /nfs/dbraw/zinc/89/43/50/1080894350.db2.gz SZPWLZXKLXXKQN-KRWDZBQOSA-N 0 3 405.547 0.590 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000466110820 1080894316 /nfs/dbraw/zinc/89/43/16/1080894316.db2.gz SZPWLZXKLXXKQN-QGZVFWFLSA-N 0 3 405.547 0.590 20 0 HCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000466111372 1080893613 /nfs/dbraw/zinc/89/36/13/1080893613.db2.gz AKSYPWJULQHTOC-MOPGFXCFSA-N 0 3 410.607 0.502 20 0 HCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000466111373 1080894009 /nfs/dbraw/zinc/89/40/09/1080894009.db2.gz AKSYPWJULQHTOC-OALUTQOASA-N 0 3 410.607 0.502 20 0 HCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000466111374 1080893984 /nfs/dbraw/zinc/89/39/84/1080893984.db2.gz AKSYPWJULQHTOC-RBUKOAKNSA-N 0 3 410.607 0.502 20 0 HCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000466111375 1080894111 /nfs/dbraw/zinc/89/41/11/1080894111.db2.gz AKSYPWJULQHTOC-RTBURBONSA-N 0 3 410.607 0.502 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000466112142 1080894652 /nfs/dbraw/zinc/89/46/52/1080894652.db2.gz JPKRVVKRMWJOJE-DOTOQJQBSA-N 0 3 405.547 0.407 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000466112143 1080894700 /nfs/dbraw/zinc/89/47/00/1080894700.db2.gz JPKRVVKRMWJOJE-NVXWUHKLSA-N 0 3 405.547 0.407 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000466112144 1080894721 /nfs/dbraw/zinc/89/47/21/1080894721.db2.gz JPKRVVKRMWJOJE-RDJZCZTQSA-N 0 3 405.547 0.407 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000466112145 1080894642 /nfs/dbraw/zinc/89/46/42/1080894642.db2.gz JPKRVVKRMWJOJE-WBVHZDCISA-N 0 3 405.547 0.407 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000466112306 1080894665 /nfs/dbraw/zinc/89/46/65/1080894665.db2.gz LIHQRWNIOSTQBY-GOSISDBHSA-N 0 3 416.570 0.891 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000466112307 1080894572 /nfs/dbraw/zinc/89/45/72/1080894572.db2.gz LIHQRWNIOSTQBY-SFHVURJKSA-N 0 3 416.570 0.891 20 0 HCADHN CCCS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000466113598 1080895056 /nfs/dbraw/zinc/89/50/56/1080895056.db2.gz TUJVINWQNOBVFA-KRWDZBQOSA-N 0 3 417.620 0.763 20 0 HCADHN CCCS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000466113599 1080895011 /nfs/dbraw/zinc/89/50/11/1080895011.db2.gz TUJVINWQNOBVFA-QGZVFWFLSA-N 0 3 417.620 0.763 20 0 HCADHN CCN(C1CCN(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1)S(C)(=O)=O ZINC000466114706 1080895698 /nfs/dbraw/zinc/89/56/98/1080895698.db2.gz XOBQSHICQPUCAB-KRWDZBQOSA-N 0 3 417.620 0.716 20 0 HCADHN CCN(C1CCN(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1)S(C)(=O)=O ZINC000466114707 1080895587 /nfs/dbraw/zinc/89/55/87/1080895587.db2.gz XOBQSHICQPUCAB-QGZVFWFLSA-N 0 3 417.620 0.716 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000466114802 1080895300 /nfs/dbraw/zinc/89/53/00/1080895300.db2.gz JKBIVUJBTBQDRP-FQEVSTJZSA-N 0 3 422.618 0.600 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000466114806 1080895268 /nfs/dbraw/zinc/89/52/68/1080895268.db2.gz JKBIVUJBTBQDRP-HXUWFJFHSA-N 0 3 422.618 0.600 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC000466115507 1080895646 /nfs/dbraw/zinc/89/56/46/1080895646.db2.gz YSJFEDPMXJHMMM-INIZCTEOSA-N 0 3 403.593 0.373 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC000466115524 1080895682 /nfs/dbraw/zinc/89/56/82/1080895682.db2.gz YSJFEDPMXJHMMM-MRXNPFEDSA-N 0 3 403.593 0.373 20 0 HCADHN CCN(CC)C(=O)CN1CCN(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000466117596 1080897520 /nfs/dbraw/zinc/89/75/20/1080897520.db2.gz QQEFBTBHTQGYOJ-IBGZPJMESA-N 0 3 410.607 0.456 20 0 HCADHN CCN(CC)C(=O)CN1CCN(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000466117598 1080897572 /nfs/dbraw/zinc/89/75/72/1080897572.db2.gz QQEFBTBHTQGYOJ-LJQANCHMSA-N 0 3 410.607 0.456 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000466120222 1080907864 /nfs/dbraw/zinc/90/78/64/1080907864.db2.gz YEZSKXKUBXTSQX-GOSISDBHSA-N 0 3 402.543 0.823 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000466120224 1080908148 /nfs/dbraw/zinc/90/81/48/1080908148.db2.gz YEZSKXKUBXTSQX-SFHVURJKSA-N 0 3 402.543 0.823 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000466126057 1080916018 /nfs/dbraw/zinc/91/60/18/1080916018.db2.gz BMKOHEHOEJURDT-INIZCTEOSA-N 0 3 403.593 0.325 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000466126058 1080915523 /nfs/dbraw/zinc/91/55/23/1080915523.db2.gz BMKOHEHOEJURDT-MRXNPFEDSA-N 0 3 403.593 0.325 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127805 1080921330 /nfs/dbraw/zinc/92/13/30/1080921330.db2.gz FFEITJHIZDVJHH-DLBZAZTESA-N 0 3 403.593 0.231 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127807 1080921213 /nfs/dbraw/zinc/92/12/13/1080921213.db2.gz FFEITJHIZDVJHH-IAGOWNOFSA-N 0 3 403.593 0.231 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127808 1080921434 /nfs/dbraw/zinc/92/14/34/1080921434.db2.gz FFEITJHIZDVJHH-IRXDYDNUSA-N 0 3 403.593 0.231 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127810 1080921071 /nfs/dbraw/zinc/92/10/71/1080921071.db2.gz FFEITJHIZDVJHH-SJORKVTESA-N 0 3 403.593 0.231 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)CN1CCN(C)CC1 ZINC000466128131 1080921880 /nfs/dbraw/zinc/92/18/80/1080921880.db2.gz DBMIINYQBDANBH-KRWDZBQOSA-N 0 3 402.543 0.501 20 0 HCADHN C[C@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)CN1CCN(C)CC1 ZINC000466128132 1080921595 /nfs/dbraw/zinc/92/15/95/1080921595.db2.gz DBMIINYQBDANBH-QGZVFWFLSA-N 0 3 402.543 0.501 20 0 HCADHN COc1ccc(C[C@H](CO)CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1O ZINC000466128887 1080922773 /nfs/dbraw/zinc/92/27/73/1080922773.db2.gz FISSBSCDMTWKKQ-AEFFLSMTSA-N 0 3 408.543 0.735 20 0 HCADHN COc1ccc(C[C@@H](CO)CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1O ZINC000466128923 1080917861 /nfs/dbraw/zinc/91/78/61/1080917861.db2.gz FISSBSCDMTWKKQ-FUHWJXTLSA-N 0 3 408.543 0.735 20 0 HCADHN COc1ccc(C[C@@H](CO)CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1O ZINC000466128924 1080917635 /nfs/dbraw/zinc/91/76/35/1080917635.db2.gz FISSBSCDMTWKKQ-SJLPKXTDSA-N 0 3 408.543 0.735 20 0 HCADHN COc1ccc(C[C@H](CO)CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1O ZINC000466128925 1080918522 /nfs/dbraw/zinc/91/85/22/1080918522.db2.gz FISSBSCDMTWKKQ-WMZOPIPTSA-N 0 3 408.543 0.735 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129245 1080921781 /nfs/dbraw/zinc/92/17/81/1080921781.db2.gz GDEHHCVYSPVSMB-MOPGFXCFSA-N 0 3 409.575 0.540 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129248 1080921688 /nfs/dbraw/zinc/92/16/88/1080921688.db2.gz GDEHHCVYSPVSMB-OALUTQOASA-N 0 3 409.575 0.540 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129252 1080921265 /nfs/dbraw/zinc/92/12/65/1080921265.db2.gz GDEHHCVYSPVSMB-RBUKOAKNSA-N 0 3 409.575 0.540 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129255 1080921513 /nfs/dbraw/zinc/92/15/13/1080921513.db2.gz GDEHHCVYSPVSMB-RTBURBONSA-N 0 3 409.575 0.540 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000466129358 1080922605 /nfs/dbraw/zinc/92/26/05/1080922605.db2.gz GMARGIDVLFAIIU-IBGZPJMESA-N 0 3 408.591 0.210 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000466129359 1080922428 /nfs/dbraw/zinc/92/24/28/1080922428.db2.gz GMARGIDVLFAIIU-LJQANCHMSA-N 0 3 408.591 0.210 20 0 HCADHN C[C@@H](CNC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)CN1CCN(C)CC1 ZINC000466129798 1080919515 /nfs/dbraw/zinc/91/95/15/1080919515.db2.gz IZGSNRUJMVKTOL-KRWDZBQOSA-N 0 3 419.574 0.455 20 0 HCADHN C[C@H](CNC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)CN1CCN(C)CC1 ZINC000466129800 1080919191 /nfs/dbraw/zinc/91/91/91/1080919191.db2.gz IZGSNRUJMVKTOL-QGZVFWFLSA-N 0 3 419.574 0.455 20 0 HCADHN CCOCCCNC(=O)C1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000466130328 1080918836 /nfs/dbraw/zinc/91/88/36/1080918836.db2.gz INONCPWSVVCAGB-GOSISDBHSA-N 0 3 411.591 0.834 20 0 HCADHN CCOCCCNC(=O)C1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000466130330 1080918357 /nfs/dbraw/zinc/91/83/57/1080918357.db2.gz INONCPWSVVCAGB-SFHVURJKSA-N 0 3 411.591 0.834 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)CN1CCN(C)CC1 ZINC000466131048 1080923521 /nfs/dbraw/zinc/92/35/21/1080923521.db2.gz JMEZFKPEOMTMTR-IBGZPJMESA-N 0 3 408.591 0.210 20 0 HCADHN C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)CN1CCN(C)CC1 ZINC000466131049 1080923301 /nfs/dbraw/zinc/92/33/01/1080923301.db2.gz JMEZFKPEOMTMTR-LJQANCHMSA-N 0 3 408.591 0.210 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)CN1CCN(C)CC1 ZINC000466131366 1080919566 /nfs/dbraw/zinc/91/95/66/1080919566.db2.gz AIHCNHCFFDWFBM-KRWDZBQOSA-N 0 3 403.527 0.743 20 0 HCADHN C[C@H](CNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)CN1CCN(C)CC1 ZINC000466131367 1080919762 /nfs/dbraw/zinc/91/97/62/1080919762.db2.gz AIHCNHCFFDWFBM-QGZVFWFLSA-N 0 3 403.527 0.743 20 0 HCADHN CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000466131386 1080920567 /nfs/dbraw/zinc/92/05/67/1080920567.db2.gz ALPFEXGXKWTZPJ-IBGZPJMESA-N 0 3 410.607 0.456 20 0 HCADHN CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000466131387 1080920728 /nfs/dbraw/zinc/92/07/28/1080920728.db2.gz ALPFEXGXKWTZPJ-LJQANCHMSA-N 0 3 410.607 0.456 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131414 1080923182 /nfs/dbraw/zinc/92/31/82/1080923182.db2.gz ATJVTFZGCSPSFZ-MSOLQXFVSA-N 0 3 408.591 0.254 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131434 1080919685 /nfs/dbraw/zinc/91/96/85/1080919685.db2.gz ATJVTFZGCSPSFZ-QZTJIDSGSA-N 0 3 408.591 0.254 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131436 1080919463 /nfs/dbraw/zinc/91/94/63/1080919463.db2.gz ATJVTFZGCSPSFZ-ROUUACIJSA-N 0 3 408.591 0.254 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131438 1080919290 /nfs/dbraw/zinc/91/92/90/1080919290.db2.gz ATJVTFZGCSPSFZ-ZWKOTPCHSA-N 0 3 408.591 0.254 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)CN1CCN(C)CC1 ZINC000466131611 1080925808 /nfs/dbraw/zinc/92/58/08/1080925808.db2.gz MIWWFPNWVUEKPM-PMACEKPBSA-N 0 3 422.618 0.598 20 0 HCADHN C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)CN1CCN(C)CC1 ZINC000466131612 1080925564 /nfs/dbraw/zinc/92/55/64/1080925564.db2.gz MIWWFPNWVUEKPM-UXHICEINSA-N 0 3 422.618 0.598 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)CN1CCN(C)CC1 ZINC000466131613 1080925130 /nfs/dbraw/zinc/92/51/30/1080925130.db2.gz MIWWFPNWVUEKPM-VQTJNVASSA-N 0 3 422.618 0.598 20 0 HCADHN C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)CN1CCN(C)CC1 ZINC000466131614 1080924954 /nfs/dbraw/zinc/92/49/54/1080924954.db2.gz MIWWFPNWVUEKPM-WOJBJXKFSA-N 0 3 422.618 0.598 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000466131778 1080924560 /nfs/dbraw/zinc/92/45/60/1080924560.db2.gz BAZQTFSGNZHJFP-CEXWTWQISA-N 0 3 411.591 0.833 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000466131779 1080924305 /nfs/dbraw/zinc/92/43/05/1080924305.db2.gz BAZQTFSGNZHJFP-GUDVDZBRSA-N 0 3 411.591 0.833 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000466131780 1080924998 /nfs/dbraw/zinc/92/49/98/1080924998.db2.gz BAZQTFSGNZHJFP-QRVBRYPASA-N 0 3 411.591 0.833 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000466131781 1080925665 /nfs/dbraw/zinc/92/56/65/1080925665.db2.gz BAZQTFSGNZHJFP-QYZOEREBSA-N 0 3 411.591 0.833 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131836 1080925611 /nfs/dbraw/zinc/92/56/11/1080925611.db2.gz KJXGXKINYQQHGU-APWZRJJASA-N 0 3 407.563 0.579 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131837 1080924904 /nfs/dbraw/zinc/92/49/04/1080924904.db2.gz KJXGXKINYQQHGU-LPHOPBHVSA-N 0 3 407.563 0.579 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131838 1080925761 /nfs/dbraw/zinc/92/57/61/1080925761.db2.gz KJXGXKINYQQHGU-QFBILLFUSA-N 0 3 407.563 0.579 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131839 1080925431 /nfs/dbraw/zinc/92/54/31/1080925431.db2.gz KJXGXKINYQQHGU-VQIMIIECSA-N 0 3 407.563 0.579 20 0 HCADHN C[C@@H](CNC(=O)N1CCC(C(=O)Nc2nncs2)CC1)CN1CCN(C)CC1 ZINC000466132156 1080924480 /nfs/dbraw/zinc/92/44/80/1080924480.db2.gz BQQHOAXYHFNQCO-AWEZNQCLSA-N 0 3 409.560 0.782 20 0 HCADHN C[C@H](CNC(=O)N1CCC(C(=O)Nc2nncs2)CC1)CN1CCN(C)CC1 ZINC000466132157 1080924021 /nfs/dbraw/zinc/92/40/21/1080924021.db2.gz BQQHOAXYHFNQCO-CQSZACIVSA-N 0 3 409.560 0.782 20 0 HCADHN C[C@@H](CNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)CN1CCN(C)CC1 ZINC000466132722 1080926380 /nfs/dbraw/zinc/92/63/80/1080926380.db2.gz MFICXBNXATYEEK-KRWDZBQOSA-N 0 3 423.583 0.926 20 0 HCADHN C[C@H](CNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)CN1CCN(C)CC1 ZINC000466132723 1080926728 /nfs/dbraw/zinc/92/67/28/1080926728.db2.gz MFICXBNXATYEEK-QGZVFWFLSA-N 0 3 423.583 0.926 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000466134026 1080932742 /nfs/dbraw/zinc/93/27/42/1080932742.db2.gz GMEGDPCCBQFJKV-KRWDZBQOSA-N 0 3 417.558 0.286 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000466134027 1080933389 /nfs/dbraw/zinc/93/33/89/1080933389.db2.gz GMEGDPCCBQFJKV-QGZVFWFLSA-N 0 3 417.558 0.286 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)CN1CCN(C)CC1 ZINC000466134490 1080923138 /nfs/dbraw/zinc/92/31/38/1080923138.db2.gz GZJFPOCOIAJKMM-FQEVSTJZSA-N 0 3 422.618 0.600 20 0 HCADHN C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)CN1CCN(C)CC1 ZINC000466134492 1080923595 /nfs/dbraw/zinc/92/35/95/1080923595.db2.gz GZJFPOCOIAJKMM-HXUWFJFHSA-N 0 3 422.618 0.600 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)CN1CCN(C)CC1 ZINC000466134783 1080930586 /nfs/dbraw/zinc/93/05/86/1080930586.db2.gz ANJYKBWLGRBISM-IBGZPJMESA-N 0 3 422.618 0.646 20 0 HCADHN C[C@H](CNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)CN1CCN(C)CC1 ZINC000466134784 1080930620 /nfs/dbraw/zinc/93/06/20/1080930620.db2.gz ANJYKBWLGRBISM-LJQANCHMSA-N 0 3 422.618 0.646 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)CN1CCN(C)CC1 ZINC000466136335 1080931352 /nfs/dbraw/zinc/93/13/52/1080931352.db2.gz RBQIPPZPPZOOGO-INIZCTEOSA-N 0 3 415.546 0.078 20 0 HCADHN C[C@H](CNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)CN1CCN(C)CC1 ZINC000466136347 1080931204 /nfs/dbraw/zinc/93/12/04/1080931204.db2.gz RBQIPPZPPZOOGO-MRXNPFEDSA-N 0 3 415.546 0.078 20 0 HCADHN C[C@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)CN1CCN(C)CC1 ZINC000466136630 1080933892 /nfs/dbraw/zinc/93/38/92/1080933892.db2.gz JTHIAYODLSLWGM-MOPGFXCFSA-N 0 3 422.618 0.644 20 0 HCADHN C[C@@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)CN1CCN(C)CC1 ZINC000466136632 1080934104 /nfs/dbraw/zinc/93/41/04/1080934104.db2.gz JTHIAYODLSLWGM-OALUTQOASA-N 0 3 422.618 0.644 20 0 HCADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000466136634 1080933793 /nfs/dbraw/zinc/93/37/93/1080933793.db2.gz JTHIAYODLSLWGM-RBUKOAKNSA-N 0 3 422.618 0.644 20 0 HCADHN C[C@H](CNC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1)CN1CCN(C)CC1 ZINC000466136635 1080933978 /nfs/dbraw/zinc/93/39/78/1080933978.db2.gz JTHIAYODLSLWGM-RTBURBONSA-N 0 3 422.618 0.644 20 0 HCADHN Cc1cc(NC(=O)C2CCN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)no1 ZINC000466137060 1080933863 /nfs/dbraw/zinc/93/38/63/1080933863.db2.gz STAPTURJNFJNHV-OAHLLOKOSA-N 0 3 406.531 1.227 20 0 HCADHN C[C@@H](CNC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)CN1CCN(C)CC1 ZINC000466137716 1080934485 /nfs/dbraw/zinc/93/44/85/1080934485.db2.gz SHVVUSMKKUNWMX-IBGZPJMESA-N 0 3 422.618 0.456 20 0 HCADHN C[C@H](CNC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)CN1CCN(C)CC1 ZINC000466137717 1080935020 /nfs/dbraw/zinc/93/50/20/1080935020.db2.gz SHVVUSMKKUNWMX-LJQANCHMSA-N 0 3 422.618 0.456 20 0 HCADHN C[C@H](CNC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2)CN1CCN(C)CC1 ZINC000466138382 1080933740 /nfs/dbraw/zinc/93/37/40/1080933740.db2.gz SZXVGXCRVCEOMW-CVEARBPZSA-N 0 3 408.499 0.338 20 0 HCADHN C[C@@H](CNC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2)CN1CCN(C)CC1 ZINC000466138383 1080935103 /nfs/dbraw/zinc/93/51/03/1080935103.db2.gz SZXVGXCRVCEOMW-HOTGVXAUSA-N 0 3 408.499 0.338 20 0 HCADHN C[C@H](CNC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2)CN1CCN(C)CC1 ZINC000466138385 1080934626 /nfs/dbraw/zinc/93/46/26/1080934626.db2.gz SZXVGXCRVCEOMW-HZPDHXFCSA-N 0 3 408.499 0.338 20 0 HCADHN C[C@@H](CNC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2)CN1CCN(C)CC1 ZINC000466138387 1080934977 /nfs/dbraw/zinc/93/49/77/1080934977.db2.gz SZXVGXCRVCEOMW-JKSUJKDBSA-N 0 3 408.499 0.338 20 0 HCADHN CCS(=O)(=O)N(C)C1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000466140736 1080939794 /nfs/dbraw/zinc/93/97/94/1080939794.db2.gz VMHCTHTYKVEBBQ-INIZCTEOSA-N 0 3 403.593 0.325 20 0 HCADHN CCS(=O)(=O)N(C)C1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000466140738 1080939673 /nfs/dbraw/zinc/93/96/73/1080939673.db2.gz VMHCTHTYKVEBBQ-MRXNPFEDSA-N 0 3 403.593 0.325 20 0 HCADHN C[C@H](CNC(=O)NC[C@H](O)COc1ccc(F)c(F)c1)CN1CCN(C)CC1 ZINC000466141191 1080938846 /nfs/dbraw/zinc/93/88/46/1080938846.db2.gz WSVCGHOSCBGHIK-CABCVRRESA-N 0 3 400.470 0.887 20 0 HCADHN C[C@@H](CNC(=O)NC[C@H](O)COc1ccc(F)c(F)c1)CN1CCN(C)CC1 ZINC000466141192 1080939122 /nfs/dbraw/zinc/93/91/22/1080939122.db2.gz WSVCGHOSCBGHIK-GJZGRUSLSA-N 0 3 400.470 0.887 20 0 HCADHN C[C@H](CNC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1)CN1CCN(C)CC1 ZINC000466141193 1080939228 /nfs/dbraw/zinc/93/92/28/1080939228.db2.gz WSVCGHOSCBGHIK-HUUCEWRRSA-N 0 3 400.470 0.887 20 0 HCADHN C[C@@H](CNC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1)CN1CCN(C)CC1 ZINC000466141194 1080939342 /nfs/dbraw/zinc/93/93/42/1080939342.db2.gz WSVCGHOSCBGHIK-LSDHHAIUSA-N 0 3 400.470 0.887 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC000466141473 1080939045 /nfs/dbraw/zinc/93/90/45/1080939045.db2.gz KPRWZUUOZGQGRY-KRWDZBQOSA-N 0 3 417.620 0.716 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC000466141474 1080938909 /nfs/dbraw/zinc/93/89/09/1080938909.db2.gz KPRWZUUOZGQGRY-QGZVFWFLSA-N 0 3 417.620 0.716 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(Cc2nccn2C(F)F)CC1)CN1CCN(C)CC1 ZINC000466143248 1080937687 /nfs/dbraw/zinc/93/76/87/1080937687.db2.gz MGUWJJDMPSDOGG-INIZCTEOSA-N 0 3 413.517 0.989 20 0 HCADHN C[C@H](CNC(=O)N1CCN(Cc2nccn2C(F)F)CC1)CN1CCN(C)CC1 ZINC000466143249 1080937862 /nfs/dbraw/zinc/93/78/62/1080937862.db2.gz MGUWJJDMPSDOGG-MRXNPFEDSA-N 0 3 413.517 0.989 20 0 HCADHN C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000466143655 1080942488 /nfs/dbraw/zinc/94/24/88/1080942488.db2.gz YIRMZHMEHUTRCD-GOSISDBHSA-N 0 3 423.583 0.586 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000466143663 1080942344 /nfs/dbraw/zinc/94/23/44/1080942344.db2.gz YIRMZHMEHUTRCD-SFHVURJKSA-N 0 3 423.583 0.586 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000466143767 1080942619 /nfs/dbraw/zinc/94/26/19/1080942619.db2.gz YPHAKYZSYCRXKS-DLBZAZTESA-N 0 3 403.593 0.373 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000466143770 1080942224 /nfs/dbraw/zinc/94/22/24/1080942224.db2.gz YPHAKYZSYCRXKS-IAGOWNOFSA-N 0 3 403.593 0.373 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000466143773 1080942384 /nfs/dbraw/zinc/94/23/84/1080942384.db2.gz YPHAKYZSYCRXKS-IRXDYDNUSA-N 0 3 403.593 0.373 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000466143775 1080942800 /nfs/dbraw/zinc/94/28/00/1080942800.db2.gz YPHAKYZSYCRXKS-SJORKVTESA-N 0 3 403.593 0.373 20 0 HCADHN CCCS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000466144004 1080941905 /nfs/dbraw/zinc/94/19/05/1080941905.db2.gz YGYCLCZQVRJQOQ-INIZCTEOSA-N 0 3 403.593 0.373 20 0 HCADHN CCCS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000466144005 1080941563 /nfs/dbraw/zinc/94/15/63/1080941563.db2.gz YGYCLCZQVRJQOQ-MRXNPFEDSA-N 0 3 403.593 0.373 20 0 HCADHN C[C@@H](CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)CN1CCN(C)CC1 ZINC000466144135 1080941787 /nfs/dbraw/zinc/94/17/87/1080941787.db2.gz OGDHTMUHSVLXAT-DLBZAZTESA-N 0 3 403.593 0.373 20 0 HCADHN C[C@H](CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)CN1CCN(C)CC1 ZINC000466144137 1080941771 /nfs/dbraw/zinc/94/17/71/1080941771.db2.gz OGDHTMUHSVLXAT-IAGOWNOFSA-N 0 3 403.593 0.373 20 0 HCADHN C[C@@H](CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)CN1CCN(C)CC1 ZINC000466144140 1080941744 /nfs/dbraw/zinc/94/17/44/1080941744.db2.gz OGDHTMUHSVLXAT-IRXDYDNUSA-N 0 3 403.593 0.373 20 0 HCADHN C[C@H](CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)CN1CCN(C)CC1 ZINC000466144141 1080941847 /nfs/dbraw/zinc/94/18/47/1080941847.db2.gz OGDHTMUHSVLXAT-SJORKVTESA-N 0 3 403.593 0.373 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000466147568 1080940276 /nfs/dbraw/zinc/94/02/76/1080940276.db2.gz TZAQUSBYJZGHIP-IBGZPJMESA-N 0 3 416.570 0.836 20 0 HCADHN C[C@H](CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000466147569 1080940496 /nfs/dbraw/zinc/94/04/96/1080940496.db2.gz TZAQUSBYJZGHIP-LJQANCHMSA-N 0 3 416.570 0.836 20 0 HCADHN CCN(C1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000466147963 1080945290 /nfs/dbraw/zinc/94/52/90/1080945290.db2.gz QUMLLVZCUCFKQG-INIZCTEOSA-N 0 3 403.593 0.325 20 0 HCADHN CCN(C1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000466147964 1080945353 /nfs/dbraw/zinc/94/53/53/1080945353.db2.gz QUMLLVZCUCFKQG-MRXNPFEDSA-N 0 3 403.593 0.325 20 0 HCADHN C[C@@H](CNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000466149371 1080945937 /nfs/dbraw/zinc/94/59/37/1080945937.db2.gz WZQMWVMHNQXWLQ-IBGZPJMESA-N 0 3 401.555 0.966 20 0 HCADHN C[C@H](CNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000466149373 1080946029 /nfs/dbraw/zinc/94/60/29/1080946029.db2.gz WZQMWVMHNQXWLQ-LJQANCHMSA-N 0 3 401.555 0.966 20 0 HCADHN C[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000466149916 1080946425 /nfs/dbraw/zinc/94/64/25/1080946425.db2.gz USPUOLMECQHVIB-CVEARBPZSA-N 0 3 411.572 0.920 20 0 HCADHN C[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000466149923 1080946319 /nfs/dbraw/zinc/94/63/19/1080946319.db2.gz USPUOLMECQHVIB-HOTGVXAUSA-N 0 3 411.572 0.920 20 0 HCADHN C[C@H](CNC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000466149926 1080946693 /nfs/dbraw/zinc/94/66/93/1080946693.db2.gz USPUOLMECQHVIB-HZPDHXFCSA-N 0 3 411.572 0.920 20 0 HCADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000466149928 1080947373 /nfs/dbraw/zinc/94/73/73/1080947373.db2.gz USPUOLMECQHVIB-JKSUJKDBSA-N 0 3 411.572 0.920 20 0 HCADHN Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(CC4CCOCC4)CC3)C2=O)n1 ZINC000466167934 1080973698 /nfs/dbraw/zinc/97/36/98/1080973698.db2.gz PHWHQZLRLHDMKJ-KRWDZBQOSA-N 0 3 404.515 0.669 20 0 HCADHN Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(CC4CCOCC4)CC3)C2=O)n1 ZINC000466167935 1080973342 /nfs/dbraw/zinc/97/33/42/1080973342.db2.gz PHWHQZLRLHDMKJ-QGZVFWFLSA-N 0 3 404.515 0.669 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000466175251 1080981365 /nfs/dbraw/zinc/98/13/65/1080981365.db2.gz YNVJPCDSSAAHPT-INIZCTEOSA-N 0 3 419.530 0.111 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000466175255 1080981172 /nfs/dbraw/zinc/98/11/72/1080981172.db2.gz YNVJPCDSSAAHPT-MRXNPFEDSA-N 0 3 419.530 0.111 20 0 HCADHN NC(=O)COc1cccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000466194698 1081008624 /nfs/dbraw/zinc/00/86/24/1081008624.db2.gz HZXPXYDANRTZRH-UHFFFAOYSA-N 0 3 403.483 0.000 20 0 HCADHN NC(=O)COc1cccc(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000466214426 1081017413 /nfs/dbraw/zinc/01/74/13/1081017413.db2.gz ADUZMSFSTAMMOK-JOCHJYFZSA-N 0 3 412.490 0.987 20 0 HCADHN NC(=O)COc1cccc(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000466214435 1081017385 /nfs/dbraw/zinc/01/73/85/1081017385.db2.gz ADUZMSFSTAMMOK-QFIPXVFZSA-N 0 3 412.490 0.987 20 0 HCADHN CNC(=O)N[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)CCOC)c2)C1 ZINC000466215929 1081019032 /nfs/dbraw/zinc/01/90/32/1081019032.db2.gz GPRARYWEASCTOT-KRWDZBQOSA-N 0 3 407.515 0.857 20 0 HCADHN CNC(=O)N[C@@H]1CCN(C(=O)NCc2cccc(OCCN(C)CCOC)c2)C1 ZINC000466215930 1081018988 /nfs/dbraw/zinc/01/89/88/1081018988.db2.gz GPRARYWEASCTOT-QGZVFWFLSA-N 0 3 407.515 0.857 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000466217781 1081019574 /nfs/dbraw/zinc/01/95/74/1081019574.db2.gz OEJSRWUACFYONW-UHFFFAOYSA-N 0 3 405.499 0.246 20 0 HCADHN CN1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221922 1081022374 /nfs/dbraw/zinc/02/23/74/1081022374.db2.gz HCTHWFDHRYYMLY-MOPGFXCFSA-N 0 3 400.527 0.784 20 0 HCADHN CN1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221924 1081022160 /nfs/dbraw/zinc/02/21/60/1081022160.db2.gz HCTHWFDHRYYMLY-OALUTQOASA-N 0 3 400.527 0.784 20 0 HCADHN CN1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221926 1081022463 /nfs/dbraw/zinc/02/24/63/1081022463.db2.gz HCTHWFDHRYYMLY-RBUKOAKNSA-N 0 3 400.527 0.784 20 0 HCADHN CN1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221927 1081022294 /nfs/dbraw/zinc/02/22/94/1081022294.db2.gz HCTHWFDHRYYMLY-RTBURBONSA-N 0 3 400.527 0.784 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)CC1 ZINC000466223845 1081023440 /nfs/dbraw/zinc/02/34/40/1081023440.db2.gz JMRJMCOJTWTAJV-IBGZPJMESA-N 0 3 400.527 0.743 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000466223846 1081023530 /nfs/dbraw/zinc/02/35/30/1081023530.db2.gz JMRJMCOJTWTAJV-LJQANCHMSA-N 0 3 400.527 0.743 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466225650 1081023971 /nfs/dbraw/zinc/02/39/71/1081023971.db2.gz MTVTZMNNUWKIPI-IBGZPJMESA-N 0 3 400.527 0.613 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466225653 1081024045 /nfs/dbraw/zinc/02/40/45/1081024045.db2.gz MTVTZMNNUWKIPI-LJQANCHMSA-N 0 3 400.527 0.613 20 0 HCADHN CN(Cc1nnnn1C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000466227541 1081021745 /nfs/dbraw/zinc/02/17/45/1081021745.db2.gz OZVKSGHLBSOGRF-UHFFFAOYSA-N 0 3 400.531 0.950 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000466230087 1081025522 /nfs/dbraw/zinc/02/55/22/1081025522.db2.gz XAOSPXJWMDYDDP-IBGZPJMESA-N 0 3 400.527 0.743 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000466230088 1081025343 /nfs/dbraw/zinc/02/53/43/1081025343.db2.gz XAOSPXJWMDYDDP-LJQANCHMSA-N 0 3 400.527 0.743 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000466246649 1081040438 /nfs/dbraw/zinc/04/04/38/1081040438.db2.gz LZDLRTCKCRZDGY-INIZCTEOSA-N 0 3 419.530 0.029 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000466246653 1081040321 /nfs/dbraw/zinc/04/03/21/1081040321.db2.gz LZDLRTCKCRZDGY-MRXNPFEDSA-N 0 3 419.530 0.029 20 0 HCADHN Cc1cc(N2CC[C@H](NC(=O)N3CCN(CC4CCOCC4)CC3)C2=O)n(C)n1 ZINC000466248154 1081041786 /nfs/dbraw/zinc/04/17/86/1081041786.db2.gz MTKJXBAPCGJUIG-KRWDZBQOSA-N 0 3 404.515 0.588 20 0 HCADHN Cc1cc(N2CC[C@@H](NC(=O)N3CCN(CC4CCOCC4)CC3)C2=O)n(C)n1 ZINC000466248158 1081041613 /nfs/dbraw/zinc/04/16/13/1081041613.db2.gz MTKJXBAPCGJUIG-QGZVFWFLSA-N 0 3 404.515 0.588 20 0 HCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000466253579 1081043530 /nfs/dbraw/zinc/04/35/30/1081043530.db2.gz QIIRXWBCQRJCMH-KRWDZBQOSA-N 0 3 405.499 0.563 20 0 HCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000466253582 1081043415 /nfs/dbraw/zinc/04/34/15/1081043415.db2.gz QIIRXWBCQRJCMH-QGZVFWFLSA-N 0 3 405.499 0.563 20 0 HCADHN COCc1nc2n(n1)C[C@@H](N[C@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466293147 1081063839 /nfs/dbraw/zinc/06/38/39/1081063839.db2.gz KMZJSFIWMGPLRX-AAEUAGOBSA-N 0 3 405.480 0.983 20 0 HCADHN COCc1nc2n(n1)C[C@H](N[C@@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466293148 1081064013 /nfs/dbraw/zinc/06/40/13/1081064013.db2.gz KMZJSFIWMGPLRX-DGCLKSJQSA-N 0 3 405.480 0.983 20 0 HCADHN COCc1nc2n(n1)C[C@@H](N[C@@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466293149 1081063858 /nfs/dbraw/zinc/06/38/58/1081063858.db2.gz KMZJSFIWMGPLRX-WCQYABFASA-N 0 3 405.480 0.983 20 0 HCADHN COCc1nc2n(n1)C[C@H](N[C@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466293150 1081063917 /nfs/dbraw/zinc/06/39/17/1081063917.db2.gz KMZJSFIWMGPLRX-YPMHNXCESA-N 0 3 405.480 0.983 20 0 HCADHN COCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)CC2 ZINC000466300802 1081069849 /nfs/dbraw/zinc/06/98/49/1081069849.db2.gz VPQQZVNZZWSMGL-CHWSQXEVSA-N 0 3 407.496 0.760 20 0 HCADHN CCCN(C(=O)[C@H](C)N[C@H]1CCc2nc(COC)nn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000466301052 1081064307 /nfs/dbraw/zinc/06/43/07/1081064307.db2.gz VVHOPJZJJSCSLV-KKUMJFAQSA-N 0 3 413.544 0.143 20 0 HCADHN CCCN(C(=O)[C@H](C)N[C@@H]1CCc2nc(COC)nn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000466301053 1081064405 /nfs/dbraw/zinc/06/44/05/1081064405.db2.gz VVHOPJZJJSCSLV-RRFJBIMHSA-N 0 3 413.544 0.143 20 0 HCADHN CCCN(C(=O)[C@H](C)N[C@H]1CCc2nc(COC)nn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000466301054 1081065332 /nfs/dbraw/zinc/06/53/32/1081065332.db2.gz VVHOPJZJJSCSLV-SOUVJXGZSA-N 0 3 413.544 0.143 20 0 HCADHN CCCN(C(=O)[C@H](C)N[C@@H]1CCc2nc(COC)nn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000466301055 1081065810 /nfs/dbraw/zinc/06/58/10/1081065810.db2.gz VVHOPJZJJSCSLV-ZNMIVQPWSA-N 0 3 413.544 0.143 20 0 HCADHN COCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)CC2 ZINC000466301110 1081065789 /nfs/dbraw/zinc/06/57/89/1081065789.db2.gz VPQQZVNZZWSMGL-OLZOCXBDSA-N 0 3 407.496 0.760 20 0 HCADHN COCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)CC2 ZINC000466301111 1081065885 /nfs/dbraw/zinc/06/58/85/1081065885.db2.gz VPQQZVNZZWSMGL-QWHCGFSZSA-N 0 3 407.496 0.760 20 0 HCADHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)CC2 ZINC000466301112 1081065842 /nfs/dbraw/zinc/06/58/42/1081065842.db2.gz VPQQZVNZZWSMGL-STQMWFEESA-N 0 3 407.496 0.760 20 0 HCADHN CCOCCS(=O)(=O)NCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000466328488 1081080252 /nfs/dbraw/zinc/08/02/52/1081080252.db2.gz SUUHLOMHBKDYCZ-UHFFFAOYSA-N 0 3 412.556 0.503 20 0 HCADHN CCN1CCN([C@H]2CCN(C(=O)NC[C@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000466342512 1081092157 /nfs/dbraw/zinc/09/21/57/1081092157.db2.gz DYNQFWNBLCZHLP-MSOLQXFVSA-N 0 3 416.574 0.909 20 0 HCADHN CCN1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000466342513 1081092316 /nfs/dbraw/zinc/09/23/16/1081092316.db2.gz DYNQFWNBLCZHLP-QZTJIDSGSA-N 0 3 416.574 0.909 20 0 HCADHN CCN1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000466342614 1081091610 /nfs/dbraw/zinc/09/16/10/1081091610.db2.gz DYNQFWNBLCZHLP-ROUUACIJSA-N 0 3 416.574 0.909 20 0 HCADHN CCN1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000466342615 1081091740 /nfs/dbraw/zinc/09/17/40/1081091740.db2.gz DYNQFWNBLCZHLP-ZWKOTPCHSA-N 0 3 416.574 0.909 20 0 HCADHN CCOCCS(=O)(=O)NCC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000466342937 1081092259 /nfs/dbraw/zinc/09/22/59/1081092259.db2.gz XHFYMUGQEAYYSQ-HOTGVXAUSA-N 0 3 405.561 0.290 20 0 HCADHN CCOCCS(=O)(=O)NCC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000466342938 1081092825 /nfs/dbraw/zinc/09/28/25/1081092825.db2.gz XHFYMUGQEAYYSQ-HZPDHXFCSA-N 0 3 405.561 0.290 20 0 HCADHN CCOCCS(=O)(=O)NCC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000466342939 1081092593 /nfs/dbraw/zinc/09/25/93/1081092593.db2.gz XHFYMUGQEAYYSQ-IYBDPMFKSA-N 0 3 405.561 0.290 20 0 HCADHN CCOCCS(=O)(=O)NCC(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000466349320 1081098529 /nfs/dbraw/zinc/09/85/29/1081098529.db2.gz FTYNADPNHZFKJZ-UHFFFAOYSA-N 0 3 412.556 0.719 20 0 HCADHN COC(=O)Cn1cc(CCN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)nn1 ZINC000466358763 1081106870 /nfs/dbraw/zinc/10/68/70/1081106870.db2.gz FKUNXWSXTULKQQ-FQEVSTJZSA-N 0 3 412.450 0.190 20 0 HCADHN COC(=O)Cn1cc(CCN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)nn1 ZINC000466358764 1081106744 /nfs/dbraw/zinc/10/67/44/1081106744.db2.gz FKUNXWSXTULKQQ-HXUWFJFHSA-N 0 3 412.450 0.190 20 0 HCADHN CC(C)(C)OC(=O)CNC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466359263 1081103859 /nfs/dbraw/zinc/10/38/59/1081103859.db2.gz LIUKZLKIUCCGNO-NRFANRHFSA-N 0 3 416.478 0.641 20 0 HCADHN CC(C)(C)OC(=O)CNC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466359264 1081103898 /nfs/dbraw/zinc/10/38/98/1081103898.db2.gz LIUKZLKIUCCGNO-OAQYLSRUSA-N 0 3 416.478 0.641 20 0 HCADHN COC[C@@H](C)NC(=O)NC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466361479 1081104404 /nfs/dbraw/zinc/10/44/04/1081104404.db2.gz AOLGYJNONMMRRP-JLTOFOAXSA-N 0 3 417.466 0.044 20 0 HCADHN COC[C@H](C)NC(=O)NC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466361480 1081104487 /nfs/dbraw/zinc/10/44/87/1081104487.db2.gz AOLGYJNONMMRRP-VBKZILBWSA-N 0 3 417.466 0.044 20 0 HCADHN COC[C@@H](C)NC(=O)NC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466361481 1081104367 /nfs/dbraw/zinc/10/43/67/1081104367.db2.gz AOLGYJNONMMRRP-VLIAUNLRSA-N 0 3 417.466 0.044 20 0 HCADHN COC[C@H](C)NC(=O)NC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466361482 1081104317 /nfs/dbraw/zinc/10/43/17/1081104317.db2.gz AOLGYJNONMMRRP-XOBRGWDASA-N 0 3 417.466 0.044 20 0 HCADHN CC(C)(C)NC(=O)CNC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466362160 1081104392 /nfs/dbraw/zinc/10/43/92/1081104392.db2.gz JACVMBIPYVQDHE-NRFANRHFSA-N 0 3 415.494 0.214 20 0 HCADHN CC(C)(C)NC(=O)CNC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466362161 1081104448 /nfs/dbraw/zinc/10/44/48/1081104448.db2.gz JACVMBIPYVQDHE-OAQYLSRUSA-N 0 3 415.494 0.214 20 0 HCADHN C[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000466382386 1081113154 /nfs/dbraw/zinc/11/31/54/1081113154.db2.gz XDWFQXXNIBPBCF-MRUHUIDDSA-N 0 3 400.479 0.819 20 0 HCADHN C[C@@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000466382387 1081113390 /nfs/dbraw/zinc/11/33/90/1081113390.db2.gz XDWFQXXNIBPBCF-VWKPWSFCSA-N 0 3 400.479 0.819 20 0 HCADHN C[C@@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)C[C@@H](C)O1 ZINC000466382388 1081112978 /nfs/dbraw/zinc/11/29/78/1081112978.db2.gz XDWFQXXNIBPBCF-WHSLLNHNSA-N 0 3 400.479 0.819 20 0 HCADHN C[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)C[C@@H](C)O1 ZINC000466382389 1081113252 /nfs/dbraw/zinc/11/32/52/1081113252.db2.gz XDWFQXXNIBPBCF-ZOCZFRKYSA-N 0 3 400.479 0.819 20 0 HCADHN CCS(=O)(=O)c1cccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000466385033 1081114655 /nfs/dbraw/zinc/11/46/55/1081114655.db2.gz YQQKARWRFFXOFP-UHFFFAOYSA-N 0 3 422.551 0.930 20 0 HCADHN CCS(=O)(=O)c1cccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000466396408 1081121986 /nfs/dbraw/zinc/12/19/86/1081121986.db2.gz RBPLTYLHRDDKRL-GOSISDBHSA-N 0 3 422.551 0.928 20 0 HCADHN CCS(=O)(=O)c1cccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000466396409 1081121450 /nfs/dbraw/zinc/12/14/50/1081121450.db2.gz RBPLTYLHRDDKRL-SFHVURJKSA-N 0 3 422.551 0.928 20 0 HCADHN CN(C)Cc1cccc(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 ZINC000466397167 1081123229 /nfs/dbraw/zinc/12/32/29/1081123229.db2.gz UBSWOBREIZYLCG-UHFFFAOYSA-N 0 3 401.471 0.242 20 0 HCADHN CC1(C)NC(=O)N(CCCN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)C1=O ZINC000466462587 1081187607 /nfs/dbraw/zinc/18/76/07/1081187607.db2.gz DSUIRSYOXXWTIM-NRFANRHFSA-N 0 3 413.478 0.903 20 0 HCADHN CC1(C)NC(=O)N(CCCN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)C1=O ZINC000466462588 1081187734 /nfs/dbraw/zinc/18/77/34/1081187734.db2.gz DSUIRSYOXXWTIM-OAQYLSRUSA-N 0 3 413.478 0.903 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)N3CC(n4cc(C(N)=O)nn4)C3)c(C)c2)CC1 ZINC000466469142 1081198624 /nfs/dbraw/zinc/19/86/24/1081198624.db2.gz PKTSVAPEFCMUET-UHFFFAOYSA-N 0 3 412.498 0.916 20 0 HCADHN CCCNC(=O)CN(C)C(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466478954 1081212539 /nfs/dbraw/zinc/21/25/39/1081212539.db2.gz NGUYEDVKTUKTHM-NRFANRHFSA-N 0 3 415.494 0.168 20 0 HCADHN CCCNC(=O)CN(C)C(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466478955 1081212977 /nfs/dbraw/zinc/21/29/77/1081212977.db2.gz NGUYEDVKTUKTHM-OAQYLSRUSA-N 0 3 415.494 0.168 20 0 HCADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CCn1nc2ccccn2c1=O ZINC000466479396 1081212285 /nfs/dbraw/zinc/21/22/85/1081212285.db2.gz VRVSAMPBSYPLDC-NRFANRHFSA-N 0 3 406.446 0.693 20 0 HCADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1CCn1nc2ccccn2c1=O ZINC000466479397 1081211927 /nfs/dbraw/zinc/21/19/27/1081211927.db2.gz VRVSAMPBSYPLDC-OAQYLSRUSA-N 0 3 406.446 0.693 20 0 HCADHN CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466482345 1081212121 /nfs/dbraw/zinc/21/21/21/1081212121.db2.gz NJLWTLWEUIJKOO-FQEVSTJZSA-N 0 3 401.467 0.807 20 0 HCADHN CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466482346 1081212246 /nfs/dbraw/zinc/21/22/46/1081212246.db2.gz NJLWTLWEUIJKOO-HXUWFJFHSA-N 0 3 401.467 0.807 20 0 HCADHN CCOC(=O)CN(C)C(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466482854 1081215281 /nfs/dbraw/zinc/21/52/81/1081215281.db2.gz UEFRRVSAKWGFST-FQEVSTJZSA-N 0 3 402.451 0.204 20 0 HCADHN CCOC(=O)CN(C)C(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466482855 1081215392 /nfs/dbraw/zinc/21/53/92/1081215392.db2.gz UEFRRVSAKWGFST-HXUWFJFHSA-N 0 3 402.451 0.204 20 0 HCADHN CCOC(=O)CCCNC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466484509 1081217285 /nfs/dbraw/zinc/21/72/85/1081217285.db2.gz DCJXLHWZGUAEMV-NRFANRHFSA-N 0 3 416.478 0.642 20 0 HCADHN CCOC(=O)CCCNC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466484510 1081217224 /nfs/dbraw/zinc/21/72/24/1081217224.db2.gz DCJXLHWZGUAEMV-OAQYLSRUSA-N 0 3 416.478 0.642 20 0 HCADHN CN(CCC1CCOCC1)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000466484603 1081217395 /nfs/dbraw/zinc/21/73/95/1081217395.db2.gz FPWHRNGVVBOIKV-UHFFFAOYSA-N 0 3 401.515 0.760 20 0 HCADHN CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466493762 1081221370 /nfs/dbraw/zinc/22/13/70/1081221370.db2.gz VWBYLGAJNPUANY-FQEVSTJZSA-N 0 3 401.467 0.665 20 0 HCADHN CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466493763 1081221588 /nfs/dbraw/zinc/22/15/88/1081221588.db2.gz VWBYLGAJNPUANY-HXUWFJFHSA-N 0 3 401.467 0.665 20 0 HCADHN CCCCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466496690 1081225809 /nfs/dbraw/zinc/22/58/09/1081225809.db2.gz UIMPWMPXAYYRHR-FQEVSTJZSA-N 0 3 401.467 0.809 20 0 HCADHN CCCCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466496691 1081226607 /nfs/dbraw/zinc/22/66/07/1081226607.db2.gz UIMPWMPXAYYRHR-HXUWFJFHSA-N 0 3 401.467 0.809 20 0 HCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CN1Cc1ccccc1 ZINC000466517056 1081238864 /nfs/dbraw/zinc/23/88/64/1081238864.db2.gz UKFJQQBKBJDNSB-AEFFLSMTSA-N 0 3 412.498 0.190 20 0 HCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CN1Cc1ccccc1 ZINC000466517057 1081238618 /nfs/dbraw/zinc/23/86/18/1081238618.db2.gz UKFJQQBKBJDNSB-FUHWJXTLSA-N 0 3 412.498 0.190 20 0 HCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CN1Cc1ccccc1 ZINC000466517058 1081238793 /nfs/dbraw/zinc/23/87/93/1081238793.db2.gz UKFJQQBKBJDNSB-SJLPKXTDSA-N 0 3 412.498 0.190 20 0 HCADHN C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CN1Cc1ccccc1 ZINC000466517059 1081238411 /nfs/dbraw/zinc/23/84/11/1081238411.db2.gz UKFJQQBKBJDNSB-WMZOPIPTSA-N 0 3 412.498 0.190 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000466517102 1081238376 /nfs/dbraw/zinc/23/83/76/1081238376.db2.gz 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ZINC000480403757 1081162409 /nfs/dbraw/zinc/16/24/09/1081162409.db2.gz NMYUFHDZKYNJTM-CQSZACIVSA-N 0 3 416.400 0.827 20 0 HCADHN CS(=O)(=O)N1CCCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000489793982 1073538613 /nfs/dbraw/zinc/53/86/13/1073538613.db2.gz VGGAFUSGLRVNGH-UHFFFAOYSA-N 0 3 424.567 0.820 20 0 HCADHN CC(=O)NC[C@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000489796897 1073539044 /nfs/dbraw/zinc/53/90/44/1073539044.db2.gz LNPBLDVNYSERKB-FQEVSTJZSA-N 0 3 404.511 0.690 20 0 HCADHN CC(=O)NC[C@@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000489796898 1073539242 /nfs/dbraw/zinc/53/92/42/1073539242.db2.gz LNPBLDVNYSERKB-HXUWFJFHSA-N 0 3 404.511 0.690 20 0 HCADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000489805092 1073540352 /nfs/dbraw/zinc/54/03/52/1073540352.db2.gz JPQRGIMEFCUQGZ-GOSISDBHSA-N 0 3 424.567 0.867 20 0 HCADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000489805093 1073540634 /nfs/dbraw/zinc/54/06/34/1073540634.db2.gz JPQRGIMEFCUQGZ-SFHVURJKSA-N 0 3 424.567 0.867 20 0 HCADHN CCS(=O)(=O)NCCCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000489807106 1073540939 /nfs/dbraw/zinc/54/09/39/1073540939.db2.gz JMIOMSZQXCOULE-UHFFFAOYSA-N 0 3 412.556 0.772 20 0 HCADHN CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000489808038 1073540976 /nfs/dbraw/zinc/54/09/76/1073540976.db2.gz NAUYFQODJLQKKL-UHFFFAOYSA-N 0 3 417.554 0.607 20 0 HCADHN C[C@@](O)(CNC(=O)NCc1ccccc1CN1CCC(O)CC1)CN1CCOCC1 ZINC000489813338 1073541798 /nfs/dbraw/zinc/54/17/98/1073541798.db2.gz SGSCGUYOVMCSLH-JOCHJYFZSA-N 0 3 420.554 0.526 20 0 HCADHN C[C@](O)(CNC(=O)NCc1ccccc1CN1CCC(O)CC1)CN1CCOCC1 ZINC000489813340 1073541711 /nfs/dbraw/zinc/54/17/11/1073541711.db2.gz SGSCGUYOVMCSLH-QFIPXVFZSA-N 0 3 420.554 0.526 20 0 HCADHN CN1CCN(C(=O)CCNC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000489814181 1073542581 /nfs/dbraw/zinc/54/25/81/1073542581.db2.gz ULAVSQPSQJVLCV-UHFFFAOYSA-N 0 3 417.554 0.607 20 0 HCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)n2C ZINC000489830905 1073545178 /nfs/dbraw/zinc/54/51/78/1073545178.db2.gz ZEWASZXDIQGENU-INIZCTEOSA-N 0 3 417.510 0.767 20 0 HCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)n2C ZINC000489830906 1073545317 /nfs/dbraw/zinc/54/53/17/1073545317.db2.gz ZEWASZXDIQGENU-MRXNPFEDSA-N 0 3 417.510 0.767 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(CCOC)CC3)cc2)CC1 ZINC000491246737 1075091853 /nfs/dbraw/zinc/09/18/53/1075091853.db2.gz JYSPRAVGQMLKOT-UHFFFAOYSA-N 0 3 417.554 0.553 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000491269658 1075398885 /nfs/dbraw/zinc/39/88/85/1075398885.db2.gz DILFCRQABPVIDY-UHFFFAOYSA-N 0 3 418.491 0.051 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000491283782 1075521358 /nfs/dbraw/zinc/52/13/58/1075521358.db2.gz KLFDGOBFQLXNGQ-UHFFFAOYSA-N 0 3 422.917 0.562 20 0 HCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(CCOC)CCN(C)C)cc1 ZINC000491285198 1075528235 /nfs/dbraw/zinc/52/82/35/1075528235.db2.gz SRWTWJPJDZSWPE-UHFFFAOYSA-N 0 3 400.501 0.423 20 0 HCADHN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)c1 ZINC000491295528 1075713136 /nfs/dbraw/zinc/71/31/36/1075713136.db2.gz OOTCYLGHZQFQNZ-PBHICJAKSA-N 0 3 418.494 0.859 20 0 HCADHN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)c1 ZINC000491295530 1075713353 /nfs/dbraw/zinc/71/33/53/1075713353.db2.gz OOTCYLGHZQFQNZ-RHSMWYFYSA-N 0 3 418.494 0.859 20 0 HCADHN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)N(C)C)c1 ZINC000491295532 1075713070 /nfs/dbraw/zinc/71/30/70/1075713070.db2.gz OOTCYLGHZQFQNZ-WMLDXEAASA-N 0 3 418.494 0.859 20 0 HCADHN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)N(C)C)c1 ZINC000491295534 1075713213 /nfs/dbraw/zinc/71/32/13/1075713213.db2.gz OOTCYLGHZQFQNZ-YOEHRIQHSA-N 0 3 418.494 0.859 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 ZINC000491304099 1075822777 /nfs/dbraw/zinc/82/27/77/1075822777.db2.gz JEIWVDPKHSUHNT-UHFFFAOYSA-N 0 3 424.567 0.702 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000491305139 1075835746 /nfs/dbraw/zinc/83/57/46/1075835746.db2.gz MFIPMXNIEVBPKB-UHFFFAOYSA-N 0 3 422.917 0.562 20 0 HCADHN C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000491312669 1075863862 /nfs/dbraw/zinc/86/38/62/1075863862.db2.gz POPBLGYFSIXDIH-FGTMMUONSA-N 0 3 417.558 0.583 20 0 HCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000491312670 1075863846 /nfs/dbraw/zinc/86/38/46/1075863846.db2.gz POPBLGYFSIXDIH-KURKYZTESA-N 0 3 417.558 0.583 20 0 HCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000491312671 1075863800 /nfs/dbraw/zinc/86/38/00/1075863800.db2.gz POPBLGYFSIXDIH-KZNAEPCWSA-N 0 3 417.558 0.583 20 0 HCADHN C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000491312672 1075863772 /nfs/dbraw/zinc/86/37/72/1075863772.db2.gz POPBLGYFSIXDIH-SQNIBIBYSA-N 0 3 417.558 0.583 20 0 HCADHN C[C@@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491313067 1075869275 /nfs/dbraw/zinc/86/92/75/1075869275.db2.gz RZNHLEDMYWZFFI-APWZRJJASA-N 0 3 403.527 0.718 20 0 HCADHN C[C@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491313068 1075869181 /nfs/dbraw/zinc/86/91/81/1075869181.db2.gz RZNHLEDMYWZFFI-LPHOPBHVSA-N 0 3 403.527 0.718 20 0 HCADHN C[C@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491313069 1075869269 /nfs/dbraw/zinc/86/92/69/1075869269.db2.gz RZNHLEDMYWZFFI-QFBILLFUSA-N 0 3 403.527 0.718 20 0 HCADHN C[C@@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491313070 1075869255 /nfs/dbraw/zinc/86/92/55/1075869255.db2.gz RZNHLEDMYWZFFI-VQIMIIECSA-N 0 3 403.527 0.718 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 ZINC000491500342 1077234261 /nfs/dbraw/zinc/23/42/61/1077234261.db2.gz LTWBNYBULAPAHV-UHFFFAOYSA-N 0 3 412.512 0.486 20 0 HCADHN Cc1nnnn1-c1cc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1F ZINC000491502582 1077234786 /nfs/dbraw/zinc/23/47/86/1077234786.db2.gz QHUCSROTDULNQO-UHFFFAOYSA-N 0 3 416.461 0.882 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NCC3(CCO)CCC3)c2)CC1 ZINC000491512164 1077241167 /nfs/dbraw/zinc/24/11/67/1077241167.db2.gz MOXARRNFQNUIMG-UHFFFAOYSA-N 0 3 416.522 0.991 20 0 HCADHN CN1CCN(Cc2cccc(NC(=O)C(=O)NCCN3CCSCC3)c2)CC1 ZINC000491518802 1077241844 /nfs/dbraw/zinc/24/18/44/1077241844.db2.gz AIYWQOSDFDQMQP-UHFFFAOYSA-N 0 3 405.568 0.538 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000491522826 1077242349 /nfs/dbraw/zinc/24/23/49/1077242349.db2.gz AUEWMYPMQLRXSF-UHFFFAOYSA-N 0 3 404.467 0.744 20 0 HCADHN CNC(=O)c1ccc(OC)c(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000491536806 1077239759 /nfs/dbraw/zinc/23/97/59/1077239759.db2.gz CYZSNYIZODGMRB-UHFFFAOYSA-N 0 3 403.483 0.827 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC3(CCO)CCC3)cc21 ZINC000491547113 1077244816 /nfs/dbraw/zinc/24/48/16/1077244816.db2.gz OQJBHPYJZCQJAJ-UHFFFAOYSA-N 0 3 404.467 0.764 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CCSC1 ZINC000491548680 1077244785 /nfs/dbraw/zinc/24/47/85/1077244785.db2.gz SLISKKPONWXJND-IBGZPJMESA-N 0 3 422.555 0.434 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CCSC1 ZINC000491548683 1077244885 /nfs/dbraw/zinc/24/48/85/1077244885.db2.gz SLISKKPONWXJND-LJQANCHMSA-N 0 3 422.555 0.434 20 0 HCADHN CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccc3ccn(CC(=O)N(C)C)c3c2)CCO1 ZINC000491557183 1077245620 /nfs/dbraw/zinc/24/56/20/1077245620.db2.gz BNKANEOUBXJXHZ-KRWDZBQOSA-N 0 3 415.494 0.457 20 0 HCADHN CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3ccn(CC(=O)N(C)C)c3c2)CCO1 ZINC000491557184 1077245605 /nfs/dbraw/zinc/24/56/05/1077245605.db2.gz BNKANEOUBXJXHZ-QGZVFWFLSA-N 0 3 415.494 0.457 20 0 HCADHN CNS(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000491559126 1077242968 /nfs/dbraw/zinc/24/29/68/1077242968.db2.gz ZAQJAXXAQCGECA-UHFFFAOYSA-N 0 3 409.512 0.367 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000491560967 1077242998 /nfs/dbraw/zinc/24/29/98/1077242998.db2.gz RPDZFVSZJGQUJB-GOSISDBHSA-N 0 3 410.478 0.576 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000491560968 1077242724 /nfs/dbraw/zinc/24/27/24/1077242724.db2.gz RPDZFVSZJGQUJB-SFHVURJKSA-N 0 3 410.478 0.576 20 0 HCADHN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000491568755 1077249045 /nfs/dbraw/zinc/24/90/45/1077249045.db2.gz JFZZAXPLNJHTBK-HAGHYFMRSA-N 0 3 411.502 0.937 20 0 HCADHN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000491568756 1077248995 /nfs/dbraw/zinc/24/89/95/1077248995.db2.gz JFZZAXPLNJHTBK-VNTMZGSJSA-N 0 3 411.502 0.937 20 0 HCADHN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000491568758 1077249113 /nfs/dbraw/zinc/24/91/13/1077249113.db2.gz JFZZAXPLNJHTBK-YSTOQKLRSA-N 0 3 411.502 0.937 20 0 HCADHN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000491568759 1077249557 /nfs/dbraw/zinc/24/95/57/1077249557.db2.gz JFZZAXPLNJHTBK-ZRNYENFQSA-N 0 3 411.502 0.937 20 0 HCADHN Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nnn1-c1ccn(C)n1 ZINC000491569385 1077249388 /nfs/dbraw/zinc/24/93/88/1077249388.db2.gz KYLOHKDXXLDFAS-MSOLQXFVSA-N 0 3 409.494 0.922 20 0 HCADHN Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nnn1-c1ccn(C)n1 ZINC000491569390 1077249497 /nfs/dbraw/zinc/24/94/97/1077249497.db2.gz KYLOHKDXXLDFAS-QZTJIDSGSA-N 0 3 409.494 0.922 20 0 HCADHN Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)nnn1-c1ccn(C)n1 ZINC000491569391 1077249362 /nfs/dbraw/zinc/24/93/62/1077249362.db2.gz KYLOHKDXXLDFAS-ROUUACIJSA-N 0 3 409.494 0.922 20 0 HCADHN Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)nnn1-c1ccn(C)n1 ZINC000491569392 1077249423 /nfs/dbraw/zinc/24/94/23/1077249423.db2.gz KYLOHKDXXLDFAS-ZWKOTPCHSA-N 0 3 409.494 0.922 20 0 HCADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)NC(=O)CNC2=O ZINC000491570758 1077249541 /nfs/dbraw/zinc/24/95/41/1077249541.db2.gz ULVLIONGDNPFFK-HKUYNNGSSA-N 0 3 422.485 0.981 20 0 HCADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)NC(=O)CNC2=O ZINC000491570759 1077249474 /nfs/dbraw/zinc/24/94/74/1077249474.db2.gz ULVLIONGDNPFFK-IEBWSBKVSA-N 0 3 422.485 0.981 20 0 HCADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)NC(=O)CNC2=O ZINC000491570760 1077249523 /nfs/dbraw/zinc/24/95/23/1077249523.db2.gz ULVLIONGDNPFFK-MJGOQNOKSA-N 0 3 422.485 0.981 20 0 HCADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)NC(=O)CNC2=O ZINC000491570761 1077249453 /nfs/dbraw/zinc/24/94/53/1077249453.db2.gz ULVLIONGDNPFFK-PKOBYXMFSA-N 0 3 422.485 0.981 20 0 HCADHN CC(C)S(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000491580591 1077246466 /nfs/dbraw/zinc/24/64/66/1077246466.db2.gz CTBWZIXXAMUKOK-KRWDZBQOSA-N 0 3 411.524 0.737 20 0 HCADHN CC(C)S(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000491580592 1077246428 /nfs/dbraw/zinc/24/64/28/1077246428.db2.gz CTBWZIXXAMUKOK-QGZVFWFLSA-N 0 3 411.524 0.737 20 0 HCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000491581913 1077246439 /nfs/dbraw/zinc/24/64/39/1077246439.db2.gz RJANBOIDQWMJTH-UHFFFAOYSA-N 0 3 402.455 0.284 20 0 HCADHN CS(=O)(=O)N1CCc2c(cccc2NC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000491592390 1077252131 /nfs/dbraw/zinc/25/21/31/1077252131.db2.gz UYYUFRIADKFXNT-HNNXBMFYSA-N 0 3 406.508 0.249 20 0 HCADHN CS(=O)(=O)N1CCc2c(cccc2NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000491592391 1077252315 /nfs/dbraw/zinc/25/23/15/1077252315.db2.gz UYYUFRIADKFXNT-OAHLLOKOSA-N 0 3 406.508 0.249 20 0 HCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000491594098 1077252588 /nfs/dbraw/zinc/25/25/88/1077252588.db2.gz MPIFCBOGTYLOMU-HNNXBMFYSA-N 0 3 419.569 0.356 20 0 HCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000491594099 1077252554 /nfs/dbraw/zinc/25/25/54/1077252554.db2.gz MPIFCBOGTYLOMU-OAHLLOKOSA-N 0 3 419.569 0.356 20 0 HCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000491608544 1077256621 /nfs/dbraw/zinc/25/66/21/1077256621.db2.gz YTSDKBJMHMOMCY-UHFFFAOYSA-N 0 3 419.569 0.498 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1N1C(=O)CCC1=O ZINC000491609503 1077259038 /nfs/dbraw/zinc/25/90/38/1077259038.db2.gz IEDWISIBBKOFPP-HNNXBMFYSA-N 0 3 402.451 0.376 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1N1C(=O)CCC1=O ZINC000491609504 1077259718 /nfs/dbraw/zinc/25/97/18/1077259718.db2.gz IEDWISIBBKOFPP-OAHLLOKOSA-N 0 3 402.451 0.376 20 0 HCADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[nH]n1 ZINC000491676331 1077260995 /nfs/dbraw/zinc/26/09/95/1077260995.db2.gz PXDKCKYKURLQOB-GFCCVEGCSA-N 0 3 414.466 0.874 20 0 HCADHN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[nH]n1 ZINC000491676337 1077261187 /nfs/dbraw/zinc/26/11/87/1077261187.db2.gz PXDKCKYKURLQOB-LBPRGKRZSA-N 0 3 414.466 0.874 20 0 HCADHN CN(C)C(=O)COc1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000491685144 1077261645 /nfs/dbraw/zinc/26/16/45/1077261645.db2.gz LAXLLPAYQPOJIE-UHFFFAOYSA-N 0 3 417.510 0.926 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000491686104 1077261618 /nfs/dbraw/zinc/26/16/18/1077261618.db2.gz RPFLRSMVURXTIW-UHFFFAOYSA-N 0 3 408.524 0.410 20 0 HCADHN NC(=O)CCOc1ccccc1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000491720229 1077262832 /nfs/dbraw/zinc/26/28/32/1077262832.db2.gz AEPJRPLPOHEHQL-UHFFFAOYSA-N 0 3 403.483 0.713 20 0 HCADHN CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000491720805 1077262862 /nfs/dbraw/zinc/26/28/62/1077262862.db2.gz PEOPXTDSINWGQA-UHFFFAOYSA-N 0 3 410.540 0.959 20 0 HCADHN O=C([C@@H]1CCCN1C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000491722543 1077263443 /nfs/dbraw/zinc/26/34/43/1077263443.db2.gz YCUZKIKGDKYFAW-KRWDZBQOSA-N 0 3 421.519 0.918 20 0 HCADHN O=C([C@H]1CCCN1C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000491722544 1077263459 /nfs/dbraw/zinc/26/34/59/1077263459.db2.gz YCUZKIKGDKYFAW-QGZVFWFLSA-N 0 3 421.519 0.918 20 0 HCADHN COc1ccc(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1N1CCCC1=O ZINC000491760415 1077264144 /nfs/dbraw/zinc/26/41/44/1077264144.db2.gz HWFHSVJEJUGTIW-HNNXBMFYSA-N 0 3 404.467 0.550 20 0 HCADHN COc1ccc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1N1CCCC1=O ZINC000491760416 1077264244 /nfs/dbraw/zinc/26/42/44/1077264244.db2.gz HWFHSVJEJUGTIW-OAHLLOKOSA-N 0 3 404.467 0.550 20 0 HCADHN CCN(CC)C(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000491762399 1077263250 /nfs/dbraw/zinc/26/32/50/1077263250.db2.gz LLINHBNDTJOXER-GOSISDBHSA-N 0 3 404.511 0.825 20 0 HCADHN CCN(CC)C(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000491762400 1077263327 /nfs/dbraw/zinc/26/33/27/1077263327.db2.gz LLINHBNDTJOXER-SFHVURJKSA-N 0 3 404.511 0.825 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1C ZINC000491798262 1077264104 /nfs/dbraw/zinc/26/41/04/1077264104.db2.gz VCLHTFJIOLJNRO-UHFFFAOYSA-N 0 3 423.539 0.675 20 0 HCADHN CCN(C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1)S(C)(=O)=O ZINC000491810662 1077265759 /nfs/dbraw/zinc/26/57/59/1077265759.db2.gz JQWDDSIRUBWLHM-UHFFFAOYSA-N 0 3 410.540 0.959 20 0 HCADHN CCOC(=O)CN(C(=O)CN1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000491832789 1077265818 /nfs/dbraw/zinc/26/58/18/1077265818.db2.gz AXNCSPPZQRTMJU-UHFFFAOYSA-N 0 3 416.522 0.823 20 0 HCADHN CCNC(=O)COc1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000491861677 1077268208 /nfs/dbraw/zinc/26/82/08/1077268208.db2.gz FNQXPWJUMCHEHV-UHFFFAOYSA-N 0 3 417.510 0.973 20 0 HCADHN CCNC(=O)COc1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000491867934 1077267155 /nfs/dbraw/zinc/26/71/55/1077267155.db2.gz SBKKVBIHKPYYSI-UHFFFAOYSA-N 0 3 417.510 0.973 20 0 HCADHN COC(=O)c1ccccc1N(C)C(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000491868535 1077267278 /nfs/dbraw/zinc/26/72/78/1077267278.db2.gz TZDAWZMMHBPUKQ-UHFFFAOYSA-N 0 3 402.495 0.676 20 0 HCADHN COc1ccc(COC[C@@H](O)CN2CCN(C(=O)CN3CCCC3)CC2)cc1OC ZINC000491936995 1077270830 /nfs/dbraw/zinc/27/08/30/1077270830.db2.gz JNANAJSQUBDGOJ-IBGZPJMESA-N 0 3 421.538 0.821 20 0 HCADHN COc1ccc(COC[C@H](O)CN2CCN(C(=O)CN3CCCC3)CC2)cc1OC ZINC000491936996 1077270721 /nfs/dbraw/zinc/27/07/21/1077270721.db2.gz JNANAJSQUBDGOJ-LJQANCHMSA-N 0 3 421.538 0.821 20 0 HCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000491942583 1077271903 /nfs/dbraw/zinc/27/19/03/1077271903.db2.gz ZTPXIORSRPWPTF-UHFFFAOYSA-N 0 3 423.539 0.709 20 0 HCADHN COc1ccc(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)nc1 ZINC000492252689 1077284728 /nfs/dbraw/zinc/28/47/28/1077284728.db2.gz LLHTZFRJTXFHBN-UHFFFAOYSA-N 0 3 412.490 0.980 20 0 HCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000492295628 1077286072 /nfs/dbraw/zinc/28/60/72/1077286072.db2.gz QDVFAGZEHPLXFI-KRWDZBQOSA-N 0 3 408.524 0.713 20 0 HCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000492295629 1077286182 /nfs/dbraw/zinc/28/61/82/1077286182.db2.gz QDVFAGZEHPLXFI-QGZVFWFLSA-N 0 3 408.524 0.713 20 0 HCADHN NS(=O)(=O)c1cccc(NC(=O)CN2CCC(CCN3CCOCC3)CC2)c1 ZINC000492309085 1077286877 /nfs/dbraw/zinc/28/68/77/1077286877.db2.gz NLSPXWQACKRQCF-UHFFFAOYSA-N 0 3 410.540 0.707 20 0 HCADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000492487592 1077294666 /nfs/dbraw/zinc/29/46/66/1077294666.db2.gz SAVSZTADWCKRBZ-KRWDZBQOSA-N 0 3 415.498 0.868 20 0 HCADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000492487594 1077294609 /nfs/dbraw/zinc/29/46/09/1077294609.db2.gz SAVSZTADWCKRBZ-QGZVFWFLSA-N 0 3 415.498 0.868 20 0 HCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000492489317 1077294867 /nfs/dbraw/zinc/29/48/67/1077294867.db2.gz WRVKKKRJKUWCDW-INIZCTEOSA-N 0 3 420.510 0.905 20 0 HCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000492489318 1077294896 /nfs/dbraw/zinc/29/48/96/1077294896.db2.gz WRVKKKRJKUWCDW-MRXNPFEDSA-N 0 3 420.510 0.905 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCc3cscn3)cc21 ZINC000492610615 1077301841 /nfs/dbraw/zinc/30/18/41/1077301841.db2.gz XXXYMUWEDBZTEO-UHFFFAOYSA-N 0 3 403.464 0.910 20 0 HCADHN CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000492632345 1077303272 /nfs/dbraw/zinc/30/32/72/1077303272.db2.gz UOTLLXJOZUQVJN-AZUAARDMSA-N 0 3 401.555 0.519 20 0 HCADHN CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000492632347 1077303422 /nfs/dbraw/zinc/30/34/22/1077303422.db2.gz UOTLLXJOZUQVJN-ICSRJNTNSA-N 0 3 401.555 0.519 20 0 HCADHN CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000492632350 1077303734 /nfs/dbraw/zinc/30/37/34/1077303734.db2.gz UOTLLXJOZUQVJN-QUCCMNQESA-N 0 3 401.555 0.519 20 0 HCADHN CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000492632353 1077303712 /nfs/dbraw/zinc/30/37/12/1077303712.db2.gz UOTLLXJOZUQVJN-UYAOXDASSA-N 0 3 401.555 0.519 20 0 HCADHN CCCCN(C(=O)CN(C)CCCN1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000492708054 1077308224 /nfs/dbraw/zinc/30/82/24/1077308224.db2.gz VXGBDIQSHCUIGQ-GOSISDBHSA-N 0 3 402.605 0.372 20 0 HCADHN CCCCN(C(=O)CN(C)CCCN1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000492708060 1077308106 /nfs/dbraw/zinc/30/81/06/1077308106.db2.gz VXGBDIQSHCUIGQ-SFHVURJKSA-N 0 3 402.605 0.372 20 0 HCADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000492721881 1077310791 /nfs/dbraw/zinc/31/07/91/1077310791.db2.gz LUSIWFKHWQYJEB-UHFFFAOYSA-N 0 3 401.471 0.526 20 0 HCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000492722255 1077310643 /nfs/dbraw/zinc/31/06/43/1077310643.db2.gz NAZYPSSTKMZQAG-UHFFFAOYSA-N 0 3 412.512 0.069 20 0 HCADHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000492724885 1077311056 /nfs/dbraw/zinc/31/10/56/1077311056.db2.gz VGPLWHSTZYMGNW-UHFFFAOYSA-N 0 3 420.510 0.953 20 0 HCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)cc1 ZINC000492743802 1077311071 /nfs/dbraw/zinc/31/10/71/1077311071.db2.gz GRVYRHCGQOMTBY-UHFFFAOYSA-N 0 3 412.512 0.614 20 0 HCADHN C[C@H](NC(=O)CNC(=O)CN(C)CCCN1CCN(C)CC1)c1ccc(F)cc1 ZINC000492758214 1077312717 /nfs/dbraw/zinc/31/27/17/1077312717.db2.gz UBRBCUJNTWDIAN-KRWDZBQOSA-N 0 3 407.534 0.688 20 0 HCADHN C[C@@H](NC(=O)CNC(=O)CN(C)CCCN1CCN(C)CC1)c1ccc(F)cc1 ZINC000492758252 1077312761 /nfs/dbraw/zinc/31/27/61/1077312761.db2.gz UBRBCUJNTWDIAN-QGZVFWFLSA-N 0 3 407.534 0.688 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000492771385 1077314350 /nfs/dbraw/zinc/31/43/50/1077314350.db2.gz MHSCXXFVNIAOOL-HNNXBMFYSA-N 0 3 401.511 0.900 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000492771386 1077314380 /nfs/dbraw/zinc/31/43/80/1077314380.db2.gz MHSCXXFVNIAOOL-OAHLLOKOSA-N 0 3 401.511 0.900 20 0 HCADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)CCCN1CCN(C)CC1 ZINC000492782336 1077313343 /nfs/dbraw/zinc/31/33/43/1077313343.db2.gz GQQKAUVKHBJZNL-INIZCTEOSA-N 0 3 423.583 0.181 20 0 HCADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)CCCN1CCN(C)CC1 ZINC000492782337 1077313466 /nfs/dbraw/zinc/31/34/66/1077313466.db2.gz GQQKAUVKHBJZNL-MRXNPFEDSA-N 0 3 423.583 0.181 20 0 HCADHN CN(CCCN1CCN(C)CC1)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000492783186 1077313492 /nfs/dbraw/zinc/31/34/92/1077313492.db2.gz KLMDFQKNASYFBN-UHFFFAOYSA-N 0 3 400.520 0.737 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2F)CC1 ZINC000492819351 1077315517 /nfs/dbraw/zinc/31/55/17/1077315517.db2.gz RJVAVIGGDACPHH-AWEZNQCLSA-N 0 3 408.474 0.941 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2F)CC1 ZINC000492819352 1077315486 /nfs/dbraw/zinc/31/54/86/1077315486.db2.gz RJVAVIGGDACPHH-CQSZACIVSA-N 0 3 408.474 0.941 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000492848300 1077316600 /nfs/dbraw/zinc/31/66/00/1077316600.db2.gz UTRMEMQWFQBJMR-KRWDZBQOSA-N 0 3 415.494 0.569 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000492848301 1077316759 /nfs/dbraw/zinc/31/67/59/1077316759.db2.gz UTRMEMQWFQBJMR-QGZVFWFLSA-N 0 3 415.494 0.569 20 0 HCADHN CCCN(C(=O)[C@@H](C)N(C)CCCN1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000492849494 1077317281 /nfs/dbraw/zinc/31/72/81/1077317281.db2.gz CHELKTTZLCYPSJ-MSOLQXFVSA-N 0 3 402.605 0.370 20 0 HCADHN CCCN(C(=O)[C@@H](C)N(C)CCCN1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000492849495 1077317430 /nfs/dbraw/zinc/31/74/30/1077317430.db2.gz CHELKTTZLCYPSJ-QZTJIDSGSA-N 0 3 402.605 0.370 20 0 HCADHN CCCN(C(=O)[C@H](C)N(C)CCCN1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000492849496 1077317495 /nfs/dbraw/zinc/31/74/95/1077317495.db2.gz CHELKTTZLCYPSJ-ROUUACIJSA-N 0 3 402.605 0.370 20 0 HCADHN CCCN(C(=O)[C@H](C)N(C)CCCN1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000492849497 1077317318 /nfs/dbraw/zinc/31/73/18/1077317318.db2.gz CHELKTTZLCYPSJ-ZWKOTPCHSA-N 0 3 402.605 0.370 20 0 HCADHN CN(CCCN1CCN(C)CC1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000492854097 1077317404 /nfs/dbraw/zinc/31/74/04/1077317404.db2.gz STKSCXNHLCHPPX-UHFFFAOYSA-N 0 3 417.963 0.495 20 0 HCADHN CN(CCCN1CCN(C)CC1)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000492854380 1077317357 /nfs/dbraw/zinc/31/73/57/1077317357.db2.gz UMOCCNTUKCGENQ-UHFFFAOYSA-N 0 3 411.572 0.445 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)CN(C)CCCN2CCN(C)CC2)ccc1C ZINC000492913126 1077319215 /nfs/dbraw/zinc/31/92/15/1077319215.db2.gz RDDBGNMKXMJCPZ-UHFFFAOYSA-N 0 3 411.572 0.411 20 0 HCADHN CN(CCCN1CCN(C)CC1)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000492934366 1077319721 /nfs/dbraw/zinc/31/97/21/1077319721.db2.gz BPGDMHOMNIOSLZ-UHFFFAOYSA-N 0 3 406.922 0.824 20 0 HCADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN(C)CCCN2CCN(C)CC2)c1 ZINC000492935928 1077319588 /nfs/dbraw/zinc/31/95/88/1077319588.db2.gz IGAAQJZHAYZFHV-UHFFFAOYSA-N 0 3 404.494 0.618 20 0 HCADHN CC(C)CN(C(=O)CN(C)CCCN1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000492957801 1077320463 /nfs/dbraw/zinc/32/04/63/1077320463.db2.gz XMRLBYCKRFCJTE-GOSISDBHSA-N 0 3 402.605 0.227 20 0 HCADHN CC(C)CN(C(=O)CN(C)CCCN1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000492957804 1077320656 /nfs/dbraw/zinc/32/06/56/1077320656.db2.gz XMRLBYCKRFCJTE-SFHVURJKSA-N 0 3 402.605 0.227 20 0 HCADHN O=C([C@@H]1CCCN1C1CC1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000493036840 1077322712 /nfs/dbraw/zinc/32/27/12/1077322712.db2.gz WURPQKSIHCXMSI-KRWDZBQOSA-N 0 3 419.507 0.728 20 0 HCADHN O=C([C@H]1CCCN1C1CC1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000493036841 1077322808 /nfs/dbraw/zinc/32/28/08/1077322808.db2.gz WURPQKSIHCXMSI-QGZVFWFLSA-N 0 3 419.507 0.728 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](O)CC3)c2)CC1 ZINC000493203539 1077328720 /nfs/dbraw/zinc/32/87/20/1077328720.db2.gz UHCDBDYTKUMNJY-GOSISDBHSA-N 0 3 402.495 0.696 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H](O)CC3)c2)CC1 ZINC000493203541 1077328681 /nfs/dbraw/zinc/32/86/81/1077328681.db2.gz UHCDBDYTKUMNJY-SFHVURJKSA-N 0 3 402.495 0.696 20 0 HCADHN Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)c1 ZINC000493217142 1077329292 /nfs/dbraw/zinc/32/92/92/1077329292.db2.gz QWRQCHVWYHGPOL-FQEVSTJZSA-N 0 3 400.523 0.743 20 0 HCADHN Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)c1 ZINC000493217216 1077329235 /nfs/dbraw/zinc/32/92/35/1077329235.db2.gz QWRQCHVWYHGPOL-HXUWFJFHSA-N 0 3 400.523 0.743 20 0 HCADHN C[C@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)N1CCN(C)CC1 ZINC000493233351 1077330077 /nfs/dbraw/zinc/33/00/77/1077330077.db2.gz UHGPVHSXHXKTCT-GOSISDBHSA-N 0 3 401.555 0.764 20 0 HCADHN C[C@@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)N1CCN(C)CC1 ZINC000493233352 1077330003 /nfs/dbraw/zinc/33/00/03/1077330003.db2.gz UHGPVHSXHXKTCT-SFHVURJKSA-N 0 3 401.555 0.764 20 0 HCADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC000493281574 1077339161 /nfs/dbraw/zinc/33/91/61/1077339161.db2.gz QKVVJJBQIVEODK-HNNXBMFYSA-N 0 3 417.553 0.954 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@@H]4CCN(C)C[C@H]43)CC2)cc1 ZINC000493316351 1077340038 /nfs/dbraw/zinc/34/00/38/1077340038.db2.gz APHJQPQTCPIEKX-AZUAARDMSA-N 0 3 420.579 0.854 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)CC2)cc1 ZINC000493316354 1077340181 /nfs/dbraw/zinc/34/01/81/1077340181.db2.gz APHJQPQTCPIEKX-ICSRJNTNSA-N 0 3 420.579 0.854 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@H]4CCN(C)C[C@@H]43)CC2)cc1 ZINC000493316357 1077340119 /nfs/dbraw/zinc/34/01/19/1077340119.db2.gz APHJQPQTCPIEKX-QUCCMNQESA-N 0 3 420.579 0.854 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@H]4CCN(C)C[C@H]43)CC2)cc1 ZINC000493316359 1077340133 /nfs/dbraw/zinc/34/01/33/1077340133.db2.gz APHJQPQTCPIEKX-UYAOXDASSA-N 0 3 420.579 0.854 20 0 HCADHN COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000493354187 1077340803 /nfs/dbraw/zinc/34/08/03/1077340803.db2.gz BWWCIZPVINAOAH-MSOLQXFVSA-N 0 3 420.510 0.305 20 0 HCADHN COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000493354188 1077340769 /nfs/dbraw/zinc/34/07/69/1077340769.db2.gz BWWCIZPVINAOAH-QZTJIDSGSA-N 0 3 420.510 0.305 20 0 HCADHN COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000493354189 1077340901 /nfs/dbraw/zinc/34/09/01/1077340901.db2.gz BWWCIZPVINAOAH-ROUUACIJSA-N 0 3 420.510 0.305 20 0 HCADHN COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000493354190 1077340860 /nfs/dbraw/zinc/34/08/60/1077340860.db2.gz BWWCIZPVINAOAH-ZWKOTPCHSA-N 0 3 420.510 0.305 20 0 HCADHN CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N(C)C ZINC000493360902 1077341455 /nfs/dbraw/zinc/34/14/55/1077341455.db2.gz KHWOFNPHKGVSDK-SFHVURJKSA-N 0 3 411.524 0.877 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1)[C@H]1CCCN(C)C1 ZINC000493379307 1077344444 /nfs/dbraw/zinc/34/44/44/1077344444.db2.gz CJIYDJPIOWYBMJ-IPELMVKDSA-N 0 3 414.506 0.845 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1)[C@@H]1CCCN(C)C1 ZINC000493379310 1077344409 /nfs/dbraw/zinc/34/44/09/1077344409.db2.gz CJIYDJPIOWYBMJ-KFKAGJAMSA-N 0 3 414.506 0.845 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H](CO)SC)cc2)CC1 ZINC000493382360 1077344274 /nfs/dbraw/zinc/34/42/74/1077344274.db2.gz IBHAOZBLFYFJAV-CRAIPNDOSA-N 0 3 408.568 0.991 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](CO)SC)cc2)CC1 ZINC000493382361 1077344425 /nfs/dbraw/zinc/34/44/25/1077344425.db2.gz IBHAOZBLFYFJAV-MAUKXSAKSA-N 0 3 408.568 0.991 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)[C@H](CO)SC)cc2)CC1 ZINC000493382362 1077344474 /nfs/dbraw/zinc/34/44/74/1077344474.db2.gz IBHAOZBLFYFJAV-QAPCUYQASA-N 0 3 408.568 0.991 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H](CO)SC)cc2)CC1 ZINC000493382363 1077344607 /nfs/dbraw/zinc/34/46/07/1077344607.db2.gz IBHAOZBLFYFJAV-YJBOKZPZSA-N 0 3 408.568 0.991 20 0 HCADHN C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000493387010 1077345074 /nfs/dbraw/zinc/34/50/74/1077345074.db2.gz PNDCZSMJLMNZKC-BBRMVZONSA-N 0 3 403.483 0.171 20 0 HCADHN C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000493387016 1077344961 /nfs/dbraw/zinc/34/49/61/1077344961.db2.gz PNDCZSMJLMNZKC-CJNGLKHVSA-N 0 3 403.483 0.171 20 0 HCADHN C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000493387017 1077345039 /nfs/dbraw/zinc/34/50/39/1077345039.db2.gz PNDCZSMJLMNZKC-CZUORRHYSA-N 0 3 403.483 0.171 20 0 HCADHN C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000493387018 1077344888 /nfs/dbraw/zinc/34/48/88/1077344888.db2.gz PNDCZSMJLMNZKC-XJKSGUPXSA-N 0 3 403.483 0.171 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](CCO)CSC)cc2)CC1 ZINC000493388789 1077345092 /nfs/dbraw/zinc/34/50/92/1077345092.db2.gz RVRKDYVARCSXLS-GOSISDBHSA-N 0 3 408.568 0.993 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](CCO)CSC)cc2)CC1 ZINC000493388791 1077344943 /nfs/dbraw/zinc/34/49/43/1077344943.db2.gz RVRKDYVARCSXLS-SFHVURJKSA-N 0 3 408.568 0.993 20 0 HCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000493408997 1077345944 /nfs/dbraw/zinc/34/59/44/1077345944.db2.gz KTELALXDKWJVPQ-PBHICJAKSA-N 0 3 409.508 0.694 20 0 HCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000493408998 1077346250 /nfs/dbraw/zinc/34/62/50/1077346250.db2.gz KTELALXDKWJVPQ-RHSMWYFYSA-N 0 3 409.508 0.694 20 0 HCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000493408999 1077346328 /nfs/dbraw/zinc/34/63/28/1077346328.db2.gz KTELALXDKWJVPQ-WMLDXEAASA-N 0 3 409.508 0.694 20 0 HCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000493409000 1077346264 /nfs/dbraw/zinc/34/62/64/1077346264.db2.gz KTELALXDKWJVPQ-YOEHRIQHSA-N 0 3 409.508 0.694 20 0 HCADHN COc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1OC ZINC000493437683 1077348899 /nfs/dbraw/zinc/34/88/99/1077348899.db2.gz HHRBLYKQCCVECG-GDBMZVCRSA-N 0 3 411.524 0.925 20 0 HCADHN COc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1OC ZINC000493437686 1077348995 /nfs/dbraw/zinc/34/89/95/1077348995.db2.gz HHRBLYKQCCVECG-GOEBONIOSA-N 0 3 411.524 0.925 20 0 HCADHN COc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1OC ZINC000493437687 1077349174 /nfs/dbraw/zinc/34/91/74/1077349174.db2.gz HHRBLYKQCCVECG-HOCLYGCPSA-N 0 3 411.524 0.925 20 0 HCADHN COc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1OC ZINC000493437688 1077349092 /nfs/dbraw/zinc/34/90/92/1077349092.db2.gz HHRBLYKQCCVECG-ZBFHGGJFSA-N 0 3 411.524 0.925 20 0 HCADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCN3CCCC3)c2)CC1 ZINC000493439141 1077347934 /nfs/dbraw/zinc/34/79/34/1077347934.db2.gz CAULTKOZCWKBPN-UHFFFAOYSA-N 0 3 408.524 0.365 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)[C@@H]2C1 ZINC000493440078 1077347985 /nfs/dbraw/zinc/34/79/85/1077347985.db2.gz QYLDDNKENFJBPJ-CKEIUWERSA-N 0 3 406.508 0.240 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)[C@H]2C1 ZINC000493440079 1077347880 /nfs/dbraw/zinc/34/78/80/1077347880.db2.gz QYLDDNKENFJBPJ-CPUCHLNUSA-N 0 3 406.508 0.240 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)[C@@H]2C1 ZINC000493440081 1077347958 /nfs/dbraw/zinc/34/79/58/1077347958.db2.gz QYLDDNKENFJBPJ-JKIFEVAISA-N 0 3 406.508 0.240 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)[C@H]2C1 ZINC000493440084 1077348200 /nfs/dbraw/zinc/34/82/00/1077348200.db2.gz QYLDDNKENFJBPJ-KEYYUXOJSA-N 0 3 406.508 0.240 20 0 HCADHN NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000493443488 1077348575 /nfs/dbraw/zinc/34/85/75/1077348575.db2.gz SKENNOHKEYSSPO-AZUAARDMSA-N 0 3 424.501 0.652 20 0 HCADHN NC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000493443489 1077348496 /nfs/dbraw/zinc/34/84/96/1077348496.db2.gz SKENNOHKEYSSPO-ICSRJNTNSA-N 0 3 424.501 0.652 20 0 HCADHN NC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000493443490 1077348512 /nfs/dbraw/zinc/34/85/12/1077348512.db2.gz SKENNOHKEYSSPO-QUCCMNQESA-N 0 3 424.501 0.652 20 0 HCADHN NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000493443491 1077348730 /nfs/dbraw/zinc/34/87/30/1077348730.db2.gz SKENNOHKEYSSPO-UYAOXDASSA-N 0 3 424.501 0.652 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000493467886 1077349320 /nfs/dbraw/zinc/34/93/20/1077349320.db2.gz UUSLXDXEJRLZLG-PBHICJAKSA-N 0 3 413.565 0.999 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000493467888 1077349425 /nfs/dbraw/zinc/34/94/25/1077349425.db2.gz UUSLXDXEJRLZLG-RHSMWYFYSA-N 0 3 413.565 0.999 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000493467890 1077349552 /nfs/dbraw/zinc/34/95/52/1077349552.db2.gz UUSLXDXEJRLZLG-WMLDXEAASA-N 0 3 413.565 0.999 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000493467891 1077349383 /nfs/dbraw/zinc/34/93/83/1077349383.db2.gz UUSLXDXEJRLZLG-YOEHRIQHSA-N 0 3 413.565 0.999 20 0 HCADHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000493503186 1077350966 /nfs/dbraw/zinc/35/09/66/1077350966.db2.gz MWJGGNAOZZAPIE-UHFFFAOYSA-N 0 3 404.492 0.863 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[S@@](=O)[C@@H](C)C3)cc2)CC1 ZINC000493505603 1077351203 /nfs/dbraw/zinc/35/12/03/1077351203.db2.gz XTZNQPZVSPRCQJ-DEXQXJORSA-N 0 3 406.552 0.742 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[S@](=O)[C@H](C)C3)cc2)CC1 ZINC000493505604 1077351243 /nfs/dbraw/zinc/35/12/43/1077351243.db2.gz XTZNQPZVSPRCQJ-HJWYETAXSA-N 0 3 406.552 0.742 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[S@](=O)[C@@H](C)C3)cc2)CC1 ZINC000493505605 1077351314 /nfs/dbraw/zinc/35/13/14/1077351314.db2.gz XTZNQPZVSPRCQJ-OLRZCDJHSA-N 0 3 406.552 0.742 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[S@@](=O)[C@H](C)C3)cc2)CC1 ZINC000493505606 1077351355 /nfs/dbraw/zinc/35/13/55/1077351355.db2.gz XTZNQPZVSPRCQJ-WVDZOPJMSA-N 0 3 406.552 0.742 20 0 HCADHN COc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1S(=O)(=O)N1CCOCC1 ZINC000493507588 1077353790 /nfs/dbraw/zinc/35/37/90/1077353790.db2.gz XNLZAYWNGFFLKP-DOTOQJQBSA-N 0 3 423.535 0.882 20 0 HCADHN COc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1S(=O)(=O)N1CCOCC1 ZINC000493507589 1077353823 /nfs/dbraw/zinc/35/38/23/1077353823.db2.gz XNLZAYWNGFFLKP-NVXWUHKLSA-N 0 3 423.535 0.882 20 0 HCADHN COc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1S(=O)(=O)N1CCOCC1 ZINC000493507590 1077353865 /nfs/dbraw/zinc/35/38/65/1077353865.db2.gz XNLZAYWNGFFLKP-RDJZCZTQSA-N 0 3 423.535 0.882 20 0 HCADHN COc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1S(=O)(=O)N1CCOCC1 ZINC000493507591 1077353753 /nfs/dbraw/zinc/35/37/53/1077353753.db2.gz XNLZAYWNGFFLKP-WBVHZDCISA-N 0 3 423.535 0.882 20 0 HCADHN NC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000493521950 1077352175 /nfs/dbraw/zinc/35/21/75/1077352175.db2.gz HLCHWBYPBWZLOY-HKUYNNGSSA-N 0 3 410.474 0.723 20 0 HCADHN NC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000493521953 1077352274 /nfs/dbraw/zinc/35/22/74/1077352274.db2.gz HLCHWBYPBWZLOY-IEBWSBKVSA-N 0 3 410.474 0.723 20 0 HCADHN NC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000493521955 1077352346 /nfs/dbraw/zinc/35/23/46/1077352346.db2.gz HLCHWBYPBWZLOY-MJGOQNOKSA-N 0 3 410.474 0.723 20 0 HCADHN NC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000493521957 1077352581 /nfs/dbraw/zinc/35/25/81/1077352581.db2.gz HLCHWBYPBWZLOY-PKOBYXMFSA-N 0 3 410.474 0.723 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[S@@]1=O ZINC000493540408 1077355168 /nfs/dbraw/zinc/35/51/68/1077355168.db2.gz AFTAVBJIJNOXTJ-ONSXPEOJSA-N 0 3 420.535 0.302 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[S@@]1=O ZINC000493540409 1077355243 /nfs/dbraw/zinc/35/52/43/1077355243.db2.gz AFTAVBJIJNOXTJ-MMEWPQADSA-N 0 3 420.535 0.302 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[S@]1=O ZINC000493540410 1077355221 /nfs/dbraw/zinc/35/52/21/1077355221.db2.gz AFTAVBJIJNOXTJ-MLNJSSBLSA-N 0 3 420.535 0.302 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[S@]1=O ZINC000493540411 1077355190 /nfs/dbraw/zinc/35/51/90/1077355190.db2.gz AFTAVBJIJNOXTJ-IZPCHGGPSA-N 0 3 420.535 0.302 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[S@@]1=O ZINC000493545581 1077355649 /nfs/dbraw/zinc/35/56/49/1077355649.db2.gz MGZVWIDMNNMZCE-YASQENCXSA-N 0 3 408.480 0.074 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[S@]1=O ZINC000493545591 1077355807 /nfs/dbraw/zinc/35/58/07/1077355807.db2.gz MGZVWIDMNNMZCE-PSBQPLHCSA-N 0 3 408.480 0.074 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[S@@]1=O ZINC000493545595 1077355830 /nfs/dbraw/zinc/35/58/30/1077355830.db2.gz MGZVWIDMNNMZCE-JNFKXCBWSA-N 0 3 408.480 0.074 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[S@]1=O ZINC000493545599 1077355940 /nfs/dbraw/zinc/35/59/40/1077355940.db2.gz MGZVWIDMNNMZCE-BODITIBLSA-N 0 3 408.480 0.074 20 0 HCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000493552586 1077354429 /nfs/dbraw/zinc/35/44/29/1077354429.db2.gz KSBPSOLFLKMFMY-CRAIPNDOSA-N 0 3 408.524 0.818 20 0 HCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000493552587 1077354551 /nfs/dbraw/zinc/35/45/51/1077354551.db2.gz KSBPSOLFLKMFMY-MAUKXSAKSA-N 0 3 408.524 0.818 20 0 HCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000493552588 1077354489 /nfs/dbraw/zinc/35/44/89/1077354489.db2.gz KSBPSOLFLKMFMY-QAPCUYQASA-N 0 3 408.524 0.818 20 0 HCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000493552589 1077354581 /nfs/dbraw/zinc/35/45/81/1077354581.db2.gz KSBPSOLFLKMFMY-YJBOKZPZSA-N 0 3 408.524 0.818 20 0 HCADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)s1 ZINC000493573527 1077354766 /nfs/dbraw/zinc/35/47/66/1077354766.db2.gz PHLJUBIAFUYNAU-DZGCQCFKSA-N 0 3 414.553 0.215 20 0 HCADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)s1 ZINC000493573531 1077354945 /nfs/dbraw/zinc/35/49/45/1077354945.db2.gz PHLJUBIAFUYNAU-HIFRSBDPSA-N 0 3 414.553 0.215 20 0 HCADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)s1 ZINC000493573533 1077354776 /nfs/dbraw/zinc/35/47/76/1077354776.db2.gz PHLJUBIAFUYNAU-UKRRQHHQSA-N 0 3 414.553 0.215 20 0 HCADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)s1 ZINC000493573535 1077354887 /nfs/dbraw/zinc/35/48/87/1077354887.db2.gz PHLJUBIAFUYNAU-ZFWWWQNUSA-N 0 3 414.553 0.215 20 0 HCADHN CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000493600928 1077356137 /nfs/dbraw/zinc/35/61/37/1077356137.db2.gz AEGNTVDKNYJLTG-AZUAARDMSA-N 0 3 424.501 0.984 20 0 HCADHN CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000493600929 1077356314 /nfs/dbraw/zinc/35/63/14/1077356314.db2.gz AEGNTVDKNYJLTG-ICSRJNTNSA-N 0 3 424.501 0.984 20 0 HCADHN CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000493600931 1077356208 /nfs/dbraw/zinc/35/62/08/1077356208.db2.gz AEGNTVDKNYJLTG-QUCCMNQESA-N 0 3 424.501 0.984 20 0 HCADHN CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000493600933 1077356277 /nfs/dbraw/zinc/35/62/77/1077356277.db2.gz AEGNTVDKNYJLTG-UYAOXDASSA-N 0 3 424.501 0.984 20 0 HCADHN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N[C@@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000493602825 1077356546 /nfs/dbraw/zinc/35/65/46/1077356546.db2.gz PKXFDGKMMCFPSG-IBGZPJMESA-N 0 3 421.523 0.855 20 0 HCADHN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N[C@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000493602826 1077356588 /nfs/dbraw/zinc/35/65/88/1077356588.db2.gz PKXFDGKMMCFPSG-LJQANCHMSA-N 0 3 421.523 0.855 20 0 HCADHN CCN1CCN(CC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C(=O)C1=O ZINC000493638055 1077359202 /nfs/dbraw/zinc/35/92/02/1077359202.db2.gz JZOHPXOHGOFTKJ-GOSISDBHSA-N 0 3 402.495 0.639 20 0 HCADHN CCN1CCN(CC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C(=O)C1=O ZINC000493638056 1077359269 /nfs/dbraw/zinc/35/92/69/1077359269.db2.gz JZOHPXOHGOFTKJ-SFHVURJKSA-N 0 3 402.495 0.639 20 0 HCADHN C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)[C@H](C)CO ZINC000493710004 1077363127 /nfs/dbraw/zinc/36/31/27/1077363127.db2.gz RQGGMVJVNSJFKA-IIDMSEBBSA-N 0 3 404.511 0.924 20 0 HCADHN C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)[C@H](C)CO ZINC000493710006 1077362935 /nfs/dbraw/zinc/36/29/35/1077362935.db2.gz RQGGMVJVNSJFKA-RKVPGOIHSA-N 0 3 404.511 0.924 20 0 HCADHN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000493710008 1077363017 /nfs/dbraw/zinc/36/30/17/1077363017.db2.gz RQGGMVJVNSJFKA-RVKKMQEKSA-N 0 3 404.511 0.924 20 0 HCADHN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000493710009 1077363054 /nfs/dbraw/zinc/36/30/54/1077363054.db2.gz RQGGMVJVNSJFKA-VKJFTORMSA-N 0 3 404.511 0.924 20 0 HCADHN CCn1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1=O ZINC000493840787 1077369518 /nfs/dbraw/zinc/36/95/18/1077369518.db2.gz DFSXYDBQHKXEGC-HKUYNNGSSA-N 0 3 412.490 0.806 20 0 HCADHN CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1=O ZINC000493840789 1077369682 /nfs/dbraw/zinc/36/96/82/1077369682.db2.gz DFSXYDBQHKXEGC-IEBWSBKVSA-N 0 3 412.490 0.806 20 0 HCADHN CCn1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1=O ZINC000493840791 1077369460 /nfs/dbraw/zinc/36/94/60/1077369460.db2.gz DFSXYDBQHKXEGC-MJGOQNOKSA-N 0 3 412.490 0.806 20 0 HCADHN CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1=O ZINC000493840793 1077369593 /nfs/dbraw/zinc/36/95/93/1077369593.db2.gz DFSXYDBQHKXEGC-PKOBYXMFSA-N 0 3 412.490 0.806 20 0 HCADHN CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000493852412 1077368920 /nfs/dbraw/zinc/36/89/20/1077368920.db2.gz XQIKVMZTLRKBGK-CXAGYDPISA-N 0 3 422.551 0.551 20 0 HCADHN CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000493852413 1077368880 /nfs/dbraw/zinc/36/88/80/1077368880.db2.gz XQIKVMZTLRKBGK-DYVFJYSZSA-N 0 3 422.551 0.551 20 0 HCADHN CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000493852414 1077368772 /nfs/dbraw/zinc/36/87/72/1077368772.db2.gz XQIKVMZTLRKBGK-GUYCJALGSA-N 0 3 422.551 0.551 20 0 HCADHN CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000493852415 1077368948 /nfs/dbraw/zinc/36/89/48/1077368948.db2.gz XQIKVMZTLRKBGK-SUMWQHHRSA-N 0 3 422.551 0.551 20 0 HCADHN CSC[C@H](CCO)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000493871325 1077370318 /nfs/dbraw/zinc/37/03/18/1077370318.db2.gz HCPBIWFREFWOLZ-KRWDZBQOSA-N 0 3 422.551 0.553 20 0 HCADHN CSC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000493871326 1077370278 /nfs/dbraw/zinc/37/02/78/1077370278.db2.gz HCPBIWFREFWOLZ-QGZVFWFLSA-N 0 3 422.551 0.553 20 0 HCADHN CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000493881140 1077371116 /nfs/dbraw/zinc/37/11/16/1077371116.db2.gz CPQVIKGVYAPYAJ-CYBMUJFWSA-N 0 3 410.496 0.325 20 0 HCADHN CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000493881141 1077370991 /nfs/dbraw/zinc/37/09/91/1077370991.db2.gz CPQVIKGVYAPYAJ-ZDUSSCGKSA-N 0 3 410.496 0.325 20 0 HCADHN CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000493882952 1077371274 /nfs/dbraw/zinc/37/12/74/1077371274.db2.gz KRUCXBXHROWFTR-ABAIWWIYSA-N 0 3 410.496 0.323 20 0 HCADHN CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000493882953 1077371383 /nfs/dbraw/zinc/37/13/83/1077371383.db2.gz KRUCXBXHROWFTR-IAQYHMDHSA-N 0 3 410.496 0.323 20 0 HCADHN CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000493882954 1077371374 /nfs/dbraw/zinc/37/13/74/1077371374.db2.gz KRUCXBXHROWFTR-NHYWBVRUSA-N 0 3 410.496 0.323 20 0 HCADHN CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000493882955 1077371303 /nfs/dbraw/zinc/37/13/03/1077371303.db2.gz KRUCXBXHROWFTR-XHDPSFHLSA-N 0 3 410.496 0.323 20 0 HCADHN CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000493888660 1077372161 /nfs/dbraw/zinc/37/21/61/1077372161.db2.gz OPJPWKMYRAAMHV-AZUAARDMSA-N 0 3 424.501 0.984 20 0 HCADHN CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000493888661 1077372001 /nfs/dbraw/zinc/37/20/01/1077372001.db2.gz OPJPWKMYRAAMHV-ICSRJNTNSA-N 0 3 424.501 0.984 20 0 HCADHN CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000493888662 1077372077 /nfs/dbraw/zinc/37/20/77/1077372077.db2.gz OPJPWKMYRAAMHV-QUCCMNQESA-N 0 3 424.501 0.984 20 0 HCADHN CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000493888663 1077372214 /nfs/dbraw/zinc/37/22/14/1077372214.db2.gz OPJPWKMYRAAMHV-UYAOXDASSA-N 0 3 424.501 0.984 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)cc1 ZINC000493911424 1077373345 /nfs/dbraw/zinc/37/33/45/1077373345.db2.gz PGZBUKHRRXJRMD-IBGZPJMESA-N 0 3 422.551 0.308 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)cc1 ZINC000493911425 1077373218 /nfs/dbraw/zinc/37/32/18/1077373218.db2.gz PGZBUKHRRXJRMD-LJQANCHMSA-N 0 3 422.551 0.308 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493919963 1077380277 /nfs/dbraw/zinc/38/02/77/1077380277.db2.gz LHWCCBLAIYHYSR-HNNXBMFYSA-N 0 3 413.544 0.198 20 0 HCADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000493938814 1077378655 /nfs/dbraw/zinc/37/86/55/1077378655.db2.gz FZMWDUWRUFIOTO-KSZLIROESA-N 0 3 405.520 0.413 20 0 HCADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000493938815 1077378579 /nfs/dbraw/zinc/37/85/79/1077378579.db2.gz FZMWDUWRUFIOTO-KURKYZTESA-N 0 3 405.520 0.413 20 0 HCADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000493938816 1077378515 /nfs/dbraw/zinc/37/85/15/1077378515.db2.gz FZMWDUWRUFIOTO-KZNAEPCWSA-N 0 3 405.520 0.413 20 0 HCADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000493938817 1077378614 /nfs/dbraw/zinc/37/86/14/1077378614.db2.gz FZMWDUWRUFIOTO-RCCFBDPRSA-N 0 3 405.520 0.413 20 0 HCADHN CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000493946851 1077379950 /nfs/dbraw/zinc/37/99/50/1077379950.db2.gz MKNXIMMNTDBUAP-HNNXBMFYSA-N 0 3 414.466 0.285 20 0 HCADHN CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000493946852 1077379883 /nfs/dbraw/zinc/37/98/83/1077379883.db2.gz MKNXIMMNTDBUAP-OAHLLOKOSA-N 0 3 414.466 0.285 20 0 HCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000493954438 1077381785 /nfs/dbraw/zinc/38/17/85/1077381785.db2.gz FXUCCUBCGZXLLU-GOSISDBHSA-N 0 3 411.510 0.966 20 0 HCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000493954439 1077381664 /nfs/dbraw/zinc/38/16/64/1077381664.db2.gz FXUCCUBCGZXLLU-SFHVURJKSA-N 0 3 411.510 0.966 20 0 HCADHN CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)cc1 ZINC000493966480 1077383110 /nfs/dbraw/zinc/38/31/10/1077383110.db2.gz IPUHKOAJEGOMPY-FQEVSTJZSA-N 0 3 415.538 0.558 20 0 HCADHN CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)cc1 ZINC000493966481 1077382969 /nfs/dbraw/zinc/38/29/69/1077382969.db2.gz IPUHKOAJEGOMPY-HXUWFJFHSA-N 0 3 415.538 0.558 20 0 HCADHN C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000494019303 1077388971 /nfs/dbraw/zinc/38/89/71/1077388971.db2.gz STWWTYXHKYTBEH-BBRMVZONSA-N 0 3 419.507 0.171 20 0 HCADHN C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000494019304 1077388953 /nfs/dbraw/zinc/38/89/53/1077388953.db2.gz STWWTYXHKYTBEH-CJNGLKHVSA-N 0 3 419.507 0.171 20 0 HCADHN C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000494019305 1077389032 /nfs/dbraw/zinc/38/90/32/1077389032.db2.gz STWWTYXHKYTBEH-CZUORRHYSA-N 0 3 419.507 0.171 20 0 HCADHN C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000494019306 1077389063 /nfs/dbraw/zinc/38/90/63/1077389063.db2.gz STWWTYXHKYTBEH-XJKSGUPXSA-N 0 3 419.507 0.171 20 0 HCADHN C[C@@H]1[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1Cc1ccccc1 ZINC000494037851 1077395407 /nfs/dbraw/zinc/39/54/07/1077395407.db2.gz LVYNMKPCHFQBNR-GDBMZVCRSA-N 0 3 410.478 0.213 20 0 HCADHN C[C@H]1[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1Cc1ccccc1 ZINC000494037852 1077395347 /nfs/dbraw/zinc/39/53/47/1077395347.db2.gz LVYNMKPCHFQBNR-GOEBONIOSA-N 0 3 410.478 0.213 20 0 HCADHN C[C@H]1[C@@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1Cc1ccccc1 ZINC000494037853 1077395173 /nfs/dbraw/zinc/39/51/73/1077395173.db2.gz LVYNMKPCHFQBNR-HOCLYGCPSA-N 0 3 410.478 0.213 20 0 HCADHN C[C@@H]1[C@@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1Cc1ccccc1 ZINC000494037854 1077395222 /nfs/dbraw/zinc/39/52/22/1077395222.db2.gz LVYNMKPCHFQBNR-ZBFHGGJFSA-N 0 3 410.478 0.213 20 0 HCADHN C[C@@H]1[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1Cc1ccccc1 ZINC000494045618 1077392051 /nfs/dbraw/zinc/39/20/51/1077392051.db2.gz BIRCVBGGMUOHBL-GDBMZVCRSA-N 0 3 410.478 0.213 20 0 HCADHN C[C@H]1[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1Cc1ccccc1 ZINC000494045619 1077392171 /nfs/dbraw/zinc/39/21/71/1077392171.db2.gz BIRCVBGGMUOHBL-GOEBONIOSA-N 0 3 410.478 0.213 20 0 HCADHN C[C@H]1[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1Cc1ccccc1 ZINC000494045620 1077392022 /nfs/dbraw/zinc/39/20/22/1077392022.db2.gz BIRCVBGGMUOHBL-HOCLYGCPSA-N 0 3 410.478 0.213 20 0 HCADHN C[C@@H]1[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1Cc1ccccc1 ZINC000494045621 1077392144 /nfs/dbraw/zinc/39/21/44/1077392144.db2.gz BIRCVBGGMUOHBL-ZBFHGGJFSA-N 0 3 410.478 0.213 20 0 HCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494047220 1077392103 /nfs/dbraw/zinc/39/21/03/1077392103.db2.gz HWNFEKYTTXEXIO-AEFFLSMTSA-N 0 3 424.567 0.600 20 0 HCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494047221 1077391946 /nfs/dbraw/zinc/39/19/46/1077391946.db2.gz HWNFEKYTTXEXIO-FUHWJXTLSA-N 0 3 424.567 0.600 20 0 HCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494047222 1077391975 /nfs/dbraw/zinc/39/19/75/1077391975.db2.gz HWNFEKYTTXEXIO-SJLPKXTDSA-N 0 3 424.567 0.600 20 0 HCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494047224 1077392388 /nfs/dbraw/zinc/39/23/88/1077392388.db2.gz HWNFEKYTTXEXIO-WMZOPIPTSA-N 0 3 424.567 0.600 20 0 HCADHN C[C@@H]1[C@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCN1Cc1ccccc1 ZINC000494076542 1077399016 /nfs/dbraw/zinc/39/90/16/1077399016.db2.gz BPVXFKDYQAUDME-CRAIPNDOSA-N 0 3 409.490 0.818 20 0 HCADHN C[C@H]1[C@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCN1Cc1ccccc1 ZINC000494076543 1077399153 /nfs/dbraw/zinc/39/91/53/1077399153.db2.gz BPVXFKDYQAUDME-MAUKXSAKSA-N 0 3 409.490 0.818 20 0 HCADHN C[C@@H]1[C@@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCN1Cc1ccccc1 ZINC000494076544 1077399188 /nfs/dbraw/zinc/39/91/88/1077399188.db2.gz BPVXFKDYQAUDME-QAPCUYQASA-N 0 3 409.490 0.818 20 0 HCADHN C[C@H]1[C@@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCN1Cc1ccccc1 ZINC000494076545 1077398972 /nfs/dbraw/zinc/39/89/72/1077398972.db2.gz BPVXFKDYQAUDME-YJBOKZPZSA-N 0 3 409.490 0.818 20 0 HCADHN CCN1CCN(CCC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000494084061 1077400827 /nfs/dbraw/zinc/40/08/27/1077400827.db2.gz WCNGTTIEKCLQCG-NRFANRHFSA-N 0 3 413.566 0.964 20 0 HCADHN CCN1CCN(CCC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000494084062 1077400685 /nfs/dbraw/zinc/40/06/85/1077400685.db2.gz WCNGTTIEKCLQCG-OAQYLSRUSA-N 0 3 413.566 0.964 20 0 HCADHN CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000494137210 1077410902 /nfs/dbraw/zinc/41/09/02/1077410902.db2.gz PAODRYCQKNUMPS-HKUYNNGSSA-N 0 3 414.510 0.976 20 0 HCADHN CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000494137211 1077410626 /nfs/dbraw/zinc/41/06/26/1077410626.db2.gz PAODRYCQKNUMPS-IEBWSBKVSA-N 0 3 414.510 0.976 20 0 HCADHN CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000494137212 1077410443 /nfs/dbraw/zinc/41/04/43/1077410443.db2.gz PAODRYCQKNUMPS-MJGOQNOKSA-N 0 3 414.510 0.976 20 0 HCADHN CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000494137213 1077410762 /nfs/dbraw/zinc/41/07/62/1077410762.db2.gz PAODRYCQKNUMPS-PKOBYXMFSA-N 0 3 414.510 0.976 20 0 HCADHN C[C@H]1OCC[C@]1(C)NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494203211 1077441799 /nfs/dbraw/zinc/44/17/99/1077441799.db2.gz AYCLXQPTDPODOM-BEFAXECRSA-N 0 3 411.524 0.481 20 0 HCADHN C[C@H]1OCC[C@@]1(C)NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494203212 1077441684 /nfs/dbraw/zinc/44/16/84/1077441684.db2.gz AYCLXQPTDPODOM-DNVCBOLYSA-N 0 3 411.524 0.481 20 0 HCADHN C[C@@H]1OCC[C@@]1(C)NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494203213 1077441595 /nfs/dbraw/zinc/44/15/95/1077441595.db2.gz AYCLXQPTDPODOM-HNAYVOBHSA-N 0 3 411.524 0.481 20 0 HCADHN C[C@@H]1OCC[C@]1(C)NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494203214 1077441592 /nfs/dbraw/zinc/44/15/92/1077441592.db2.gz AYCLXQPTDPODOM-KXBFYZLASA-N 0 3 411.524 0.481 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000494218045 1077433433 /nfs/dbraw/zinc/43/34/33/1077433433.db2.gz ZNZUEMWGXVYGTG-GFCCVEGCSA-N 0 3 402.542 0.790 20 0 HCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000494219481 1077433736 /nfs/dbraw/zinc/43/37/36/1077433736.db2.gz JSVJAYARVXXRPG-INIZCTEOSA-N 0 3 410.540 0.860 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000494219482 1077433381 /nfs/dbraw/zinc/43/33/81/1077433381.db2.gz JSVJAYARVXXRPG-MRXNPFEDSA-N 0 3 410.540 0.860 20 0 HCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000494221694 1077444831 /nfs/dbraw/zinc/44/48/31/1077444831.db2.gz ZNZUEMWGXVYGTG-LBPRGKRZSA-N 0 3 402.542 0.790 20 0 HCADHN COCCN(C(=O)CN[C@]1(C)CCO[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494223798 1077453719 /nfs/dbraw/zinc/45/37/19/1077453719.db2.gz OUHGBVYPSJLEGO-BFUOFWGJSA-N 0 3 411.503 0.324 20 0 HCADHN COCCN(C(=O)CN[C@@]1(C)CCO[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494223799 1077453918 /nfs/dbraw/zinc/45/39/18/1077453918.db2.gz OUHGBVYPSJLEGO-DJJJIMSYSA-N 0 3 411.503 0.324 20 0 HCADHN COCCN(C(=O)CN[C@]1(C)CCO[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494223800 1077453846 /nfs/dbraw/zinc/45/38/46/1077453846.db2.gz OUHGBVYPSJLEGO-ORAYPTAESA-N 0 3 411.503 0.324 20 0 HCADHN COCCN(C(=O)CN[C@@]1(C)CCO[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494223801 1077444182 /nfs/dbraw/zinc/44/41/82/1077444182.db2.gz OUHGBVYPSJLEGO-YJYMSZOUSA-N 0 3 411.503 0.324 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C(F)F)cc1)[C@@H]1CCCN(C)C1 ZINC000494223898 1077452273 /nfs/dbraw/zinc/45/22/73/1077452273.db2.gz PKZNJGSGXWNGAF-CABCVRRESA-N 0 3 412.437 0.534 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C(F)F)cc1)[C@H]1CCCN(C)C1 ZINC000494223899 1077451961 /nfs/dbraw/zinc/45/19/61/1077451961.db2.gz PKZNJGSGXWNGAF-GJZGRUSLSA-N 0 3 412.437 0.534 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)F)cc1)[C@@H]1CCCN(C)C1 ZINC000494223900 1077452018 /nfs/dbraw/zinc/45/20/18/1077452018.db2.gz PKZNJGSGXWNGAF-HUUCEWRRSA-N 0 3 412.437 0.534 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)F)cc1)[C@H]1CCCN(C)C1 ZINC000494223901 1077452082 /nfs/dbraw/zinc/45/20/82/1077452082.db2.gz PKZNJGSGXWNGAF-LSDHHAIUSA-N 0 3 412.437 0.534 20 0 HCADHN CN(C)Cc1ccc(N2CCN(C(=O)NC[C@H]3CN(C4CC4)CCO3)CC2)nc1 ZINC000494225682 1077459270 /nfs/dbraw/zinc/45/92/70/1077459270.db2.gz BVYHYVSCTYTULQ-IBGZPJMESA-N 0 3 402.543 0.838 20 0 HCADHN CN(C)Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN(C4CC4)CCO3)CC2)nc1 ZINC000494225683 1077459622 /nfs/dbraw/zinc/45/96/22/1077459622.db2.gz BVYHYVSCTYTULQ-LJQANCHMSA-N 0 3 402.543 0.838 20 0 HCADHN CCCCn1c(N)c(N(CCOC)C(=O)CN[C@]2(C)CCO[C@@H]2C)c(=O)[nH]c1=O ZINC000494228986 1077461515 /nfs/dbraw/zinc/46/15/15/1077461515.db2.gz ZESRXLXPYWXKSQ-BFUOFWGJSA-N 0 3 411.503 0.468 20 0 HCADHN CCCCn1c(N)c(N(CCOC)C(=O)CN[C@@]2(C)CCO[C@H]2C)c(=O)[nH]c1=O ZINC000494228987 1077461626 /nfs/dbraw/zinc/46/16/26/1077461626.db2.gz ZESRXLXPYWXKSQ-DJJJIMSYSA-N 0 3 411.503 0.468 20 0 HCADHN CCCCn1c(N)c(N(CCOC)C(=O)CN[C@]2(C)CCO[C@H]2C)c(=O)[nH]c1=O ZINC000494228988 1077461381 /nfs/dbraw/zinc/46/13/81/1077461381.db2.gz ZESRXLXPYWXKSQ-ORAYPTAESA-N 0 3 411.503 0.468 20 0 HCADHN CCCCn1c(N)c(N(CCOC)C(=O)CN[C@@]2(C)CCO[C@@H]2C)c(=O)[nH]c1=O ZINC000494228989 1077461605 /nfs/dbraw/zinc/46/16/05/1077461605.db2.gz ZESRXLXPYWXKSQ-YJYMSZOUSA-N 0 3 411.503 0.468 20 0 HCADHN CCS(=O)(=O)N1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000494229459 1077461552 /nfs/dbraw/zinc/46/15/52/1077461552.db2.gz CMSJXJPXUNLBII-HNNXBMFYSA-N 0 3 402.561 0.695 20 0 HCADHN CCS(=O)(=O)N1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000494229460 1077461449 /nfs/dbraw/zinc/46/14/49/1077461449.db2.gz CMSJXJPXUNLBII-OAHLLOKOSA-N 0 3 402.561 0.695 20 0 HCADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C[C@@H](C)O1 ZINC000494261855 1077479258 /nfs/dbraw/zinc/47/92/58/1077479258.db2.gz JEJBMRJGVNXJEI-BFYDXBDKSA-N 0 3 400.545 0.111 20 0 HCADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C[C@H](C)O1 ZINC000494261856 1077479465 /nfs/dbraw/zinc/47/94/65/1077479465.db2.gz JEJBMRJGVNXJEI-HLLBOEOZSA-N 0 3 400.545 0.111 20 0 HCADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C[C@@H](C)O1 ZINC000494261857 1077479087 /nfs/dbraw/zinc/47/90/87/1077479087.db2.gz JEJBMRJGVNXJEI-INMHGKMJSA-N 0 3 400.545 0.111 20 0 HCADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C[C@H](C)O1 ZINC000494261858 1077479195 /nfs/dbraw/zinc/47/91/95/1077479195.db2.gz JEJBMRJGVNXJEI-UXLLHSPISA-N 0 3 400.545 0.111 20 0 HCADHN C[C@H]1OCC[C@]1(C)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494282373 1077485636 /nfs/dbraw/zinc/48/56/36/1077485636.db2.gz NFEZGNBDVMAWHX-BEFAXECRSA-N 0 3 411.524 0.481 20 0 HCADHN C[C@H]1OCC[C@@]1(C)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494282374 1077485587 /nfs/dbraw/zinc/48/55/87/1077485587.db2.gz NFEZGNBDVMAWHX-DNVCBOLYSA-N 0 3 411.524 0.481 20 0 HCADHN C[C@@H]1OCC[C@@]1(C)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494282375 1077485753 /nfs/dbraw/zinc/48/57/53/1077485753.db2.gz NFEZGNBDVMAWHX-HNAYVOBHSA-N 0 3 411.524 0.481 20 0 HCADHN C[C@@H]1OCC[C@]1(C)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494282376 1077485735 /nfs/dbraw/zinc/48/57/35/1077485735.db2.gz NFEZGNBDVMAWHX-KXBFYZLASA-N 0 3 411.524 0.481 20 0 HCADHN Cc1cc(C(=O)NCCCCN2CCN(CCO)CC2)nn1-c1nc(C)cc(C)n1 ZINC000494298681 1077493350 /nfs/dbraw/zinc/49/33/50/1077493350.db2.gz QCUBHXAFIPKAPM-UHFFFAOYSA-N 0 3 415.542 0.707 20 0 HCADHN Cc1nc(Cn2cc(C(=O)NCc3ccc(CN4CCN(C)CC4)cc3)nn2)no1 ZINC000494323843 1077507589 /nfs/dbraw/zinc/50/75/89/1077507589.db2.gz XTCDKFGLICGYTF-UHFFFAOYSA-N 0 3 410.482 0.695 20 0 HCADHN NC(=O)c1cccc(NC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000494325914 1077508264 /nfs/dbraw/zinc/50/82/64/1077508264.db2.gz DMDKNWFTENLFNW-UHFFFAOYSA-N 0 3 410.474 0.997 20 0 HCADHN CCCCS(=O)(=O)N1CCC(C(=O)NC[C@H](C)N2CCN(CC)CC2)CC1 ZINC000494329409 1077498275 /nfs/dbraw/zinc/49/82/75/1077498275.db2.gz XUOZPCWUCIUUTK-KRWDZBQOSA-N 0 3 402.605 0.971 20 0 HCADHN CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)N2CCN(CC)CC2)CC1 ZINC000494329410 1077498307 /nfs/dbraw/zinc/49/83/07/1077498307.db2.gz XUOZPCWUCIUUTK-QGZVFWFLSA-N 0 3 402.605 0.971 20 0 HCADHN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1 ZINC000494342516 1077502194 /nfs/dbraw/zinc/50/21/94/1077502194.db2.gz YNDPUCWVSDFCPN-FQEVSTJZSA-N 0 3 417.554 0.288 20 0 HCADHN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1 ZINC000494342517 1077502867 /nfs/dbraw/zinc/50/28/67/1077502867.db2.gz YNDPUCWVSDFCPN-HXUWFJFHSA-N 0 3 417.554 0.288 20 0 HCADHN CCC1(O)CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000494344180 1077503498 /nfs/dbraw/zinc/50/34/98/1077503498.db2.gz BHXNMUFYVNKMNQ-UHFFFAOYSA-N 0 3 404.467 0.858 20 0 HCADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000494377307 1077522738 /nfs/dbraw/zinc/52/27/38/1077522738.db2.gz YAKACQYWFCKEJT-KRWDZBQOSA-N 0 3 403.570 0.900 20 0 HCADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000494377308 1077522477 /nfs/dbraw/zinc/52/24/77/1077522477.db2.gz YAKACQYWFCKEJT-QGZVFWFLSA-N 0 3 403.570 0.900 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cc3ccccc3n(C)c2=O)CC1 ZINC000494382905 1077524330 /nfs/dbraw/zinc/52/43/30/1077524330.db2.gz FQTRYHKDHUVAHF-IBGZPJMESA-N 0 3 411.506 0.987 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cc3ccccc3n(C)c2=O)CC1 ZINC000494382907 1077524727 /nfs/dbraw/zinc/52/47/27/1077524727.db2.gz FQTRYHKDHUVAHF-LJQANCHMSA-N 0 3 411.506 0.987 20 0 HCADHN COC(=O)C(C)(C)N1CCN(CCCN2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000494391918 1077534883 /nfs/dbraw/zinc/53/48/83/1077534883.db2.gz MGGHOCGWFFRNOT-UHFFFAOYSA-N 0 3 412.575 0.515 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000494406706 1077530024 /nfs/dbraw/zinc/53/00/24/1077530024.db2.gz QOWOFTWMLJIJBD-NRFANRHFSA-N 0 3 407.559 0.973 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000494406711 1077530089 /nfs/dbraw/zinc/53/00/89/1077530089.db2.gz QOWOFTWMLJIJBD-OAQYLSRUSA-N 0 3 407.559 0.973 20 0 HCADHN CC(C)(C(N)=O)N1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000494421127 1077540245 /nfs/dbraw/zinc/54/02/45/1077540245.db2.gz XOVZTLKSKMBFQU-UHFFFAOYSA-N 0 3 417.554 0.734 20 0 HCADHN Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3cccc(CN(C)C)c3)CCO2)n1 ZINC000494425431 1077536159 /nfs/dbraw/zinc/53/61/59/1077536159.db2.gz LYEZWWPFEYGKJS-GOSISDBHSA-N 0 3 400.483 0.823 20 0 HCADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN(C)C)c3)CCO2)n1 ZINC000494425434 1077535968 /nfs/dbraw/zinc/53/59/68/1077535968.db2.gz LYEZWWPFEYGKJS-SFHVURJKSA-N 0 3 400.483 0.823 20 0 HCADHN Cn1c2ccccc2cc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1=O ZINC000494426939 1077536793 /nfs/dbraw/zinc/53/67/93/1077536793.db2.gz RGGSAFJKWSJMNO-UHFFFAOYSA-N 0 3 411.506 0.988 20 0 HCADHN C[C@@]1(CO)CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000494428462 1077536748 /nfs/dbraw/zinc/53/67/48/1077536748.db2.gz VCXWYWICPQAVSL-AVRDEDQJSA-N 0 3 416.522 0.990 20 0 HCADHN C[C@@]1(CO)CCC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000494428464 1077536917 /nfs/dbraw/zinc/53/69/17/1077536917.db2.gz VCXWYWICPQAVSL-GCJKJVERSA-N 0 3 416.522 0.990 20 0 HCADHN C[C@]1(CO)CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000494428465 1077536770 /nfs/dbraw/zinc/53/67/70/1077536770.db2.gz VCXWYWICPQAVSL-PGRDOPGGSA-N 0 3 416.522 0.990 20 0 HCADHN C[C@]1(CO)CCC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000494428466 1077536895 /nfs/dbraw/zinc/53/68/95/1077536895.db2.gz VCXWYWICPQAVSL-XMSQKQJNSA-N 0 3 416.522 0.990 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@]3(C)CO)cc21 ZINC000494429149 1077537334 /nfs/dbraw/zinc/53/73/34/1077537334.db2.gz JLRLCUDWXUOUIT-JXFKEZNVSA-N 0 3 404.467 0.762 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@]3(C)CO)cc21 ZINC000494429153 1077537250 /nfs/dbraw/zinc/53/72/50/1077537250.db2.gz JLRLCUDWXUOUIT-OXJNMPFZSA-N 0 3 404.467 0.762 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@]3(C)CO)cc21 ZINC000494429155 1077537131 /nfs/dbraw/zinc/53/71/31/1077537131.db2.gz JLRLCUDWXUOUIT-OXQOHEQNSA-N 0 3 404.467 0.762 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@]3(C)CO)cc21 ZINC000494429156 1077537181 /nfs/dbraw/zinc/53/71/81/1077537181.db2.gz JLRLCUDWXUOUIT-UZLBHIALSA-N 0 3 404.467 0.762 20 0 HCADHN Cc1cc(N2CCN(C[C@H](C)O)CC2)nc([C@H](C)N2CCN(C[C@H](C)O)CC2)n1 ZINC000494432762 1077537957 /nfs/dbraw/zinc/53/79/57/1077537957.db2.gz USEVGMQJYCEHJV-FHWLQOOXSA-N 0 3 406.575 0.347 20 0 HCADHN Cc1cc(N2CCN(C[C@H](C)O)CC2)nc([C@@H](C)N2CCN(C[C@H](C)O)CC2)n1 ZINC000494432767 1077538224 /nfs/dbraw/zinc/53/82/24/1077538224.db2.gz USEVGMQJYCEHJV-GBESFXJTSA-N 0 3 406.575 0.347 20 0 HCADHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494450181 1077541865 /nfs/dbraw/zinc/54/18/65/1077541865.db2.gz CMFVFAYCRBGKNV-FXAWDEMLSA-N 0 3 423.535 0.481 20 0 HCADHN O=C(CN[C@H]1CCO[C@H]1C1CC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494450184 1077541794 /nfs/dbraw/zinc/54/17/94/1077541794.db2.gz CMFVFAYCRBGKNV-PXNSSMCTSA-N 0 3 423.535 0.481 20 0 HCADHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494450185 1077541923 /nfs/dbraw/zinc/54/19/23/1077541923.db2.gz CMFVFAYCRBGKNV-XLIONFOSSA-N 0 3 423.535 0.481 20 0 HCADHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000494450187 1077541707 /nfs/dbraw/zinc/54/17/07/1077541707.db2.gz CMFVFAYCRBGKNV-YLJYHZDGSA-N 0 3 423.535 0.481 20 0 HCADHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494451073 1077542330 /nfs/dbraw/zinc/54/23/30/1077542330.db2.gz GOKQTQZWXNSSBI-HKUYNNGSSA-N 0 3 409.508 0.803 20 0 HCADHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494451074 1077542326 /nfs/dbraw/zinc/54/23/26/1077542326.db2.gz GOKQTQZWXNSSBI-IEBWSBKVSA-N 0 3 409.508 0.803 20 0 HCADHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494451075 1077542188 /nfs/dbraw/zinc/54/21/88/1077542188.db2.gz GOKQTQZWXNSSBI-MJGOQNOKSA-N 0 3 409.508 0.803 20 0 HCADHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494451076 1077542282 /nfs/dbraw/zinc/54/22/82/1077542282.db2.gz GOKQTQZWXNSSBI-PKOBYXMFSA-N 0 3 409.508 0.803 20 0 HCADHN COc1ccc(CN2CCCN(C(=O)CN3CCN(C[C@H](C)O)CC3)CC2)cc1 ZINC000494468206 1077545090 /nfs/dbraw/zinc/54/50/90/1077545090.db2.gz SCUJSDOQTRBSCL-IBGZPJMESA-N 0 3 404.555 0.728 20 0 HCADHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494468370 1077544916 /nfs/dbraw/zinc/54/49/16/1077544916.db2.gz SKKDRLOAOMPAKF-HKUYNNGSSA-N 0 3 409.508 0.803 20 0 HCADHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494468373 1077544813 /nfs/dbraw/zinc/54/48/13/1077544813.db2.gz SKKDRLOAOMPAKF-IEBWSBKVSA-N 0 3 409.508 0.803 20 0 HCADHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494468376 1077545021 /nfs/dbraw/zinc/54/50/21/1077545021.db2.gz SKKDRLOAOMPAKF-MJGOQNOKSA-N 0 3 409.508 0.803 20 0 HCADHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494468379 1077544829 /nfs/dbraw/zinc/54/48/29/1077544829.db2.gz SKKDRLOAOMPAKF-PKOBYXMFSA-N 0 3 409.508 0.803 20 0 HCADHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494475387 1077546428 /nfs/dbraw/zinc/54/64/28/1077546428.db2.gz NXDWXRZKYREIMV-AZUAARDMSA-N 0 3 423.535 0.481 20 0 HCADHN O=C(CN[C@H]1CCO[C@H]1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494475388 1077546460 /nfs/dbraw/zinc/54/64/60/1077546460.db2.gz NXDWXRZKYREIMV-ICSRJNTNSA-N 0 3 423.535 0.481 20 0 HCADHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494475389 1077546360 /nfs/dbraw/zinc/54/63/60/1077546360.db2.gz NXDWXRZKYREIMV-QUCCMNQESA-N 0 3 423.535 0.481 20 0 HCADHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494475390 1077547203 /nfs/dbraw/zinc/54/72/03/1077547203.db2.gz NXDWXRZKYREIMV-UYAOXDASSA-N 0 3 423.535 0.481 20 0 HCADHN C[C@H](O)CN1CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000494475832 1077546413 /nfs/dbraw/zinc/54/64/13/1077546413.db2.gz NAPZMALLHLXJKT-KRWDZBQOSA-N 0 3 424.567 0.798 20 0 HCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000494477602 1077547073 /nfs/dbraw/zinc/54/70/73/1077547073.db2.gz RDXUYTOUEKVBGS-DOTOQJQBSA-N 0 3 416.588 0.305 20 0 HCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000494477605 1077547011 /nfs/dbraw/zinc/54/70/11/1077547011.db2.gz RDXUYTOUEKVBGS-NVXWUHKLSA-N 0 3 416.588 0.305 20 0 HCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000494477606 1077547100 /nfs/dbraw/zinc/54/71/00/1077547100.db2.gz RDXUYTOUEKVBGS-RDJZCZTQSA-N 0 3 416.588 0.305 20 0 HCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000494477608 1077547083 /nfs/dbraw/zinc/54/70/83/1077547083.db2.gz RDXUYTOUEKVBGS-WBVHZDCISA-N 0 3 416.588 0.305 20 0 HCADHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000494482803 1077548248 /nfs/dbraw/zinc/54/82/48/1077548248.db2.gz LYSQOXJHHPTBDA-KRWDZBQOSA-N 0 3 424.567 0.798 20 0 HCADHN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000494487597 1077548598 /nfs/dbraw/zinc/54/85/98/1077548598.db2.gz PUMBGOFZAIFILE-KRWDZBQOSA-N 0 3 401.485 0.303 20 0 HCADHN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000494487598 1077548582 /nfs/dbraw/zinc/54/85/82/1077548582.db2.gz PUMBGOFZAIFILE-QGZVFWFLSA-N 0 3 401.485 0.303 20 0 HCADHN COCCN(C(=O)CN[C@@H]1CCO[C@H]1C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494510674 1077553259 /nfs/dbraw/zinc/55/32/59/1077553259.db2.gz VTOFRVCSZDHTAB-PBHICJAKSA-N 0 3 423.514 0.324 20 0 HCADHN COCCN(C(=O)CN[C@@H]1CCO[C@@H]1C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494510675 1077553102 /nfs/dbraw/zinc/55/31/02/1077553102.db2.gz VTOFRVCSZDHTAB-RHSMWYFYSA-N 0 3 423.514 0.324 20 0 HCADHN COCCN(C(=O)CN[C@H]1CCO[C@@H]1C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494510676 1077552982 /nfs/dbraw/zinc/55/29/82/1077552982.db2.gz VTOFRVCSZDHTAB-WMLDXEAASA-N 0 3 423.514 0.324 20 0 HCADHN COCCN(C(=O)CN[C@H]1CCO[C@H]1C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494510679 1077553234 /nfs/dbraw/zinc/55/32/34/1077553234.db2.gz VTOFRVCSZDHTAB-YOEHRIQHSA-N 0 3 423.514 0.324 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@@H]3CCOC3)CC2)cc1 ZINC000494534718 1077553720 /nfs/dbraw/zinc/55/37/20/1077553720.db2.gz YGQVXQUSAWOGQS-INIZCTEOSA-N 0 3 411.524 0.496 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@H]3CCOC3)CC2)cc1 ZINC000494534719 1077554099 /nfs/dbraw/zinc/55/40/99/1077554099.db2.gz YGQVXQUSAWOGQS-MRXNPFEDSA-N 0 3 411.524 0.496 20 0 HCADHN CCS(=O)(=O)NCCN1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494540630 1077554816 /nfs/dbraw/zinc/55/48/16/1077554816.db2.gz CVLZWDKVKVCEOS-UHFFFAOYSA-N 0 3 410.584 0.886 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)C[C@@H]2CCOC2)CC1 ZINC000494543985 1077555745 /nfs/dbraw/zinc/55/57/45/1077555745.db2.gz SMBUQFNVCQULDM-HNNXBMFYSA-N 0 3 400.501 0.093 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)C[C@H]2CCOC2)CC1 ZINC000494543987 1077555835 /nfs/dbraw/zinc/55/58/35/1077555835.db2.gz SMBUQFNVCQULDM-OAHLLOKOSA-N 0 3 400.501 0.093 20 0 HCADHN C[C@H](O)CN1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000494570632 1077559677 /nfs/dbraw/zinc/55/96/77/1077559677.db2.gz PRLIMPVUNYALQZ-MOPGFXCFSA-N 0 3 419.574 0.475 20 0 HCADHN C[C@H](O)CN1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000494570633 1077559308 /nfs/dbraw/zinc/55/93/08/1077559308.db2.gz PRLIMPVUNYALQZ-OALUTQOASA-N 0 3 419.574 0.475 20 0 HCADHN C[C@@H](O)CN1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000494570634 1077559365 /nfs/dbraw/zinc/55/93/65/1077559365.db2.gz PRLIMPVUNYALQZ-RBUKOAKNSA-N 0 3 419.574 0.475 20 0 HCADHN C[C@@H](O)CN1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000494570635 1077559561 /nfs/dbraw/zinc/55/95/61/1077559561.db2.gz PRLIMPVUNYALQZ-RTBURBONSA-N 0 3 419.574 0.475 20 0 HCADHN CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H]1CCOC1 ZINC000494573630 1077559497 /nfs/dbraw/zinc/55/94/97/1077559497.db2.gz GQZLPFVPJDLPNK-APWZRJJASA-N 0 3 403.479 0.466 20 0 HCADHN CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@@H]1CCOC1 ZINC000494573631 1077559760 /nfs/dbraw/zinc/55/97/60/1077559760.db2.gz GQZLPFVPJDLPNK-LPHOPBHVSA-N 0 3 403.479 0.466 20 0 HCADHN CN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C[C@@H]1CCOC1 ZINC000494573632 1077559996 /nfs/dbraw/zinc/55/99/96/1077559996.db2.gz GQZLPFVPJDLPNK-QFBILLFUSA-N 0 3 403.479 0.466 20 0 HCADHN CN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C[C@H]1CCOC1 ZINC000494573633 1077560147 /nfs/dbraw/zinc/56/01/47/1077560147.db2.gz GQZLPFVPJDLPNK-VQIMIIECSA-N 0 3 403.479 0.466 20 0 HCADHN COCCN(C(=O)CN(C)C[C@@H]1CCOC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494575332 1077560295 /nfs/dbraw/zinc/56/02/95/1077560295.db2.gz RBUYBMVIQKJQSN-AWEZNQCLSA-N 0 3 411.503 0.135 20 0 HCADHN COCCN(C(=O)CN(C)C[C@H]1CCOC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494575333 1077559953 /nfs/dbraw/zinc/55/99/53/1077559953.db2.gz RBUYBMVIQKJQSN-CQSZACIVSA-N 0 3 411.503 0.135 20 0 HCADHN CN(CCNC(=O)C1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000494576438 1077561640 /nfs/dbraw/zinc/56/16/40/1077561640.db2.gz AHRZQQQEPXANPU-UHFFFAOYSA-N 0 3 402.539 0.805 20 0 HCADHN CNC(=O)Cc1noc(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC000494580276 1077562185 /nfs/dbraw/zinc/56/21/85/1077562185.db2.gz PFPCFIXNIHCCJO-KRWDZBQOSA-N 0 3 413.526 0.787 20 0 HCADHN CNC(=O)Cc1noc(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC000494580277 1077562041 /nfs/dbraw/zinc/56/20/41/1077562041.db2.gz PFPCFIXNIHCCJO-QGZVFWFLSA-N 0 3 413.526 0.787 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000494620404 1077573782 /nfs/dbraw/zinc/57/37/82/1077573782.db2.gz OAWJYCLBKPBSCW-GOSISDBHSA-N 0 3 422.551 0.456 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000494620405 1077574009 /nfs/dbraw/zinc/57/40/09/1077574009.db2.gz OAWJYCLBKPBSCW-SFHVURJKSA-N 0 3 422.551 0.456 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)c(C)c2)CC1 ZINC000494621085 1077574500 /nfs/dbraw/zinc/57/45/00/1077574500.db2.gz PXIBYSLMLXKXAN-INIZCTEOSA-N 0 3 422.551 0.769 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)c(C)c2)CC1 ZINC000494621086 1077574451 /nfs/dbraw/zinc/57/44/51/1077574451.db2.gz PXIBYSLMLXKXAN-MRXNPFEDSA-N 0 3 422.551 0.769 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)c(C)c2)CC1 ZINC000494652450 1077577704 /nfs/dbraw/zinc/57/77/04/1077577704.db2.gz IIRDUJOIGRJTAR-INIZCTEOSA-N 0 3 413.522 0.955 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)c(C)c2)CC1 ZINC000494652451 1077577660 /nfs/dbraw/zinc/57/76/60/1077577660.db2.gz IIRDUJOIGRJTAR-MRXNPFEDSA-N 0 3 413.522 0.955 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000494654022 1077585726 /nfs/dbraw/zinc/58/57/26/1077585726.db2.gz MEWMZKMCSLRVEZ-GOSISDBHSA-N 0 3 413.522 0.642 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000494654024 1077586104 /nfs/dbraw/zinc/58/61/04/1077586104.db2.gz MEWMZKMCSLRVEZ-SFHVURJKSA-N 0 3 413.522 0.642 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000494663039 1077580033 /nfs/dbraw/zinc/58/00/33/1077580033.db2.gz DEAPCJBHFDJLNP-GOSISDBHSA-N 0 3 417.558 0.493 20 0 HCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000494663040 1077580001 /nfs/dbraw/zinc/58/00/01/1077580001.db2.gz DEAPCJBHFDJLNP-SFHVURJKSA-N 0 3 417.558 0.493 20 0 HCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000494672512 1077583625 /nfs/dbraw/zinc/58/36/25/1077583625.db2.gz MKMJZKPVRGUYBR-INIZCTEOSA-N 0 3 406.531 0.666 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000494672517 1077583471 /nfs/dbraw/zinc/58/34/71/1077583471.db2.gz MKMJZKPVRGUYBR-MRXNPFEDSA-N 0 3 406.531 0.666 20 0 HCADHN CCCNC(=O)CN1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000494673263 1077584043 /nfs/dbraw/zinc/58/40/43/1077584043.db2.gz KKPMOHYDNLOKSJ-KRWDZBQOSA-N 0 3 409.575 0.872 20 0 HCADHN CCCNC(=O)CN1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000494673265 1077583887 /nfs/dbraw/zinc/58/38/87/1077583887.db2.gz KKPMOHYDNLOKSJ-QGZVFWFLSA-N 0 3 409.575 0.872 20 0 HCADHN C[C@H](O)CN1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000494677461 1077584751 /nfs/dbraw/zinc/58/47/51/1077584751.db2.gz ACWHZZNGFBQQFF-SFHVURJKSA-N 0 3 405.547 0.087 20 0 HCADHN CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000494681967 1077584791 /nfs/dbraw/zinc/58/47/91/1077584791.db2.gz NLLCXQRFMYTQJI-GOSISDBHSA-N 0 3 404.511 0.846 20 0 HCADHN CC(C)[C@H](CCO)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000494681968 1077584908 /nfs/dbraw/zinc/58/49/08/1077584908.db2.gz NLLCXQRFMYTQJI-SFHVURJKSA-N 0 3 404.511 0.846 20 0 HCADHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000494682693 1077585670 /nfs/dbraw/zinc/58/56/70/1077585670.db2.gz AVVHJFCRNNARLF-HNNXBMFYSA-N 0 3 404.467 0.760 20 0 HCADHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000494682694 1077585606 /nfs/dbraw/zinc/58/56/06/1077585606.db2.gz AVVHJFCRNNARLF-OAHLLOKOSA-N 0 3 404.467 0.760 20 0 HCADHN C[C@H](NC(=O)CNC(=O)CN1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000494683583 1077588334 /nfs/dbraw/zinc/58/83/34/1077588334.db2.gz FTNFXTVBEMCCOV-DLBZAZTESA-N 0 3 406.502 0.773 20 0 HCADHN C[C@@H](NC(=O)CNC(=O)CN1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000494683584 1077588355 /nfs/dbraw/zinc/58/83/55/1077588355.db2.gz FTNFXTVBEMCCOV-IAGOWNOFSA-N 0 3 406.502 0.773 20 0 HCADHN C[C@H](NC(=O)CNC(=O)CN1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000494683585 1077588101 /nfs/dbraw/zinc/58/81/01/1077588101.db2.gz FTNFXTVBEMCCOV-IRXDYDNUSA-N 0 3 406.502 0.773 20 0 HCADHN C[C@@H](NC(=O)CNC(=O)CN1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000494683586 1077588021 /nfs/dbraw/zinc/58/80/21/1077588021.db2.gz FTNFXTVBEMCCOV-SJORKVTESA-N 0 3 406.502 0.773 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)CN2CCN(C[C@@H]3CCOC3)CC2)ccc1C ZINC000494684752 1077588276 /nfs/dbraw/zinc/58/82/76/1077588276.db2.gz GEDKUSBXDOOLFM-INIZCTEOSA-N 0 3 410.540 0.496 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)CN2CCN(C[C@H]3CCOC3)CC2)ccc1C ZINC000494684755 1077588394 /nfs/dbraw/zinc/58/83/94/1077588394.db2.gz GEDKUSBXDOOLFM-MRXNPFEDSA-N 0 3 410.540 0.496 20 0 HCADHN COc1ccc(CN2CCN(C(=O)CN3CCN(C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000494685132 1077588878 /nfs/dbraw/zinc/58/88/78/1077588878.db2.gz IEUHDGSSCFJCDA-NRFANRHFSA-N 0 3 416.566 0.994 20 0 HCADHN COc1ccc(CN2CCN(C(=O)CN3CCN(C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000494685133 1077588618 /nfs/dbraw/zinc/58/86/18/1077588618.db2.gz IEUHDGSSCFJCDA-OAQYLSRUSA-N 0 3 416.566 0.994 20 0 HCADHN COc1cc(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)ccc1OCC(N)=O ZINC000494685313 1077588943 /nfs/dbraw/zinc/58/89/43/1077588943.db2.gz NAQUMHVIXYPPDE-HNNXBMFYSA-N 0 3 420.510 0.954 20 0 HCADHN COc1cc(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)ccc1OCC(N)=O ZINC000494685314 1077588967 /nfs/dbraw/zinc/58/89/67/1077588967.db2.gz NAQUMHVIXYPPDE-OAHLLOKOSA-N 0 3 420.510 0.954 20 0 HCADHN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000494686053 1077588373 /nfs/dbraw/zinc/58/83/73/1077588373.db2.gz AXIUKAGWPOTHLG-DLBZAZTESA-N 0 3 424.567 0.918 20 0 HCADHN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000494686054 1077588683 /nfs/dbraw/zinc/58/86/83/1077588683.db2.gz AXIUKAGWPOTHLG-IAGOWNOFSA-N 0 3 424.567 0.918 20 0 HCADHN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000494686055 1077588990 /nfs/dbraw/zinc/58/89/90/1077588990.db2.gz AXIUKAGWPOTHLG-IRXDYDNUSA-N 0 3 424.567 0.918 20 0 HCADHN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000494686056 1077588815 /nfs/dbraw/zinc/58/88/15/1077588815.db2.gz AXIUKAGWPOTHLG-SJORKVTESA-N 0 3 424.567 0.918 20 0 HCADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)NCc2ccncc2OCC[NH+](C)C)c1 ZINC000494687368 1077589492 /nfs/dbraw/zinc/58/94/92/1077589492.db2.gz QSINMGYLPFJYTF-UHFFFAOYSA-N 0 3 409.512 0.967 20 0 HCADHN COc1cc(OC)c(CNC(=O)CN2CCN(C[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000494689223 1077589398 /nfs/dbraw/zinc/58/93/98/1077589398.db2.gz JSOZBXWESXAVSY-INIZCTEOSA-N 0 3 407.511 0.983 20 0 HCADHN COc1cc(OC)c(CNC(=O)CN2CCN(C[C@H]3CCOC3)CC2)c(OC)c1 ZINC000494689224 1077589328 /nfs/dbraw/zinc/58/93/28/1077589328.db2.gz JSOZBXWESXAVSY-MRXNPFEDSA-N 0 3 407.511 0.983 20 0 HCADHN C[C@@H](O)CN1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000494694485 1077590601 /nfs/dbraw/zinc/59/06/01/1077590601.db2.gz ACWHZZNGFBQQFF-GOSISDBHSA-N 0 3 405.547 0.087 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCNC(=O)c2c(F)cccc2F)CC1 ZINC000494698899 1077590787 /nfs/dbraw/zinc/59/07/87/1077590787.db2.gz XYULTVVRHAYZKD-UHFFFAOYSA-N 0 3 423.464 0.644 20 0 HCADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000494703413 1077586622 /nfs/dbraw/zinc/58/66/22/1077586622.db2.gz MWNWQSHMRJIKKD-CVEARBPZSA-N 0 3 422.551 0.266 20 0 HCADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000494703414 1077586646 /nfs/dbraw/zinc/58/66/46/1077586646.db2.gz MWNWQSHMRJIKKD-HOTGVXAUSA-N 0 3 422.551 0.266 20 0 HCADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000494703415 1077586450 /nfs/dbraw/zinc/58/64/50/1077586450.db2.gz MWNWQSHMRJIKKD-HZPDHXFCSA-N 0 3 422.551 0.266 20 0 HCADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000494703416 1077586559 /nfs/dbraw/zinc/58/65/59/1077586559.db2.gz MWNWQSHMRJIKKD-JKSUJKDBSA-N 0 3 422.551 0.266 20 0 HCADHN Cc1ccc(NC(=O)CN2CCN(C[C@@H]3CCOC3)CC2)cc1S(=O)(=O)N(C)C ZINC000494703417 1077586781 /nfs/dbraw/zinc/58/67/81/1077586781.db2.gz MXBDEMVWKQTBPC-KRWDZBQOSA-N 0 3 424.567 0.838 20 0 HCADHN Cc1ccc(NC(=O)CN2CCN(C[C@H]3CCOC3)CC2)cc1S(=O)(=O)N(C)C ZINC000494703418 1077586470 /nfs/dbraw/zinc/58/64/70/1077586470.db2.gz MXBDEMVWKQTBPC-QGZVFWFLSA-N 0 3 424.567 0.838 20 0 HCADHN COC(=O)c1cc(NC(=O)CN2CCN(C[C@@H]3CCOC3)CC2)cc(C(=O)OC)c1 ZINC000494704619 1077587299 /nfs/dbraw/zinc/58/72/99/1077587299.db2.gz SUKYBUWYGBCYAX-HNNXBMFYSA-N 0 3 419.478 0.852 20 0 HCADHN COC(=O)c1cc(NC(=O)CN2CCN(C[C@H]3CCOC3)CC2)cc(C(=O)OC)c1 ZINC000494704620 1077587192 /nfs/dbraw/zinc/58/71/92/1077587192.db2.gz SUKYBUWYGBCYAX-OAHLLOKOSA-N 0 3 419.478 0.852 20 0 HCADHN CCN(CC(=O)NCc1cccs1)C(=O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000494704867 1077587170 /nfs/dbraw/zinc/58/71/70/1077587170.db2.gz UOKFJXRFJSLENW-KRWDZBQOSA-N 0 3 408.568 0.867 20 0 HCADHN CCN(CC(=O)NCc1cccs1)C(=O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000494704869 1077587020 /nfs/dbraw/zinc/58/70/20/1077587020.db2.gz UOKFJXRFJSLENW-QGZVFWFLSA-N 0 3 408.568 0.867 20 0 HCADHN COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000494706217 1077587934 /nfs/dbraw/zinc/58/79/34/1077587934.db2.gz AKLVGJQUEPVHBP-KRWDZBQOSA-N 0 3 404.511 0.558 20 0 HCADHN COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000494706218 1077588292 /nfs/dbraw/zinc/58/82/92/1077588292.db2.gz AKLVGJQUEPVHBP-QGZVFWFLSA-N 0 3 404.511 0.558 20 0 HCADHN COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000494707898 1077587260 /nfs/dbraw/zinc/58/72/60/1077587260.db2.gz HYBVTTXCRZPSRE-KRWDZBQOSA-N 0 3 404.511 0.746 20 0 HCADHN COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000494707899 1077587041 /nfs/dbraw/zinc/58/70/41/1077587041.db2.gz HYBVTTXCRZPSRE-QGZVFWFLSA-N 0 3 404.511 0.746 20 0 HCADHN CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000494714135 1077596687 /nfs/dbraw/zinc/59/66/87/1077596687.db2.gz ZDNSZVNSUVETDK-HNNXBMFYSA-N 0 3 410.540 0.989 20 0 HCADHN CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000494714137 1077597579 /nfs/dbraw/zinc/59/75/79/1077597579.db2.gz ZDNSZVNSUVETDK-OAHLLOKOSA-N 0 3 410.540 0.989 20 0 HCADHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)NCc1ccccc1CN1CCOCC1 ZINC000494717653 1077597962 /nfs/dbraw/zinc/59/79/62/1077597962.db2.gz KBGOLAQNNFAFFY-FQEVSTJZSA-N 0 3 416.566 0.789 20 0 HCADHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)NCc1ccccc1CN1CCOCC1 ZINC000494717654 1077598047 /nfs/dbraw/zinc/59/80/47/1077598047.db2.gz KBGOLAQNNFAFFY-HXUWFJFHSA-N 0 3 416.566 0.789 20 0 HCADHN COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000494717843 1077597744 /nfs/dbraw/zinc/59/77/44/1077597744.db2.gz LLAXGHQYHJFPLQ-KRWDZBQOSA-N 0 3 404.511 0.712 20 0 HCADHN COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000494717844 1077597702 /nfs/dbraw/zinc/59/77/02/1077597702.db2.gz LLAXGHQYHJFPLQ-QGZVFWFLSA-N 0 3 404.511 0.712 20 0 HCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000494724985 1077596243 /nfs/dbraw/zinc/59/62/43/1077596243.db2.gz CYCJUIFCWVWWGK-INIZCTEOSA-N 0 3 410.540 0.530 20 0 HCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000494724987 1077595963 /nfs/dbraw/zinc/59/59/63/1077595963.db2.gz CYCJUIFCWVWWGK-MRXNPFEDSA-N 0 3 410.540 0.530 20 0 HCADHN COc1cc(CNC(=O)CN2CCN(C[C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000494728994 1077598833 /nfs/dbraw/zinc/59/88/33/1077598833.db2.gz MLBMPFYYCURHFZ-INIZCTEOSA-N 0 3 407.511 0.983 20 0 HCADHN COc1cc(CNC(=O)CN2CCN(C[C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000494728996 1077598885 /nfs/dbraw/zinc/59/88/85/1077598885.db2.gz MLBMPFYYCURHFZ-MRXNPFEDSA-N 0 3 407.511 0.983 20 0 HCADHN CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000494731734 1077599320 /nfs/dbraw/zinc/59/93/20/1077599320.db2.gz VTOZTBWJKYPCAF-NEWSRXKRSA-N 0 3 408.568 0.779 20 0 HCADHN CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000494731735 1077599723 /nfs/dbraw/zinc/59/97/23/1077599723.db2.gz VTOZTBWJKYPCAF-QRQLOZEOSA-N 0 3 408.568 0.779 20 0 HCADHN CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000494731736 1077599522 /nfs/dbraw/zinc/59/95/22/1077599522.db2.gz VTOZTBWJKYPCAF-UHOSZYNNSA-N 0 3 408.568 0.779 20 0 HCADHN CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000494731737 1077599163 /nfs/dbraw/zinc/59/91/63/1077599163.db2.gz VTOZTBWJKYPCAF-WDSOQIARSA-N 0 3 408.568 0.779 20 0 HCADHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000494734677 1077601085 /nfs/dbraw/zinc/60/10/85/1077601085.db2.gz HNRJQRLUGMFNND-KRWDZBQOSA-N 0 3 406.552 0.687 20 0 HCADHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000494734678 1077600782 /nfs/dbraw/zinc/60/07/82/1077600782.db2.gz HNRJQRLUGMFNND-QGZVFWFLSA-N 0 3 406.552 0.687 20 0 HCADHN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000494735133 1077601035 /nfs/dbraw/zinc/60/10/35/1077601035.db2.gz MOQFLACUPLFSOQ-MSOLQXFVSA-N 0 3 404.511 0.607 20 0 HCADHN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000494735134 1077601184 /nfs/dbraw/zinc/60/11/84/1077601184.db2.gz MOQFLACUPLFSOQ-QZTJIDSGSA-N 0 3 404.511 0.607 20 0 HCADHN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000494735135 1077600807 /nfs/dbraw/zinc/60/08/07/1077600807.db2.gz MOQFLACUPLFSOQ-ROUUACIJSA-N 0 3 404.511 0.607 20 0 HCADHN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000494735136 1077600708 /nfs/dbraw/zinc/60/07/08/1077600708.db2.gz MOQFLACUPLFSOQ-ZWKOTPCHSA-N 0 3 404.511 0.607 20 0 HCADHN CNS(=O)(=O)C[C@H]1CCCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000494735279 1077598496 /nfs/dbraw/zinc/59/84/96/1077598496.db2.gz KCPDCMWICSIXLX-GFCCVEGCSA-N 0 3 402.904 0.781 20 0 HCADHN CNS(=O)(=O)C[C@@H]1CCCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000494735280 1077598400 /nfs/dbraw/zinc/59/84/00/1077598400.db2.gz KCPDCMWICSIXLX-LBPRGKRZSA-N 0 3 402.904 0.781 20 0 HCADHN COc1cc(OC)c(OC)cc1CNC(=O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000494736102 1077601674 /nfs/dbraw/zinc/60/16/74/1077601674.db2.gz QQMCGYFZLLGLCX-INIZCTEOSA-N 0 3 407.511 0.983 20 0 HCADHN COc1cc(OC)c(OC)cc1CNC(=O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000494736104 1077601983 /nfs/dbraw/zinc/60/19/83/1077601983.db2.gz QQMCGYFZLLGLCX-MRXNPFEDSA-N 0 3 407.511 0.983 20 0 HCADHN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000494737048 1077604887 /nfs/dbraw/zinc/60/48/87/1077604887.db2.gz QRKJZTXFVWSHOD-HNNXBMFYSA-N 0 3 406.512 0.220 20 0 HCADHN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000494737054 1077604625 /nfs/dbraw/zinc/60/46/25/1077604625.db2.gz QRKJZTXFVWSHOD-OAHLLOKOSA-N 0 3 406.512 0.220 20 0 HCADHN CCCCn1c2nc(CN3CCN(C[C@@H]4CCOC4)CC3)n(C)c2c(=O)[nH]c1=O ZINC000494737904 1077602499 /nfs/dbraw/zinc/60/24/99/1077602499.db2.gz WVEPDRKYPYJURP-HNNXBMFYSA-N 0 3 404.515 0.790 20 0 HCADHN CCCCn1c2nc(CN3CCN(C[C@H]4CCOC4)CC3)n(C)c2c(=O)[nH]c1=O ZINC000494737905 1077602439 /nfs/dbraw/zinc/60/24/39/1077602439.db2.gz WVEPDRKYPYJURP-OAHLLOKOSA-N 0 3 404.515 0.790 20 0 HCADHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000494749930 1077607095 /nfs/dbraw/zinc/60/70/95/1077607095.db2.gz WLEJLGMQGVCUOC-FQEVSTJZSA-N 0 3 408.587 0.792 20 0 HCADHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000494749931 1077606760 /nfs/dbraw/zinc/60/67/60/1077606760.db2.gz WLEJLGMQGVCUOC-HXUWFJFHSA-N 0 3 408.587 0.792 20 0 HCADHN CNS(=O)(=O)C[C@H]1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752716 1077610649 /nfs/dbraw/zinc/61/06/49/1077610649.db2.gz LMGKTKHSWQUHDD-GOSISDBHSA-N 0 3 412.531 0.878 20 0 HCADHN CNS(=O)(=O)C[C@@H]1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752717 1077610312 /nfs/dbraw/zinc/61/03/12/1077610312.db2.gz LMGKTKHSWQUHDD-SFHVURJKSA-N 0 3 412.531 0.878 20 0 HCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000494777047 1077622622 /nfs/dbraw/zinc/62/26/22/1077622622.db2.gz ISJGPGNPHVXREQ-UHFFFAOYSA-N 0 3 411.462 0.542 20 0 HCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000494784800 1077626798 /nfs/dbraw/zinc/62/67/98/1077626798.db2.gz ZDVIVZKYLIQIBA-UHFFFAOYSA-N 0 3 411.462 0.542 20 0 HCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000494824652 1077650444 /nfs/dbraw/zinc/65/04/44/1077650444.db2.gz MDDXADHSRGVBBQ-UHFFFAOYSA-N 0 3 424.473 0.321 20 0 HCADHN COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)ccc21 ZINC000494839623 1077656650 /nfs/dbraw/zinc/65/66/50/1077656650.db2.gz XZVFYVBEUCCGRI-SJORKVTESA-N 0 3 400.479 0.856 20 0 HCADHN O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)O1)N1CCN2CCCC[C@@H]2C1 ZINC000494839946 1077656632 /nfs/dbraw/zinc/65/66/32/1077656632.db2.gz ZVDQOKFYVFWFHW-FGYAAKKASA-N 0 3 404.555 0.927 20 0 HCADHN O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)O1)N1CCN2CCCC[C@H]2C1 ZINC000494839949 1077656702 /nfs/dbraw/zinc/65/67/02/1077656702.db2.gz ZVDQOKFYVFWFHW-JVSBHGNQSA-N 0 3 404.555 0.927 20 0 HCADHN O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)O1)N1CCN2CCCC[C@H]2C1 ZINC000494839951 1077656645 /nfs/dbraw/zinc/65/66/45/1077656645.db2.gz ZVDQOKFYVFWFHW-LWYYNNOASA-N 0 3 404.555 0.927 20 0 HCADHN O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)O1)N1CCN2CCCC[C@@H]2C1 ZINC000494839953 1077656680 /nfs/dbraw/zinc/65/66/80/1077656680.db2.gz ZVDQOKFYVFWFHW-WTGUMLROSA-N 0 3 404.555 0.927 20 0 HCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000494867765 1077662125 /nfs/dbraw/zinc/66/21/25/1077662125.db2.gz GPXCIOGYRVWETB-HNNXBMFYSA-N 0 3 420.601 0.260 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000494867766 1077661938 /nfs/dbraw/zinc/66/19/38/1077661938.db2.gz GPXCIOGYRVWETB-OAHLLOKOSA-N 0 3 420.601 0.260 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000494868911 1077662196 /nfs/dbraw/zinc/66/21/96/1077662196.db2.gz BDZIPAWZWRWPLU-KRWDZBQOSA-N 0 3 404.515 0.972 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000494868912 1077662006 /nfs/dbraw/zinc/66/20/06/1077662006.db2.gz BDZIPAWZWRWPLU-QGZVFWFLSA-N 0 3 404.515 0.972 20 0 HCADHN CC(C)CN1C[C@H]2CN(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CCN2C1=O ZINC000494871074 1077661979 /nfs/dbraw/zinc/66/19/79/1077661979.db2.gz NAYHRFYMLBKIEU-MSOLQXFVSA-N 0 3 422.574 0.717 20 0 HCADHN CC(C)CN1C[C@H]2CN(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CCN2C1=O ZINC000494871075 1077662807 /nfs/dbraw/zinc/66/28/07/1077662807.db2.gz NAYHRFYMLBKIEU-QZTJIDSGSA-N 0 3 422.574 0.717 20 0 HCADHN CC(C)CN1C[C@@H]2CN(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CCN2C1=O ZINC000494871076 1077662704 /nfs/dbraw/zinc/66/27/04/1077662704.db2.gz NAYHRFYMLBKIEU-ROUUACIJSA-N 0 3 422.574 0.717 20 0 HCADHN CC(C)CN1C[C@@H]2CN(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CCN2C1=O ZINC000494871077 1077662845 /nfs/dbraw/zinc/66/28/45/1077662845.db2.gz NAYHRFYMLBKIEU-ZWKOTPCHSA-N 0 3 422.574 0.717 20 0 HCADHN CN1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C2(CCCCC2)C1 ZINC000494871910 1077662861 /nfs/dbraw/zinc/66/28/61/1077662861.db2.gz 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C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000494877628 1077663942 /nfs/dbraw/zinc/66/39/42/1077663942.db2.gz KSEHUYZVCHGNNJ-HNNXBMFYSA-N 0 3 402.561 0.553 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000494877629 1077664059 /nfs/dbraw/zinc/66/40/59/1077664059.db2.gz KSEHUYZVCHGNNJ-OAHLLOKOSA-N 0 3 402.561 0.553 20 0 HCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000494879056 1077664014 /nfs/dbraw/zinc/66/40/14/1077664014.db2.gz ORGIMFLYEIWNBK-KRWDZBQOSA-N 0 3 403.527 0.977 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000494879057 1077664120 /nfs/dbraw/zinc/66/41/20/1077664120.db2.gz ORGIMFLYEIWNBK-QGZVFWFLSA-N 0 3 403.527 0.977 20 0 HCADHN CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@@H]1CCOC1 ZINC000494923895 1077676827 /nfs/dbraw/zinc/67/68/27/1077676827.db2.gz MMEVXZXDDOFCBY-KRWDZBQOSA-N 0 3 411.524 0.292 20 0 HCADHN CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H]1CCOC1 ZINC000494923896 1077676885 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ZINC000494979089 1077694444 /nfs/dbraw/zinc/69/44/44/1077694444.db2.gz VLWHJKVQZFJKKH-KRWDZBQOSA-N 0 3 423.535 0.690 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@H]3CCOC3)CC2)c1 ZINC000494979091 1077694184 /nfs/dbraw/zinc/69/41/84/1077694184.db2.gz VLWHJKVQZFJKKH-QGZVFWFLSA-N 0 3 423.535 0.690 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000494981733 1077690395 /nfs/dbraw/zinc/69/03/95/1077690395.db2.gz TWIWLUVRGYUBKB-INIZCTEOSA-N 0 3 404.577 0.989 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000494981734 1077690451 /nfs/dbraw/zinc/69/04/51/1077690451.db2.gz TWIWLUVRGYUBKB-MRXNPFEDSA-N 0 3 404.577 0.989 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@@H]3CCOC3)CC2)cc1 ZINC000494986592 1077692166 /nfs/dbraw/zinc/69/21/66/1077692166.db2.gz QSTGUFZQGWWSJY-KRWDZBQOSA-N 0 3 423.535 0.690 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@H]3CCOC3)CC2)cc1 ZINC000494986593 1077692228 /nfs/dbraw/zinc/69/22/28/1077692228.db2.gz 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ZINC000495063915 1077727569 /nfs/dbraw/zinc/72/75/69/1077727569.db2.gz HBZOOSBPVGNILK-MRXNPFEDSA-N 0 3 404.467 0.481 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000495065972 1077725748 /nfs/dbraw/zinc/72/57/48/1077725748.db2.gz KWUHQKFBMAIDPZ-UHFFFAOYSA-N 0 3 402.486 0.941 20 0 HCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(C[C@H]3CCOC3)CC2)c(OC)c1 ZINC000495071869 1077729362 /nfs/dbraw/zinc/72/93/62/1077729362.db2.gz YTHCGAWUDFWVKM-AEFFLSMTSA-N 0 3 408.495 0.876 20 0 HCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000495071871 1077729137 /nfs/dbraw/zinc/72/91/37/1077729137.db2.gz YTHCGAWUDFWVKM-FUHWJXTLSA-N 0 3 408.495 0.876 20 0 HCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN(C[C@H]3CCOC3)CC2)c(OC)c1 ZINC000495071873 1077729292 /nfs/dbraw/zinc/72/92/92/1077729292.db2.gz YTHCGAWUDFWVKM-SJLPKXTDSA-N 0 3 408.495 0.876 20 0 HCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000495071874 1077729228 /nfs/dbraw/zinc/72/92/28/1077729228.db2.gz 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COC(=O)C[C@@](C)(NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(OC)c1 ZINC000495180188 1077750954 /nfs/dbraw/zinc/75/09/54/1077750954.db2.gz JZRJTOQHCWSRBA-QVKFZJNVSA-N 0 3 405.495 1.000 20 0 HCADHN COC(=O)C[C@](C)(NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(OC)c1 ZINC000495180189 1077750882 /nfs/dbraw/zinc/75/08/82/1077750882.db2.gz JZRJTOQHCWSRBA-VFNWGFHPSA-N 0 3 405.495 1.000 20 0 HCADHN COC(=O)C[C@@](C)(NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc(OC)c1 ZINC000495180190 1077750862 /nfs/dbraw/zinc/75/08/62/1077750862.db2.gz JZRJTOQHCWSRBA-YCRPNKLZSA-N 0 3 405.495 1.000 20 0 HCADHN COc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1S(N)(=O)=O ZINC000495183234 1077750963 /nfs/dbraw/zinc/75/09/63/1077750963.db2.gz JVLYKTDUGDWEJP-UHFFFAOYSA-N 0 3 411.524 0.994 20 0 HCADHN C[C@@H]1CC[C@@](CO)(N(C)CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000495212213 1077758636 /nfs/dbraw/zinc/75/86/36/1077758636.db2.gz LLABQYUNZGFCMK-FOIQADDNSA-N 0 3 401.515 0.495 20 0 HCADHN C[C@H]1CC[C@@](CO)(N(C)CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000495212214 1077758545 /nfs/dbraw/zinc/75/85/45/1077758545.db2.gz LLABQYUNZGFCMK-MGPUTAFESA-N 0 3 401.515 0.495 20 0 HCADHN C[C@@H]1CC[C@](CO)(N(C)CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000495212215 1077758417 /nfs/dbraw/zinc/75/84/17/1077758417.db2.gz LLABQYUNZGFCMK-QRWLVFNGSA-N 0 3 401.515 0.495 20 0 HCADHN C[C@H]1CC[C@](CO)(N(C)CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000495212216 1077759115 /nfs/dbraw/zinc/75/91/15/1077759115.db2.gz LLABQYUNZGFCMK-YWZLYKJASA-N 0 3 401.515 0.495 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000495227987 1077763414 /nfs/dbraw/zinc/76/34/14/1077763414.db2.gz CQAICADKCDCZQL-GOSISDBHSA-N 0 3 421.586 0.825 20 0 HCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000495227988 1077763344 /nfs/dbraw/zinc/76/33/44/1077763344.db2.gz CQAICADKCDCZQL-SFHVURJKSA-N 0 3 421.586 0.825 20 0 HCADHN CC(C)CN1C[C@@H]2CN(C(=O)NCCCCN3CCN(CCO)CC3)CCN2C1=O ZINC000495232203 1077769674 /nfs/dbraw/zinc/76/96/74/1077769674.db2.gz KLJDAWYBZVLUOL-IBGZPJMESA-N 0 3 424.590 0.164 20 0 HCADHN CC(C)CN1C[C@H]2CN(C(=O)NCCCCN3CCN(CCO)CC3)CCN2C1=O ZINC000495232204 1077769803 /nfs/dbraw/zinc/76/98/03/1077769803.db2.gz KLJDAWYBZVLUOL-LJQANCHMSA-N 0 3 424.590 0.164 20 0 HCADHN Cc1cc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nc(N2CCCC2)n1 ZINC000495251436 1077777830 /nfs/dbraw/zinc/77/78/30/1077777830.db2.gz KQQOFUNFNBAEIX-GOSISDBHSA-N 0 3 415.542 0.833 20 0 HCADHN Cc1cc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc(N2CCCC2)n1 ZINC000495251437 1077777740 /nfs/dbraw/zinc/77/77/40/1077777740.db2.gz KQQOFUNFNBAEIX-SFHVURJKSA-N 0 3 415.542 0.833 20 0 HCADHN Cc1cc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc(N2CCCC2)n1 ZINC000495258691 1077782495 /nfs/dbraw/zinc/78/24/95/1077782495.db2.gz DSKYIYIWRUXPNM-UHFFFAOYSA-N 0 3 415.542 0.835 20 0 HCADHN COCCN(C)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495268338 1077788493 /nfs/dbraw/zinc/78/84/93/1077788493.db2.gz VMHSREZMTCAGDY-KRWDZBQOSA-N 0 3 421.546 0.159 20 0 HCADHN COCCN(C)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000495268339 1077788319 /nfs/dbraw/zinc/78/83/19/1077788319.db2.gz VMHSREZMTCAGDY-QGZVFWFLSA-N 0 3 421.546 0.159 20 0 HCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000495312203 1077807333 /nfs/dbraw/zinc/80/73/33/1077807333.db2.gz KQUXNADCRLMCRG-KRWDZBQOSA-N 0 3 417.572 0.972 20 0 HCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000495312204 1077807341 /nfs/dbraw/zinc/80/73/41/1077807341.db2.gz KQUXNADCRLMCRG-QGZVFWFLSA-N 0 3 417.572 0.972 20 0 HCADHN C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)C[C@@H](C)O1 ZINC000495324277 1077809316 /nfs/dbraw/zinc/80/93/16/1077809316.db2.gz PUIPSMFVZZGVNN-IZBJGVDFSA-N 0 3 423.554 0.741 20 0 HCADHN C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)C[C@H](C)O1 ZINC000495324278 1077809344 /nfs/dbraw/zinc/80/93/44/1077809344.db2.gz PUIPSMFVZZGVNN-KVPLUYHFSA-N 0 3 423.554 0.741 20 0 HCADHN C[C@H]1CN(CC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)C[C@H](C)O1 ZINC000495324279 1077809264 /nfs/dbraw/zinc/80/92/64/1077809264.db2.gz PUIPSMFVZZGVNN-QGZVKYPTSA-N 0 3 423.554 0.741 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000495364257 1077821106 /nfs/dbraw/zinc/82/11/06/1077821106.db2.gz ODCXQUSCCAOCKW-UHFFFAOYSA-N 0 3 400.470 0.695 20 0 HCADHN CCOC(=O)C(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc(C)cs1 ZINC000495369906 1077822781 /nfs/dbraw/zinc/82/27/81/1077822781.db2.gz XTQPGTUKLVWZBW-LLVKDONJSA-N 0 3 405.436 0.115 20 0 HCADHN CCOC(=O)C(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc(C)cs1 ZINC000495369907 1077822742 /nfs/dbraw/zinc/82/27/42/1077822742.db2.gz XTQPGTUKLVWZBW-NSHDSACASA-N 0 3 405.436 0.115 20 0 HCADHN CCS(=O)(=O)NCCN(C)[C@H]1CCCC[C@@H]1N(C)CCNS(=O)(=O)CC ZINC000495409808 1077827803 /nfs/dbraw/zinc/82/78/03/1077827803.db2.gz QFLGGYRBHWWPPC-HOTGVXAUSA-N 0 3 412.622 0.040 20 0 HCADHN CCS(=O)(=O)NCCN(C)[C@@H]1CCCC[C@H]1N(C)CCNS(=O)(=O)CC ZINC000495409809 1077827830 /nfs/dbraw/zinc/82/78/30/1077827830.db2.gz QFLGGYRBHWWPPC-HZPDHXFCSA-N 0 3 412.622 0.040 20 0 HCADHN CN1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495420319 1077830666 /nfs/dbraw/zinc/83/06/66/1077830666.db2.gz GXBTVAQUSZQANJ-KRWDZBQOSA-N 0 3 403.531 0.629 20 0 HCADHN CN1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495420320 1077830606 /nfs/dbraw/zinc/83/06/06/1077830606.db2.gz GXBTVAQUSZQANJ-QGZVFWFLSA-N 0 3 403.531 0.629 20 0 HCADHN CN1CC(=O)N(CC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1=O ZINC000495422931 1077829747 /nfs/dbraw/zinc/82/97/47/1077829747.db2.gz MUOMZNACXVHKNV-UHFFFAOYSA-N 0 3 401.511 0.595 20 0 HCADHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495444673 1077831793 /nfs/dbraw/zinc/83/17/93/1077831793.db2.gz KPPGRVOVRGAVDW-CVEARBPZSA-N 0 3 421.523 0.909 20 0 HCADHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495444674 1077831789 /nfs/dbraw/zinc/83/17/89/1077831789.db2.gz KPPGRVOVRGAVDW-HOTGVXAUSA-N 0 3 421.523 0.909 20 0 HCADHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495444675 1077831762 /nfs/dbraw/zinc/83/17/62/1077831762.db2.gz KPPGRVOVRGAVDW-HZPDHXFCSA-N 0 3 421.523 0.909 20 0 HCADHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495444676 1077831741 /nfs/dbraw/zinc/83/17/41/1077831741.db2.gz KPPGRVOVRGAVDW-JKSUJKDBSA-N 0 3 421.523 0.909 20 0 HCADHN C[C@H](NCCn1cccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495445391 1077832837 /nfs/dbraw/zinc/83/28/37/1077832837.db2.gz UTXJAPPGOYKQNO-HNNXBMFYSA-N 0 3 407.496 0.521 20 0 HCADHN C[C@@H](NCCn1cccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495445392 1077832814 /nfs/dbraw/zinc/83/28/14/1077832814.db2.gz UTXJAPPGOYKQNO-OAHLLOKOSA-N 0 3 407.496 0.521 20 0 HCADHN Cc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC2 ZINC000495460542 1077833611 /nfs/dbraw/zinc/83/36/11/1077833611.db2.gz JVRWGKBHPCRDSZ-DOMZBBRYSA-N 0 3 406.512 0.768 20 0 HCADHN Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC2 ZINC000495460543 1077833630 /nfs/dbraw/zinc/83/36/30/1077833630.db2.gz JVRWGKBHPCRDSZ-IUODEOHRSA-N 0 3 406.512 0.768 20 0 HCADHN Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC2 ZINC000495460544 1077833646 /nfs/dbraw/zinc/83/36/46/1077833646.db2.gz JVRWGKBHPCRDSZ-SWLSCSKDSA-N 0 3 406.512 0.768 20 0 HCADHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC2 ZINC000495460545 1077833777 /nfs/dbraw/zinc/83/37/77/1077833777.db2.gz JVRWGKBHPCRDSZ-WFASDCNBSA-N 0 3 406.512 0.768 20 0 HCADHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495469522 1077834431 /nfs/dbraw/zinc/83/44/31/1077834431.db2.gz HZHWSLCUMZRJAE-CVEARBPZSA-N 0 3 421.523 0.909 20 0 HCADHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495469523 1077834477 /nfs/dbraw/zinc/83/44/77/1077834477.db2.gz HZHWSLCUMZRJAE-HOTGVXAUSA-N 0 3 421.523 0.909 20 0 HCADHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495469524 1077834467 /nfs/dbraw/zinc/83/44/67/1077834467.db2.gz HZHWSLCUMZRJAE-HZPDHXFCSA-N 0 3 421.523 0.909 20 0 HCADHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000495469525 1077834444 /nfs/dbraw/zinc/83/44/44/1077834444.db2.gz HZHWSLCUMZRJAE-JKSUJKDBSA-N 0 3 421.523 0.909 20 0 HCADHN CCN(C(=O)CN[C@@H](COC)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000495471258 1077834093 /nfs/dbraw/zinc/83/40/93/1077834093.db2.gz UUTAGUUTDGMEEI-INIZCTEOSA-N 0 3 415.494 0.947 20 0 HCADHN CCN(C(=O)CN[C@H](COC)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000495471259 1077834121 /nfs/dbraw/zinc/83/41/21/1077834121.db2.gz UUTAGUUTDGMEEI-MRXNPFEDSA-N 0 3 415.494 0.947 20 0 HCADHN Cc1ccc(NC(=O)[C@H](C)NCCn2cccn2)cc1S(=O)(=O)N1CCOCC1 ZINC000495495445 1077836619 /nfs/dbraw/zinc/83/66/19/1077836619.db2.gz RWPDFZZDXGRHOB-INIZCTEOSA-N 0 3 421.523 0.829 20 0 HCADHN Cc1ccc(NC(=O)[C@@H](C)NCCn2cccn2)cc1S(=O)(=O)N1CCOCC1 ZINC000495495446 1077836646 /nfs/dbraw/zinc/83/66/46/1077836646.db2.gz RWPDFZZDXGRHOB-MRXNPFEDSA-N 0 3 421.523 0.829 20 0 HCADHN C[C@H](NCCn1cccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495495497 1077836634 /nfs/dbraw/zinc/83/66/34/1077836634.db2.gz SMYUCHZYMTZWPX-HNNXBMFYSA-N 0 3 407.496 0.521 20 0 HCADHN C[C@@H](NCCn1cccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495495498 1077836654 /nfs/dbraw/zinc/83/66/54/1077836654.db2.gz SMYUCHZYMTZWPX-OAHLLOKOSA-N 0 3 407.496 0.521 20 0 HCADHN C[C@H](C(=O)N(C)CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)n1cccn1 ZINC000495501539 1077837497 /nfs/dbraw/zinc/83/74/97/1077837497.db2.gz JKQOQKFZHLVWCD-GOSISDBHSA-N 0 3 412.538 0.966 20 0 HCADHN C[C@@H](C(=O)N(C)CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)n1cccn1 ZINC000495501540 1077837448 /nfs/dbraw/zinc/83/74/48/1077837448.db2.gz JKQOQKFZHLVWCD-SFHVURJKSA-N 0 3 412.538 0.966 20 0 HCADHN COc1ccc(NC(=O)[C@@H](N)CCSC)cc1S(=O)(=O)N1CCOCC1 ZINC000495502929 1077836279 /nfs/dbraw/zinc/83/62/79/1077836279.db2.gz LAVKAMVXFHANAI-ZDUSSCGKSA-N 0 3 403.526 0.735 20 0 HCADHN CN1CC(=O)N(CCCC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1=O ZINC000495503277 1077836341 /nfs/dbraw/zinc/83/63/41/1077836341.db2.gz YJZMPAUGVIAAKS-UHFFFAOYSA-N 0 3 401.511 0.724 20 0 HCADHN CN1CCN(Cc2ccc(CNC(=O)CSCC(=O)N3CCOCC3)cc2)CC1 ZINC000495505510 1077838617 /nfs/dbraw/zinc/83/86/17/1077838617.db2.gz IMHLRGOYLZJNQO-UHFFFAOYSA-N 0 3 420.579 0.642 20 0 HCADHN COC(=O)CC1(NCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000495511029 1077838322 /nfs/dbraw/zinc/83/83/22/1077838322.db2.gz CQCKAVXHRROZFI-CABCVRRESA-N 0 3 402.513 0.257 20 0 HCADHN COC(=O)CC1(NCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000495511040 1077838338 /nfs/dbraw/zinc/83/83/38/1077838338.db2.gz CQCKAVXHRROZFI-GJZGRUSLSA-N 0 3 402.513 0.257 20 0 HCADHN COC(=O)CC1(NCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000495511042 1077838304 /nfs/dbraw/zinc/83/83/04/1077838304.db2.gz CQCKAVXHRROZFI-HUUCEWRRSA-N 0 3 402.513 0.257 20 0 HCADHN COC(=O)CC1(NCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000495511043 1077838355 /nfs/dbraw/zinc/83/83/55/1077838355.db2.gz CQCKAVXHRROZFI-LSDHHAIUSA-N 0 3 402.513 0.257 20 0 HCADHN COC[C@H](NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000495515097 1077839179 /nfs/dbraw/zinc/83/91/79/1077839179.db2.gz KDASAHJHULALCF-KRWDZBQOSA-N 0 3 411.524 0.969 20 0 HCADHN COC[C@@H](NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000495515098 1077839198 /nfs/dbraw/zinc/83/91/98/1077839198.db2.gz KDASAHJHULALCF-QGZVFWFLSA-N 0 3 411.524 0.969 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)CCCN3C(=O)CNC3=O)c2)CC1 ZINC000495522085 1077838988 /nfs/dbraw/zinc/83/89/88/1077838988.db2.gz UYPKSRBRBFPQAA-UHFFFAOYSA-N 0 3 401.467 0.654 20 0 HCADHN CCCCS(=O)(=O)N1CCC(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000495551016 1077842472 /nfs/dbraw/zinc/84/24/72/1077842472.db2.gz QILMYFAADYDVTC-KRWDZBQOSA-N 0 3 402.605 0.828 20 0 HCADHN CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000495551017 1077842516 /nfs/dbraw/zinc/84/25/16/1077842516.db2.gz QILMYFAADYDVTC-QGZVFWFLSA-N 0 3 402.605 0.828 20 0 HCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1C ZINC000495551357 1077842467 /nfs/dbraw/zinc/84/24/67/1077842467.db2.gz YELIYOCSCSEJNL-INIZCTEOSA-N 0 3 410.584 0.924 20 0 HCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1C ZINC000495551358 1077842492 /nfs/dbraw/zinc/84/24/92/1077842492.db2.gz YELIYOCSCSEJNL-MRXNPFEDSA-N 0 3 410.584 0.924 20 0 HCADHN C[C@H](CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)CN1CCN(C)CC1 ZINC000495564543 1077844130 /nfs/dbraw/zinc/84/41/30/1077844130.db2.gz JKFQMTZVTJJBDC-ATZDWAIDSA-N 0 3 422.570 0.968 20 0 HCADHN C[C@H](CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)CN1CCN(C)CC1 ZINC000495564549 1077844141 /nfs/dbraw/zinc/84/41/41/1077844141.db2.gz JKFQMTZVTJJBDC-AYOQOUSVSA-N 0 3 422.570 0.968 20 0 HCADHN C[C@H](CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)CN1CCN(C)CC1 ZINC000495564550 1077844144 /nfs/dbraw/zinc/84/41/44/1077844144.db2.gz JKFQMTZVTJJBDC-LZQZEXGQSA-N 0 3 422.570 0.968 20 0 HCADHN C[C@H](CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)CN1CCN(C)CC1 ZINC000495564551 1077844174 /nfs/dbraw/zinc/84/41/74/1077844174.db2.gz JKFQMTZVTJJBDC-MNEFBYGVSA-N 0 3 422.570 0.968 20 0 HCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)CN1CCN(C)CC1 ZINC000495581078 1077848334 /nfs/dbraw/zinc/84/83/34/1077848334.db2.gz UDMKSFFOIOIDIB-DLBZAZTESA-N 0 3 416.522 0.810 20 0 HCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)CN1CCN(C)CC1 ZINC000495581079 1077848378 /nfs/dbraw/zinc/84/83/78/1077848378.db2.gz UDMKSFFOIOIDIB-IAGOWNOFSA-N 0 3 416.522 0.810 20 0 HCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)CN1CCN(C)CC1 ZINC000495581080 1077848361 /nfs/dbraw/zinc/84/83/61/1077848361.db2.gz UDMKSFFOIOIDIB-IRXDYDNUSA-N 0 3 416.522 0.810 20 0 HCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)CN1CCN(C)CC1 ZINC000495581081 1077848314 /nfs/dbraw/zinc/84/83/14/1077848314.db2.gz UDMKSFFOIOIDIB-SJORKVTESA-N 0 3 416.522 0.810 20 0 HCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H](C)CN1CCN(C)CC1)C2=O ZINC000495593929 1077849575 /nfs/dbraw/zinc/84/95/75/1077849575.db2.gz KFOQJBPSINLDFJ-BQJIDLTASA-N 0 3 407.559 0.877 20 0 HCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H](C)CN1CCN(C)CC1)C2=O ZINC000495593932 1077849502 /nfs/dbraw/zinc/84/95/02/1077849502.db2.gz KFOQJBPSINLDFJ-ZGGTZUKQSA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000495605266 1077851085 /nfs/dbraw/zinc/85/10/85/1077851085.db2.gz DMASPJBBNBBELG-INIZCTEOSA-N 0 3 401.511 0.742 20 0 HCADHN C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)CN1CCN(C)CC1 ZINC000495607914 1077851276 /nfs/dbraw/zinc/85/12/76/1077851276.db2.gz MVXCOMWOMQLBIM-AWEZNQCLSA-N 0 3 402.586 0.453 20 0 HCADHN C[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)CN1CCN(C)CC1 ZINC000495607916 1077851291 /nfs/dbraw/zinc/85/12/91/1077851291.db2.gz MVXCOMWOMQLBIM-CQSZACIVSA-N 0 3 402.586 0.453 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000495608467 1077851492 /nfs/dbraw/zinc/85/14/92/1077851492.db2.gz SQOPUBYNWYYTKS-CBGDNZLLSA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000495608468 1077851469 /nfs/dbraw/zinc/85/14/69/1077851469.db2.gz SQOPUBYNWYYTKS-LLGFUMIMSA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000495608469 1077851511 /nfs/dbraw/zinc/85/15/11/1077851511.db2.gz SQOPUBYNWYYTKS-LZJOCLMNSA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000495608470 1077851503 /nfs/dbraw/zinc/85/15/03/1077851503.db2.gz SQOPUBYNWYYTKS-WWMYMODYSA-N 0 3 407.559 0.877 20 0 HCADHN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)CN1CCN(C)CC1 ZINC000495609087 1077850491 /nfs/dbraw/zinc/85/04/91/1077850491.db2.gz ZHUUYQNNFHETGE-KRWDZBQOSA-N 0 3 424.567 0.321 20 0 HCADHN C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)CN1CCN(C)CC1 ZINC000495609088 1077850466 /nfs/dbraw/zinc/85/04/66/1077850466.db2.gz ZHUUYQNNFHETGE-QGZVFWFLSA-N 0 3 424.567 0.321 20 0 HCADHN CS[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1N(C)C ZINC000495617916 1077852298 /nfs/dbraw/zinc/85/22/98/1077852298.db2.gz IKYQGIKMLSMGLF-KBPBESRZSA-N 0 3 419.594 0.887 20 0 HCADHN CS[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1N(C)C ZINC000495617931 1077852433 /nfs/dbraw/zinc/85/24/33/1077852433.db2.gz IKYQGIKMLSMGLF-KGLIPLIRSA-N 0 3 419.594 0.887 20 0 HCADHN CS[C@@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1N(C)C ZINC000495617933 1077852487 /nfs/dbraw/zinc/85/24/87/1077852487.db2.gz IKYQGIKMLSMGLF-UONOGXRCSA-N 0 3 419.594 0.887 20 0 HCADHN CS[C@@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1N(C)C ZINC000495617937 1077852472 /nfs/dbraw/zinc/85/24/72/1077852472.db2.gz IKYQGIKMLSMGLF-ZIAGYGMSSA-N 0 3 419.594 0.887 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000495635446 1077855261 /nfs/dbraw/zinc/85/52/61/1077855261.db2.gz JWQJFJCYFPQGMF-HNNXBMFYSA-N 0 3 416.613 0.843 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000495635447 1077855304 /nfs/dbraw/zinc/85/53/04/1077855304.db2.gz JWQJFJCYFPQGMF-OAHLLOKOSA-N 0 3 416.613 0.843 20 0 HCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(F)cc1F ZINC000495637106 1077855712 /nfs/dbraw/zinc/85/57/12/1077855712.db2.gz JIYNSGZVSMWBGB-GUYCJALGSA-N 0 3 408.449 0.907 20 0 HCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(F)cc1F ZINC000495637107 1077855679 /nfs/dbraw/zinc/85/56/79/1077855679.db2.gz JIYNSGZVSMWBGB-SUMWQHHRSA-N 0 3 408.449 0.907 20 0 HCADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000495639963 1077855697 /nfs/dbraw/zinc/85/56/97/1077855697.db2.gz YQOPQHISGWWDKK-CYBMUJFWSA-N 0 3 407.906 0.938 20 0 HCADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000495639964 1077855963 /nfs/dbraw/zinc/85/59/63/1077855963.db2.gz YQOPQHISGWWDKK-ZDUSSCGKSA-N 0 3 407.906 0.938 20 0 HCADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000495653287 1077857332 /nfs/dbraw/zinc/85/73/32/1077857332.db2.gz HUFJHYDBYIEAFP-BEFAXECRSA-N 0 3 403.506 0.904 20 0 HCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000495653290 1077857321 /nfs/dbraw/zinc/85/73/21/1077857321.db2.gz HUFJHYDBYIEAFP-DNVCBOLYSA-N 0 3 403.506 0.904 20 0 HCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000495653291 1077857253 /nfs/dbraw/zinc/85/72/53/1077857253.db2.gz HUFJHYDBYIEAFP-HNAYVOBHSA-N 0 3 403.506 0.904 20 0 HCADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000495653292 1077857277 /nfs/dbraw/zinc/85/72/77/1077857277.db2.gz HUFJHYDBYIEAFP-KXBFYZLASA-N 0 3 403.506 0.904 20 0 HCADHN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)CN1CCN(C)CC1 ZINC000495654083 1077857492 /nfs/dbraw/zinc/85/74/92/1077857492.db2.gz KRFKECPFUSYPIT-INIZCTEOSA-N 0 3 408.568 0.988 20 0 HCADHN C[C@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)CN1CCN(C)CC1 ZINC000495654086 1077857454 /nfs/dbraw/zinc/85/74/54/1077857454.db2.gz KRFKECPFUSYPIT-MRXNPFEDSA-N 0 3 408.568 0.988 20 0 HCADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000495655645 1077858500 /nfs/dbraw/zinc/85/85/00/1077858500.db2.gz OIKBLEZYEBTSER-BEFAXECRSA-N 0 3 403.506 0.904 20 0 HCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000495655646 1077858514 /nfs/dbraw/zinc/85/85/14/1077858514.db2.gz OIKBLEZYEBTSER-DNVCBOLYSA-N 0 3 403.506 0.904 20 0 HCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000495655647 1077858688 /nfs/dbraw/zinc/85/86/88/1077858688.db2.gz OIKBLEZYEBTSER-HNAYVOBHSA-N 0 3 403.506 0.904 20 0 HCADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000495655648 1077858674 /nfs/dbraw/zinc/85/86/74/1077858674.db2.gz OIKBLEZYEBTSER-KXBFYZLASA-N 0 3 403.506 0.904 20 0 HCADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000495658666 1077858240 /nfs/dbraw/zinc/85/82/40/1077858240.db2.gz ZGEROPVTHCBKPY-INIZCTEOSA-N 0 3 412.556 0.225 20 0 HCADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000495658667 1077858279 /nfs/dbraw/zinc/85/82/79/1077858279.db2.gz ZGEROPVTHCBKPY-MRXNPFEDSA-N 0 3 412.556 0.225 20 0 HCADHN CS[C@H]1CN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1N(C)C ZINC000495671166 1077861352 /nfs/dbraw/zinc/86/13/52/1077861352.db2.gz NMTZBUSUDWEHLP-CVEARBPZSA-N 0 3 406.556 0.409 20 0 HCADHN CS[C@H]1CN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1N(C)C ZINC000495671167 1077861313 /nfs/dbraw/zinc/86/13/13/1077861313.db2.gz NMTZBUSUDWEHLP-HOTGVXAUSA-N 0 3 406.556 0.409 20 0 HCADHN CS[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1N(C)C ZINC000495671168 1077861336 /nfs/dbraw/zinc/86/13/36/1077861336.db2.gz NMTZBUSUDWEHLP-HZPDHXFCSA-N 0 3 406.556 0.409 20 0 HCADHN CS[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1N(C)C ZINC000495671169 1077861292 /nfs/dbraw/zinc/86/12/92/1077861292.db2.gz NMTZBUSUDWEHLP-JKSUJKDBSA-N 0 3 406.556 0.409 20 0 HCADHN CS[C@H]1CN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)C[C@H]1N(C)C ZINC000495673940 1077860504 /nfs/dbraw/zinc/86/05/04/1077860504.db2.gz WZOXNHJGPAJUSW-MSOLQXFVSA-N 0 3 404.536 0.829 20 0 HCADHN CS[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)C[C@H]1N(C)C ZINC000495673941 1077860538 /nfs/dbraw/zinc/86/05/38/1077860538.db2.gz WZOXNHJGPAJUSW-QZTJIDSGSA-N 0 3 404.536 0.829 20 0 HCADHN CS[C@H]1CN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)C[C@@H]1N(C)C ZINC000495673942 1077860512 /nfs/dbraw/zinc/86/05/12/1077860512.db2.gz WZOXNHJGPAJUSW-ROUUACIJSA-N 0 3 404.536 0.829 20 0 HCADHN CS[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)C[C@@H]1N(C)C ZINC000495673943 1077860480 /nfs/dbraw/zinc/86/04/80/1077860480.db2.gz WZOXNHJGPAJUSW-ZWKOTPCHSA-N 0 3 404.536 0.829 20 0 HCADHN CCN1CCN(CCC(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 ZINC000495673961 1077860493 /nfs/dbraw/zinc/86/04/93/1077860493.db2.gz XKGUAXVONMGGJB-UHFFFAOYSA-N 0 3 410.540 0.212 20 0 HCADHN CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C[C@@H]1N(C)C ZINC000495681604 1077862192 /nfs/dbraw/zinc/86/21/92/1077862192.db2.gz JWEDOTCQIMVXOV-FPMFFAJLSA-N 0 3 403.574 0.208 20 0 HCADHN CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C[C@H]1N(C)C ZINC000495681605 1077862149 /nfs/dbraw/zinc/86/21/49/1077862149.db2.gz JWEDOTCQIMVXOV-IACUBPJLSA-N 0 3 403.574 0.208 20 0 HCADHN CS[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C[C@@H]1N(C)C ZINC000495681606 1077862138 /nfs/dbraw/zinc/86/21/38/1077862138.db2.gz JWEDOTCQIMVXOV-KWCYVHTRSA-N 0 3 403.574 0.208 20 0 HCADHN CS[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C[C@H]1N(C)C ZINC000495681607 1077862171 /nfs/dbraw/zinc/86/21/71/1077862171.db2.gz JWEDOTCQIMVXOV-MRVWCRGKSA-N 0 3 403.574 0.208 20 0 HCADHN CS[C@@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@@H]1N(C)C ZINC000495682335 1077862575 /nfs/dbraw/zinc/86/25/75/1077862575.db2.gz OYJUISQQMFXQFL-DLBZAZTESA-N 0 3 402.520 0.562 20 0 HCADHN CS[C@@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@H]1N(C)C ZINC000495682336 1077862611 /nfs/dbraw/zinc/86/26/11/1077862611.db2.gz OYJUISQQMFXQFL-IAGOWNOFSA-N 0 3 402.520 0.562 20 0 HCADHN CS[C@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@@H]1N(C)C ZINC000495682337 1077862627 /nfs/dbraw/zinc/86/26/27/1077862627.db2.gz OYJUISQQMFXQFL-IRXDYDNUSA-N 0 3 402.520 0.562 20 0 HCADHN CS[C@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@H]1N(C)C ZINC000495682338 1077862568 /nfs/dbraw/zinc/86/25/68/1077862568.db2.gz OYJUISQQMFXQFL-SJORKVTESA-N 0 3 402.520 0.562 20 0 HCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000495682756 1077862437 /nfs/dbraw/zinc/86/24/37/1077862437.db2.gz TWFFBCDYJADTGM-MSOLQXFVSA-N 0 3 402.605 0.971 20 0 HCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000495682757 1077862377 /nfs/dbraw/zinc/86/23/77/1077862377.db2.gz TWFFBCDYJADTGM-QZTJIDSGSA-N 0 3 402.605 0.971 20 0 HCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000495682758 1077862410 /nfs/dbraw/zinc/86/24/10/1077862410.db2.gz TWFFBCDYJADTGM-ROUUACIJSA-N 0 3 402.605 0.971 20 0 HCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000495682759 1077862592 /nfs/dbraw/zinc/86/25/92/1077862592.db2.gz TWFFBCDYJADTGM-ZWKOTPCHSA-N 0 3 402.605 0.971 20 0 HCADHN COc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)N(C)C ZINC000495682791 1077862330 /nfs/dbraw/zinc/86/23/30/1077862330.db2.gz URRVHAVCOHNPMY-HNNXBMFYSA-N 0 3 412.556 0.559 20 0 HCADHN COc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)N(C)C ZINC000495682792 1077862357 /nfs/dbraw/zinc/86/23/57/1077862357.db2.gz URRVHAVCOHNPMY-OAHLLOKOSA-N 0 3 412.556 0.559 20 0 HCADHN CS[C@@H]1CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)C[C@H]1N(C)C ZINC000495682925 1077862141 /nfs/dbraw/zinc/86/21/41/1077862141.db2.gz VEPOEJXQRZHJNH-LMMKCTJWSA-N 0 3 416.547 0.966 20 0 HCADHN CS[C@@H]1CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)C[C@@H]1N(C)C ZINC000495682926 1077862167 /nfs/dbraw/zinc/86/21/67/1077862167.db2.gz VEPOEJXQRZHJNH-SCTDSRPQSA-N 0 3 416.547 0.966 20 0 HCADHN CS[C@@H]1CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)C[C@@H]1N(C)C ZINC000495682927 1077862188 /nfs/dbraw/zinc/86/21/88/1077862188.db2.gz VEPOEJXQRZHJNH-YQVWRLOYSA-N 0 3 416.547 0.966 20 0 HCADHN CS[C@@H]1CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)C[C@H]1N(C)C ZINC000495682928 1077862361 /nfs/dbraw/zinc/86/23/61/1077862361.db2.gz VEPOEJXQRZHJNH-ZHALLVOQSA-N 0 3 416.547 0.966 20 0 HCADHN COCCOCC(=O)NC1CCC(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)CC1 ZINC000495682933 1077862417 /nfs/dbraw/zinc/86/24/17/1077862417.db2.gz VFFZSGFTVURBGU-BACDZXNISA-N 0 3 401.573 0.828 20 0 HCADHN COCCOCC(=O)NC1CCC(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)CC1 ZINC000495682934 1077862398 /nfs/dbraw/zinc/86/23/98/1077862398.db2.gz VFFZSGFTVURBGU-BHUNQDJPSA-N 0 3 401.573 0.828 20 0 HCADHN COCCOCC(=O)NC1CCC(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)CC1 ZINC000495682935 1077862341 /nfs/dbraw/zinc/86/23/41/1077862341.db2.gz VFFZSGFTVURBGU-GQGLESIBSA-N 0 3 401.573 0.828 20 0 HCADHN COCCOCC(=O)NC1CCC(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)CC1 ZINC000495682936 1077862381 /nfs/dbraw/zinc/86/23/81/1077862381.db2.gz VFFZSGFTVURBGU-SJJHQCBESA-N 0 3 401.573 0.828 20 0 HCADHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)CN1CCN(C)CC1 ZINC000495695366 1077864704 /nfs/dbraw/zinc/86/47/04/1077864704.db2.gz CACOVNUHYQLPBG-CABCVRRESA-N 0 3 400.520 0.492 20 0 HCADHN C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)CN1CCN(C)CC1 ZINC000495695367 1077864751 /nfs/dbraw/zinc/86/47/51/1077864751.db2.gz CACOVNUHYQLPBG-GJZGRUSLSA-N 0 3 400.520 0.492 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)CC1 ZINC000495696648 1077864693 /nfs/dbraw/zinc/86/46/93/1077864693.db2.gz MFXGUBVYKCWHPH-HNNXBMFYSA-N 0 3 412.556 0.607 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)CC1 ZINC000495696649 1077864759 /nfs/dbraw/zinc/86/47/59/1077864759.db2.gz MFXGUBVYKCWHPH-OAHLLOKOSA-N 0 3 412.556 0.607 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000495711976 1077867820 /nfs/dbraw/zinc/86/78/20/1077867820.db2.gz IMPBWMGVUFCZQB-BATSVXPKSA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000495711977 1077867838 /nfs/dbraw/zinc/86/78/38/1077867838.db2.gz IMPBWMGVUFCZQB-BQIYRTECSA-N 0 3 407.559 0.877 20 0 HCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@H]1N(C)C ZINC000495713964 1077866783 /nfs/dbraw/zinc/86/67/83/1077866783.db2.gz VGDNBSJGICUPGQ-CABCVRRESA-N 0 3 402.542 0.153 20 0 HCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@@H]1N(C)C ZINC000495713965 1077866937 /nfs/dbraw/zinc/86/69/37/1077866937.db2.gz VGDNBSJGICUPGQ-GJZGRUSLSA-N 0 3 402.542 0.153 20 0 HCADHN CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@H]1N(C)C ZINC000495713966 1077866965 /nfs/dbraw/zinc/86/69/65/1077866965.db2.gz VGDNBSJGICUPGQ-HUUCEWRRSA-N 0 3 402.542 0.153 20 0 HCADHN CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@@H]1N(C)C ZINC000495713967 1077866908 /nfs/dbraw/zinc/86/69/08/1077866908.db2.gz VGDNBSJGICUPGQ-LSDHHAIUSA-N 0 3 402.542 0.153 20 0 HCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1F ZINC000495723392 1077868193 /nfs/dbraw/zinc/86/81/93/1077868193.db2.gz GCODMTXGCPRZAW-AWEZNQCLSA-N 0 3 408.449 0.909 20 0 HCADHN COc1c(F)cc(CC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1S(N)(=O)=O ZINC000495726979 1077870913 /nfs/dbraw/zinc/87/09/13/1077870913.db2.gz IANHBQNABOKAKJ-CHWSQXEVSA-N 0 3 405.517 0.528 20 0 HCADHN COc1c(F)cc(CC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1S(N)(=O)=O ZINC000495726980 1077870929 /nfs/dbraw/zinc/87/09/29/1077870929.db2.gz IANHBQNABOKAKJ-OLZOCXBDSA-N 0 3 405.517 0.528 20 0 HCADHN COc1c(F)cc(CC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1S(N)(=O)=O ZINC000495726981 1077870976 /nfs/dbraw/zinc/87/09/76/1077870976.db2.gz IANHBQNABOKAKJ-QWHCGFSZSA-N 0 3 405.517 0.528 20 0 HCADHN COc1c(F)cc(CC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1S(N)(=O)=O ZINC000495726982 1077870958 /nfs/dbraw/zinc/87/09/58/1077870958.db2.gz IANHBQNABOKAKJ-STQMWFEESA-N 0 3 405.517 0.528 20 0 HCADHN CCc1c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000495726984 1077870907 /nfs/dbraw/zinc/87/09/07/1077870907.db2.gz IEQKYCSYCHKANC-KBPBESRZSA-N 0 3 405.524 0.312 20 0 HCADHN CCc1c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000495726985 1077870954 /nfs/dbraw/zinc/87/09/54/1077870954.db2.gz IEQKYCSYCHKANC-KGLIPLIRSA-N 0 3 405.524 0.312 20 0 HCADHN CCc1c(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000495726986 1077870973 /nfs/dbraw/zinc/87/09/73/1077870973.db2.gz IEQKYCSYCHKANC-UONOGXRCSA-N 0 3 405.524 0.312 20 0 HCADHN CCc1c(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000495726987 1077871121 /nfs/dbraw/zinc/87/11/21/1077871121.db2.gz IEQKYCSYCHKANC-ZIAGYGMSSA-N 0 3 405.524 0.312 20 0 HCADHN CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1N(C)C ZINC000495728757 1077873179 /nfs/dbraw/zinc/87/31/79/1077873179.db2.gz OLCJFINCTDGGGA-DLBZAZTESA-N 0 3 413.565 0.825 20 0 HCADHN CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1N(C)C ZINC000495728758 1077873319 /nfs/dbraw/zinc/87/33/19/1077873319.db2.gz OLCJFINCTDGGGA-IAGOWNOFSA-N 0 3 413.565 0.825 20 0 HCADHN CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1N(C)C ZINC000495728759 1077873361 /nfs/dbraw/zinc/87/33/61/1077873361.db2.gz OLCJFINCTDGGGA-IRXDYDNUSA-N 0 3 413.565 0.825 20 0 HCADHN CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1N(C)C ZINC000495728760 1077873323 /nfs/dbraw/zinc/87/33/23/1077873323.db2.gz OLCJFINCTDGGGA-SJORKVTESA-N 0 3 413.565 0.825 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000495730197 1077872203 /nfs/dbraw/zinc/87/22/03/1077872203.db2.gz UOWSSPONHFRQMG-ACWOFJMJSA-N 0 3 408.449 0.763 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC1=O ZINC000495730198 1077872111 /nfs/dbraw/zinc/87/21/11/1077872111.db2.gz UOWSSPONHFRQMG-AZOIQLNYSA-N 0 3 408.449 0.763 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC1=O ZINC000495730199 1077872198 /nfs/dbraw/zinc/87/21/98/1077872198.db2.gz UOWSSPONHFRQMG-NRXGSXMXSA-N 0 3 408.449 0.763 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000495730200 1077872440 /nfs/dbraw/zinc/87/24/40/1077872440.db2.gz UOWSSPONHFRQMG-VVFCZOMOSA-N 0 3 408.449 0.763 20 0 HCADHN CS[C@H]1CN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C[C@H]1[NH+](C)C ZINC000495730603 1077872129 /nfs/dbraw/zinc/87/21/29/1077872129.db2.gz VOGQKUOATPTHQR-CVEARBPZSA-N 0 3 409.556 0.764 20 0 HCADHN CS[C@H]1CN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C[C@@H]1[NH+](C)C ZINC000495730611 1077872209 /nfs/dbraw/zinc/87/22/09/1077872209.db2.gz VOGQKUOATPTHQR-HOTGVXAUSA-N 0 3 409.556 0.764 20 0 HCADHN CS[C@@H]1CN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C[C@H]1[NH+](C)C ZINC000495730613 1077872119 /nfs/dbraw/zinc/87/21/19/1077872119.db2.gz VOGQKUOATPTHQR-HZPDHXFCSA-N 0 3 409.556 0.764 20 0 HCADHN CS[C@@H]1CN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C[C@@H]1[NH+](C)C ZINC000495730615 1077872170 /nfs/dbraw/zinc/87/21/70/1077872170.db2.gz VOGQKUOATPTHQR-JKSUJKDBSA-N 0 3 409.556 0.764 20 0 HCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(CCN(C)C)C(C)C)c1 ZINC000495881619 1077936716 /nfs/dbraw/zinc/93/67/16/1077936716.db2.gz UFHHSNCETSKQDZ-UHFFFAOYSA-N 0 3 400.545 0.677 20 0 HCADHN COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(C)o1 ZINC000495910336 1077942107 /nfs/dbraw/zinc/94/21/07/1077942107.db2.gz VPIJDYSGZAECJL-CVEARBPZSA-N 0 3 406.483 0.157 20 0 HCADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(C)o1 ZINC000495910337 1077942438 /nfs/dbraw/zinc/94/24/38/1077942438.db2.gz VPIJDYSGZAECJL-HOTGVXAUSA-N 0 3 406.483 0.157 20 0 HCADHN COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(C)o1 ZINC000495910338 1077942224 /nfs/dbraw/zinc/94/22/24/1077942224.db2.gz VPIJDYSGZAECJL-HZPDHXFCSA-N 0 3 406.483 0.157 20 0 HCADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(C)o1 ZINC000495910339 1077943186 /nfs/dbraw/zinc/94/31/86/1077943186.db2.gz VPIJDYSGZAECJL-JKSUJKDBSA-N 0 3 406.483 0.157 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000495923839 1077945505 /nfs/dbraw/zinc/94/55/05/1077945505.db2.gz BINUZRXIHXIKKU-UHFFFAOYSA-N 0 3 412.538 0.799 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCC(=O)OC(C)(C)C)ccc2oc1=O ZINC000495930172 1077949019 /nfs/dbraw/zinc/94/90/19/1077949019.db2.gz OJXXGZHKSZCYMR-UHFFFAOYSA-N 0 3 420.466 0.943 20 0 HCADHN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)C(C)C)cc2)CC1 ZINC000495936335 1077949713 /nfs/dbraw/zinc/94/97/13/1077949713.db2.gz DCQCMSCZYYKBMN-UHFFFAOYSA-N 0 3 424.567 0.952 20 0 HCADHN COc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000495964336 1077953056 /nfs/dbraw/zinc/95/30/56/1077953056.db2.gz BVBHIXXYADPVCN-GOSISDBHSA-N 0 3 401.511 0.168 20 0 HCADHN COc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000495964337 1077953308 /nfs/dbraw/zinc/95/33/08/1077953308.db2.gz BVBHIXXYADPVCN-SFHVURJKSA-N 0 3 401.511 0.168 20 0 HCADHN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)cc2)CC1 ZINC000495971695 1077956484 /nfs/dbraw/zinc/95/64/84/1077956484.db2.gz WEIXXMNYJNNDMB-APWZRJJASA-N 0 3 413.522 0.565 20 0 HCADHN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)cc2)CC1 ZINC000495971696 1077956687 /nfs/dbraw/zinc/95/66/87/1077956687.db2.gz WEIXXMNYJNNDMB-LPHOPBHVSA-N 0 3 413.522 0.565 20 0 HCADHN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H]4CCN(C)C[C@H]43)cc2)CC1 ZINC000495971698 1077956368 /nfs/dbraw/zinc/95/63/68/1077956368.db2.gz WEIXXMNYJNNDMB-QFBILLFUSA-N 0 3 413.522 0.565 20 0 HCADHN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H]4CCN(C)C[C@H]43)cc2)CC1 ZINC000495971700 1077956186 /nfs/dbraw/zinc/95/61/86/1077956186.db2.gz WEIXXMNYJNNDMB-VQIMIIECSA-N 0 3 413.522 0.565 20 0 HCADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccc(C)o1 ZINC000495985395 1077958763 /nfs/dbraw/zinc/95/87/63/1077958763.db2.gz DIGFSQCITGMQRR-INIZCTEOSA-N 0 3 406.483 0.158 20 0 HCADHN COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccc(C)o1 ZINC000495985396 1077958709 /nfs/dbraw/zinc/95/87/09/1077958709.db2.gz DIGFSQCITGMQRR-MRXNPFEDSA-N 0 3 406.483 0.158 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](COC)c2ccc(C)o2)CC1 ZINC000495991548 1077960168 /nfs/dbraw/zinc/96/01/68/1077960168.db2.gz PIROYUYVQGTBCY-INIZCTEOSA-N 0 3 408.499 0.404 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](COC)c2ccc(C)o2)CC1 ZINC000495991550 1077960102 /nfs/dbraw/zinc/96/01/02/1077960102.db2.gz PIROYUYVQGTBCY-MRXNPFEDSA-N 0 3 408.499 0.404 20 0 HCADHN Cn1cc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(-c2ccccc2)n1 ZINC000496017724 1077967151 /nfs/dbraw/zinc/96/71/51/1077967151.db2.gz YYWQWXXVLWWMBV-UHFFFAOYSA-N 0 3 412.538 0.846 20 0 HCADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CCN(C)C)C(C)C)c2)CC1 ZINC000496027185 1077968702 /nfs/dbraw/zinc/96/87/02/1077968702.db2.gz FSOUGYHGXXROBL-UHFFFAOYSA-N 0 3 424.567 0.952 20 0 HCADHN CN1CCN(CCCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000496046514 1077974845 /nfs/dbraw/zinc/97/48/45/1077974845.db2.gz NAOAAJUQSJYFHS-UHFFFAOYSA-N 0 3 400.570 0.900 20 0 HCADHN CN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000496048969 1077975483 /nfs/dbraw/zinc/97/54/83/1077975483.db2.gz UEVGHWNGYRJMOP-INIZCTEOSA-N 0 3 402.495 0.564 20 0 HCADHN CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000496048974 1077975604 /nfs/dbraw/zinc/97/56/04/1077975604.db2.gz UEVGHWNGYRJMOP-MRXNPFEDSA-N 0 3 402.495 0.564 20 0 HCADHN CN1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000496060031 1077980090 /nfs/dbraw/zinc/98/00/90/1077980090.db2.gz HCUCFLIMANXNSA-KRWDZBQOSA-N 0 3 402.495 0.774 20 0 HCADHN CN1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000496060032 1077980199 /nfs/dbraw/zinc/98/01/99/1077980199.db2.gz HCUCFLIMANXNSA-QGZVFWFLSA-N 0 3 402.495 0.774 20 0 HCADHN CN1CCN(CCCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000496062310 1077980461 /nfs/dbraw/zinc/98/04/61/1077980461.db2.gz XKKKAKOOGMPTJS-IBGZPJMESA-N 0 3 408.568 0.984 20 0 HCADHN CN1CCN(CCCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000496062311 1077980813 /nfs/dbraw/zinc/98/08/13/1077980813.db2.gz XKKKAKOOGMPTJS-LJQANCHMSA-N 0 3 408.568 0.984 20 0 HCADHN COc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000496077821 1077986535 /nfs/dbraw/zinc/98/65/35/1077986535.db2.gz GWWWLCWYXCDOSB-UHFFFAOYSA-N 0 3 424.567 0.847 20 0 HCADHN CN1CCN(CCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000496078329 1077988736 /nfs/dbraw/zinc/98/87/36/1077988736.db2.gz PJEIIYGUGDBRTA-HNNXBMFYSA-N 0 3 400.570 0.655 20 0 HCADHN CN1CCN(CCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000496078330 1077988664 /nfs/dbraw/zinc/98/86/64/1077988664.db2.gz PJEIIYGUGDBRTA-OAHLLOKOSA-N 0 3 400.570 0.655 20 0 HCADHN COc1cccc(C[C@@H](C(=O)NCCCN2CCN(C)CC2)n2nnnc2C)c1 ZINC000496092796 1078005372 /nfs/dbraw/zinc/00/53/72/1078005372.db2.gz HPTRSVFWIGYIGM-IBGZPJMESA-N 0 3 401.515 0.528 20 0 HCADHN COc1cccc(C[C@H](C(=O)NCCCN2CCN(C)CC2)n2nnnc2C)c1 ZINC000496092797 1078005458 /nfs/dbraw/zinc/00/54/58/1078005458.db2.gz HPTRSVFWIGYIGM-LJQANCHMSA-N 0 3 401.515 0.528 20 0 HCADHN COc1ccc(N2C[C@@H](C(=O)NCCCN3CCN(C)CC3)CC2=O)c(OC)c1 ZINC000496104411 1078005848 /nfs/dbraw/zinc/00/58/48/1078005848.db2.gz HSYUJUWXXBVBBN-INIZCTEOSA-N 0 3 404.511 0.810 20 0 HCADHN COc1ccc(N2C[C@H](C(=O)NCCCN3CCN(C)CC3)CC2=O)c(OC)c1 ZINC000496104412 1078005775 /nfs/dbraw/zinc/00/57/75/1078005775.db2.gz HSYUJUWXXBVBBN-MRXNPFEDSA-N 0 3 404.511 0.810 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCCN2CCN(C)CC2)s1 ZINC000496107259 1078006098 /nfs/dbraw/zinc/00/60/98/1078006098.db2.gz OAFPCCZKMSTYDM-INIZCTEOSA-N 0 3 414.597 0.963 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCN2CCN(C)CC2)s1 ZINC000496107265 1078006009 /nfs/dbraw/zinc/00/60/09/1078006009.db2.gz OAFPCCZKMSTYDM-MRXNPFEDSA-N 0 3 414.597 0.963 20 0 HCADHN COc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)NC(C)C ZINC000496133816 1078017300 /nfs/dbraw/zinc/01/73/00/1078017300.db2.gz DDKFXGSJMCNIIW-UHFFFAOYSA-N 0 3 412.556 0.749 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCN1CCN(C)CC1 ZINC000496134432 1078016109 /nfs/dbraw/zinc/01/61/09/1078016109.db2.gz LWLXDLZMNUNUOI-SFHVURJKSA-N 0 3 414.547 0.882 20 0 HCADHN CN1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000496135079 1078019626 /nfs/dbraw/zinc/01/96/26/1078019626.db2.gz RZYYBEYXCNUWLO-UHFFFAOYSA-N 0 3 415.585 0.120 20 0 HCADHN COc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000496135104 1078019597 /nfs/dbraw/zinc/01/95/97/1078019597.db2.gz SMXPPJXPJYTPLB-UHFFFAOYSA-N 0 3 410.540 0.503 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000496135125 1078019950 /nfs/dbraw/zinc/01/99/50/1078019950.db2.gz UEHDIPDBVHPUIS-UHFFFAOYSA-N 0 3 412.556 0.287 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000496150461 1078053345 /nfs/dbraw/zinc/05/33/45/1078053345.db2.gz HVNCZWIVLIHSSR-IBGZPJMESA-N 0 3 408.568 0.902 20 0 HCADHN CN1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000496152293 1078053043 /nfs/dbraw/zinc/05/30/43/1078053043.db2.gz ZDFJLAAFNNNUDA-UHFFFAOYSA-N 0 3 410.540 0.075 20 0 HCADHN CSCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000496221072 1078056177 /nfs/dbraw/zinc/05/61/77/1078056177.db2.gz FBOZZJSKMZKMJK-NSHDSACASA-N 0 3 415.566 0.605 20 0 HCADHN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)NC[C@H]1CN(C)CCN1C ZINC000496241855 1078056720 /nfs/dbraw/zinc/05/67/20/1078056720.db2.gz COOAPWXUPDDMJN-NRFANRHFSA-N 0 3 402.587 0.691 20 0 HCADHN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000496241995 1078056541 /nfs/dbraw/zinc/05/65/41/1078056541.db2.gz COOAPWXUPDDMJN-OAQYLSRUSA-N 0 3 402.587 0.691 20 0 HCADHN CCCN(CCN(C)C)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000496244347 1078056930 /nfs/dbraw/zinc/05/69/30/1078056930.db2.gz LDVGDOZCEXVNLX-UHFFFAOYSA-N 0 3 424.567 0.953 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC1(C)C ZINC000496259608 1078057530 /nfs/dbraw/zinc/05/75/30/1078057530.db2.gz ALLXAXJWBZWFGK-IBGZPJMESA-N 0 3 424.586 0.705 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC1(C)C ZINC000496259610 1078057383 /nfs/dbraw/zinc/05/73/83/1078057383.db2.gz ALLXAXJWBZWFGK-LJQANCHMSA-N 0 3 424.586 0.705 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1(C)C ZINC000496260268 1078057439 /nfs/dbraw/zinc/05/74/39/1078057439.db2.gz BTQFQMSIEXLBSB-UHFFFAOYSA-N 0 3 419.545 0.612 20 0 HCADHN CC[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCN1CC(F)F ZINC000496261249 1078057872 /nfs/dbraw/zinc/05/78/72/1078057872.db2.gz DRJMBUVTMZJGGR-HNNXBMFYSA-N 0 3 403.518 0.317 20 0 HCADHN CC[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCN1CC(F)F ZINC000496261250 1078057850 /nfs/dbraw/zinc/05/78/50/1078057850.db2.gz DRJMBUVTMZJGGR-OAHLLOKOSA-N 0 3 403.518 0.317 20 0 HCADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496261274 1078057773 /nfs/dbraw/zinc/05/77/73/1078057773.db2.gz DZENIFLDYVXMFD-JQQNFUDXSA-N 0 3 400.589 0.325 20 0 HCADHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496261275 1078057891 /nfs/dbraw/zinc/05/78/91/1078057891.db2.gz DZENIFLDYVXMFD-KSRHRBNTSA-N 0 3 400.589 0.325 20 0 HCADHN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496261276 1078057789 /nfs/dbraw/zinc/05/77/89/1078057789.db2.gz DZENIFLDYVXMFD-MPEQGZPJSA-N 0 3 400.589 0.325 20 0 HCADHN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496261277 1078057678 /nfs/dbraw/zinc/05/76/78/1078057678.db2.gz DZENIFLDYVXMFD-RSJDLPBQSA-N 0 3 400.589 0.325 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC1(C)C ZINC000496261565 1078057569 /nfs/dbraw/zinc/05/75/69/1078057569.db2.gz FDKCKNFRZDHVED-UHFFFAOYSA-N 0 3 421.489 0.963 20 0 HCADHN Cc1nc(N2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)sc1C ZINC000496262769 1078058131 /nfs/dbraw/zinc/05/81/31/1078058131.db2.gz HSTATQHBASCDAR-UHFFFAOYSA-N 0 3 422.599 0.551 20 0 HCADHN COc1ccc([C@@H](CO)N(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000496263718 1078058264 /nfs/dbraw/zinc/05/82/64/1078058264.db2.gz JEWJCCUIXDLYBY-GOSISDBHSA-N 0 3 406.527 0.329 20 0 HCADHN COc1ccc([C@H](CO)N(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000496263719 1078058091 /nfs/dbraw/zinc/05/80/91/1078058091.db2.gz JEWJCCUIXDLYBY-SFHVURJKSA-N 0 3 406.527 0.329 20 0 HCADHN Cn1cc(-c2ccccc2CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000496264968 1078058144 /nfs/dbraw/zinc/05/81/44/1078058144.db2.gz LGMVJYFBEWYPML-UHFFFAOYSA-N 0 3 412.538 0.846 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N(CCO)[C@H]2CCc3ccccc32)CC1(C)C ZINC000496265818 1078058371 /nfs/dbraw/zinc/05/83/71/1078058371.db2.gz MGJVVIGTTSIIBN-IBGZPJMESA-N 0 3 402.539 0.637 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N(CCO)[C@@H]2CCc3ccccc32)CC1(C)C ZINC000496265823 1078058435 /nfs/dbraw/zinc/05/84/35/1078058435.db2.gz MGJVVIGTTSIIBN-LJQANCHMSA-N 0 3 402.539 0.637 20 0 HCADHN Cn1cc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(C(F)(F)F)n1 ZINC000496266427 1078058229 /nfs/dbraw/zinc/05/82/29/1078058229.db2.gz NHTWCULAEIFBHI-UHFFFAOYSA-N 0 3 404.437 0.197 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1(C)C ZINC000496267384 1078058670 /nfs/dbraw/zinc/05/86/70/1078058670.db2.gz QNZQTOPWYNHNFE-HNNXBMFYSA-N 0 3 423.508 0.802 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1(C)C ZINC000496267385 1078058530 /nfs/dbraw/zinc/05/85/30/1078058530.db2.gz QNZQTOPWYNHNFE-OAHLLOKOSA-N 0 3 423.508 0.802 20 0 HCADHN COCCOc1cc(C)ccc1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496267611 1078058580 /nfs/dbraw/zinc/05/85/80/1078058580.db2.gz RBRFZHVOCZLYOI-UHFFFAOYSA-N 0 3 420.554 0.779 20 0 HCADHN Cn1ccnc1CC1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496267642 1078058472 /nfs/dbraw/zinc/05/84/72/1078058472.db2.gz REMYLDZZODXDLC-UHFFFAOYSA-N 0 3 404.559 0.343 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(c3cc(F)ccc3F)CC2)CC1(C)C ZINC000496267765 1078059143 /nfs/dbraw/zinc/05/91/43/1078059143.db2.gz RRMQKTDCLSYGTM-UHFFFAOYSA-N 0 3 423.508 0.756 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCc2ccnc(OC3CCC3)c2)CC1(C)C ZINC000496268013 1078058825 /nfs/dbraw/zinc/05/88/25/1078058825.db2.gz SSKHOHCVMCQECI-UHFFFAOYSA-N 0 3 403.527 0.771 20 0 HCADHN C[C@H](N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1)C(F)(F)F ZINC000496268134 1078059136 /nfs/dbraw/zinc/05/91/36/1078059136.db2.gz SYANTEJWRKVKLR-AWEZNQCLSA-N 0 3 407.481 0.224 20 0 HCADHN C[C@@H](N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1)C(F)(F)F ZINC000496268135 1078058867 /nfs/dbraw/zinc/05/88/67/1078058867.db2.gz SYANTEJWRKVKLR-CQSZACIVSA-N 0 3 407.481 0.224 20 0 HCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)n1 ZINC000496268205 1078059124 /nfs/dbraw/zinc/05/91/24/1078059124.db2.gz UAOIKEKUKTVQKZ-UHFFFAOYSA-N 0 3 423.587 0.027 20 0 HCADHN Cc1ccnc(N2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)c1 ZINC000496268721 1078059356 /nfs/dbraw/zinc/05/93/56/1078059356.db2.gz VMYOBKWTMHXRCL-UHFFFAOYSA-N 0 3 402.543 0.181 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000496269059 1078059380 /nfs/dbraw/zinc/05/93/80/1078059380.db2.gz WSEJDRUKGZYYAZ-INIZCTEOSA-N 0 3 412.600 0.690 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000496269060 1078059305 /nfs/dbraw/zinc/05/93/05/1078059305.db2.gz WSEJDRUKGZYYAZ-MRXNPFEDSA-N 0 3 412.600 0.690 20 0 HCADHN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496269192 1078059067 /nfs/dbraw/zinc/05/90/67/1078059067.db2.gz XMESNPMGXJFOBJ-MUUNZHRXSA-N 0 3 408.568 0.525 20 0 HCADHN CN(Cc1ccc([S@](C)=O)cc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496269193 1078058912 /nfs/dbraw/zinc/05/89/12/1078058912.db2.gz XMESNPMGXJFOBJ-NDEPHWFRSA-N 0 3 408.568 0.525 20 0 HCADHN CC[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496269206 1078059175 /nfs/dbraw/zinc/05/91/75/1078059175.db2.gz XPXYCUWNEANYDP-IBGZPJMESA-N 0 3 404.555 0.928 20 0 HCADHN CC[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496269207 1078058987 /nfs/dbraw/zinc/05/89/87/1078058987.db2.gz XPXYCUWNEANYDP-LJQANCHMSA-N 0 3 404.555 0.928 20 0 HCADHN COc1cccc(O[C@@H](C)CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000496269221 1078059012 /nfs/dbraw/zinc/05/90/12/1078059012.db2.gz XXQSLANMHVPDPJ-INIZCTEOSA-N 0 3 406.527 0.721 20 0 HCADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000496269222 1078058889 /nfs/dbraw/zinc/05/88/89/1078058889.db2.gz XXQSLANMHVPDPJ-MRXNPFEDSA-N 0 3 406.527 0.721 20 0 HCADHN C[C@H](O)C[C@@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000496279933 1078059608 /nfs/dbraw/zinc/05/96/08/1078059608.db2.gz ARCDHJNANOKREB-HKUYNNGSSA-N 0 3 404.555 0.800 20 0 HCADHN C[C@@H](O)C[C@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000496279935 1078059746 /nfs/dbraw/zinc/05/97/46/1078059746.db2.gz ARCDHJNANOKREB-IEBWSBKVSA-N 0 3 404.555 0.800 20 0 HCADHN C[C@@H](O)C[C@@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000496279936 1078059688 /nfs/dbraw/zinc/05/96/88/1078059688.db2.gz ARCDHJNANOKREB-MJGOQNOKSA-N 0 3 404.555 0.800 20 0 HCADHN C[C@H](O)C[C@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000496279938 1078059759 /nfs/dbraw/zinc/05/97/59/1078059759.db2.gz ARCDHJNANOKREB-PKOBYXMFSA-N 0 3 404.555 0.800 20 0 HCADHN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496280266 1078059665 /nfs/dbraw/zinc/05/96/65/1078059665.db2.gz BVUKISVIIQIQQO-HNNXBMFYSA-N 0 3 405.547 0.495 20 0 HCADHN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496280267 1078059551 /nfs/dbraw/zinc/05/95/51/1078059551.db2.gz BVUKISVIIQIQQO-OAHLLOKOSA-N 0 3 405.547 0.495 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1(C)C ZINC000496280956 1078060203 /nfs/dbraw/zinc/06/02/03/1078060203.db2.gz DJUPXMRQJHHCDL-GOSISDBHSA-N 0 3 404.511 0.434 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1(C)C ZINC000496280962 1078060079 /nfs/dbraw/zinc/06/00/79/1078060079.db2.gz DJUPXMRQJHHCDL-SFHVURJKSA-N 0 3 404.511 0.434 20 0 HCADHN C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000496281102 1078060058 /nfs/dbraw/zinc/06/00/58/1078060058.db2.gz FCDAIFNOZZNBPQ-INIZCTEOSA-N 0 3 413.526 0.587 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000496281104 1078060156 /nfs/dbraw/zinc/06/01/56/1078060156.db2.gz FCDAIFNOZZNBPQ-MRXNPFEDSA-N 0 3 413.526 0.587 20 0 HCADHN COc1ccccc1OC[C@@H](C)CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496281105 1078059992 /nfs/dbraw/zinc/05/99/92/1078059992.db2.gz FCOLRWREBGVVQI-KRWDZBQOSA-N 0 3 420.554 0.969 20 0 HCADHN COc1ccccc1OC[C@H](C)CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496281108 1078060041 /nfs/dbraw/zinc/06/00/41/1078060041.db2.gz FCOLRWREBGVVQI-QGZVFWFLSA-N 0 3 420.554 0.969 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)CC1(C)C ZINC000496282443 1078060559 /nfs/dbraw/zinc/06/05/59/1078060559.db2.gz IXLIGFCIWYCYOY-UHFFFAOYSA-N 0 3 406.506 0.012 20 0 HCADHN Cn1ccnc1C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496282510 1078060390 /nfs/dbraw/zinc/06/03/90/1078060390.db2.gz JDOZXQMPNDHHRU-KRWDZBQOSA-N 0 3 404.559 0.343 20 0 HCADHN Cn1ccnc1C[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496282511 1078060526 /nfs/dbraw/zinc/06/05/26/1078060526.db2.gz JDOZXQMPNDHHRU-QGZVFWFLSA-N 0 3 404.559 0.343 20 0 HCADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CCSC)CC2)c1 ZINC000496283300 1078060572 /nfs/dbraw/zinc/06/05/72/1078060572.db2.gz LFPQWVCNYIGCPP-AWEZNQCLSA-N 0 3 417.553 0.617 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@]3(CCc4ccccc43)C2)CC1(C)C ZINC000496283676 1078060502 /nfs/dbraw/zinc/06/05/02/1078060502.db2.gz MKMLIPKHBVJYFR-HSZRJFAPSA-N 0 3 414.550 0.829 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)CC1(C)C ZINC000496283677 1078060359 /nfs/dbraw/zinc/06/03/59/1078060359.db2.gz MKMLIPKHBVJYFR-QHCPKHFHSA-N 0 3 414.550 0.829 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1(C)C ZINC000496283904 1078060490 /nfs/dbraw/zinc/06/04/90/1078060490.db2.gz MSXNCFWJXVHNML-INIZCTEOSA-N 0 3 417.558 0.530 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC1(C)C ZINC000496283905 1078060423 /nfs/dbraw/zinc/06/04/23/1078060423.db2.gz MSXNCFWJXVHNML-MRXNPFEDSA-N 0 3 417.558 0.530 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1(C)C ZINC000496284691 1078060745 /nfs/dbraw/zinc/06/07/45/1078060745.db2.gz OROAEUBXQSCRDM-GOSISDBHSA-N 0 3 421.586 0.426 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1(C)C ZINC000496284695 1078060860 /nfs/dbraw/zinc/06/08/60/1078060860.db2.gz OROAEUBXQSCRDM-SFHVURJKSA-N 0 3 421.586 0.426 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC000496284753 1078060705 /nfs/dbraw/zinc/06/07/05/1078060705.db2.gz PAMJODZAZTXCIL-IBGZPJMESA-N 0 3 402.539 0.599 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1(C)C ZINC000496284754 1078060815 /nfs/dbraw/zinc/06/08/15/1078060815.db2.gz PAMJODZAZTXCIL-LJQANCHMSA-N 0 3 402.539 0.599 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(c3ncccc3F)CC2)CC1(C)C ZINC000496284997 1078060846 /nfs/dbraw/zinc/06/08/46/1078060846.db2.gz PNLYWWNRNOTDIB-UHFFFAOYSA-N 0 3 406.506 0.012 20 0 HCADHN CC(=O)N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC12CCCCC2 ZINC000496285006 1078060921 /nfs/dbraw/zinc/06/09/21/1078060921.db2.gz PQZLAPJRQJLCNN-UHFFFAOYSA-N 0 3 421.586 0.522 20 0 HCADHN COc1ccc(OC)c(CCCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000496285165 1078060904 /nfs/dbraw/zinc/06/09/04/1078060904.db2.gz QBXVKMSRXCICKN-UHFFFAOYSA-N 0 3 420.554 0.895 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCc3c(cnn3-c3ccccc3)C2)CC1(C)C ZINC000496285839 1078060894 /nfs/dbraw/zinc/06/08/94/1078060894.db2.gz RZJUMEIWYXWJRF-UHFFFAOYSA-N 0 3 424.549 0.899 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCc2cccnc2OCC(F)F)CC1(C)C ZINC000496285887 1078060834 /nfs/dbraw/zinc/06/08/34/1078060834.db2.gz SGXMFOBUJLOLMR-UHFFFAOYSA-N 0 3 413.469 0.484 20 0 HCADHN Cc1ccnc(OC2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)c1 ZINC000496286136 1078060727 /nfs/dbraw/zinc/06/07/27/1078060727.db2.gz SSPZTTOCWAYODT-UHFFFAOYSA-N 0 3 417.554 0.902 20 0 HCADHN CC(=O)N1CC[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000496287231 1078060875 /nfs/dbraw/zinc/06/08/75/1078060875.db2.gz VXGDOPWRTQRVKY-GOSISDBHSA-N 0 3 415.538 0.743 20 0 HCADHN CC(=O)N1CC[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000496287235 1078061144 /nfs/dbraw/zinc/06/11/44/1078061144.db2.gz VXGDOPWRTQRVKY-SFHVURJKSA-N 0 3 415.538 0.743 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N(Cc2ccccc2)CC(C)(C)O)CC1(C)C ZINC000496287268 1078061055 /nfs/dbraw/zinc/06/10/55/1078061055.db2.gz WBRYLZFVOZMCMI-UHFFFAOYSA-N 0 3 404.555 0.928 20 0 HCADHN Cc1ccn(-c2ccccc2CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC000496288011 1078061563 /nfs/dbraw/zinc/06/15/63/1078061563.db2.gz XRWPJMHTHVTXNY-UHFFFAOYSA-N 0 3 412.538 0.939 20 0 HCADHN COc1cccc([C@@H]2CN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CCO2)c1 ZINC000496288027 1078061694 /nfs/dbraw/zinc/06/16/94/1078061694.db2.gz XVVVOVXYHMAHCY-IBGZPJMESA-N 0 3 418.538 0.737 20 0 HCADHN COc1cccc([C@H]2CN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CCO2)c1 ZINC000496288030 1078061649 /nfs/dbraw/zinc/06/16/49/1078061649.db2.gz XVVVOVXYHMAHCY-LJQANCHMSA-N 0 3 418.538 0.737 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)CC1(C)C ZINC000496288128 1078061327 /nfs/dbraw/zinc/06/13/27/1078061327.db2.gz YMDIKNPPNVDHFD-GOSISDBHSA-N 0 3 412.538 0.952 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@H](n3ncc4ccccc43)C2)CC1(C)C ZINC000496288129 1078061663 /nfs/dbraw/zinc/06/16/63/1078061663.db2.gz YMDIKNPPNVDHFD-SFHVURJKSA-N 0 3 412.538 0.952 20 0 HCADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496288135 1078061773 /nfs/dbraw/zinc/06/17/73/1078061773.db2.gz YNJUTBLTGJLPSF-KRWDZBQOSA-N 0 3 417.554 0.532 20 0 HCADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496288136 1078061747 /nfs/dbraw/zinc/06/17/47/1078061747.db2.gz YNJUTBLTGJLPSF-QGZVFWFLSA-N 0 3 417.554 0.532 20 0 HCADHN CCCN(CCN(C)C)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000496293871 1078062185 /nfs/dbraw/zinc/06/21/85/1078062185.db2.gz YUNXCJRKTWXRQH-UHFFFAOYSA-N 0 3 424.567 0.953 20 0 HCADHN CCCN(CCN(C)C)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC000496299892 1078062281 /nfs/dbraw/zinc/06/22/81/1078062281.db2.gz CQZQTLLRXRKMAC-UHFFFAOYSA-N 0 3 400.545 0.679 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCSC[C@H]2c2nccs2)CC1(C)C ZINC000496301515 1078062268 /nfs/dbraw/zinc/06/22/68/1078062268.db2.gz CUEUWHPKUMYHKO-AWEZNQCLSA-N 0 3 411.597 0.902 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1(C)C ZINC000496301520 1078062217 /nfs/dbraw/zinc/06/22/17/1078062217.db2.gz CUEUWHPKUMYHKO-CQSZACIVSA-N 0 3 411.597 0.902 20 0 HCADHN Cn1c(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)nc2cccc(Cl)c21 ZINC000496302925 1078061445 /nfs/dbraw/zinc/06/14/45/1078061445.db2.gz FNTYYSLEXNRULB-UHFFFAOYSA-N 0 3 420.945 0.985 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCc2ncc(-c3ccccc3)cn2)CC1(C)C ZINC000496304719 1078061380 /nfs/dbraw/zinc/06/13/80/1078061380.db2.gz GTQTXRRNALOHTL-UHFFFAOYSA-N 0 3 410.522 0.902 20 0 HCADHN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496304746 1078061366 /nfs/dbraw/zinc/06/13/66/1078061366.db2.gz GUZPZXDJFSQILJ-UHFFFAOYSA-N 0 3 420.539 0.498 20 0 HCADHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496306152 1078061424 /nfs/dbraw/zinc/06/14/24/1078061424.db2.gz IAPUJRVQCKKYNF-KRWDZBQOSA-N 0 3 420.558 0.079 20 0 HCADHN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496306166 1078061353 /nfs/dbraw/zinc/06/13/53/1078061353.db2.gz IAPUJRVQCKKYNF-QGZVFWFLSA-N 0 3 420.558 0.079 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](CCc3ccccc3)C2)CC1(C)C ZINC000496311476 1078062877 /nfs/dbraw/zinc/06/28/77/1078062877.db2.gz MVAFAVJVLPYHOW-FQEVSTJZSA-N 0 3 416.566 0.989 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](CCc3ccccc3)C2)CC1(C)C ZINC000496311487 1078063060 /nfs/dbraw/zinc/06/30/60/1078063060.db2.gz MVAFAVJVLPYHOW-HXUWFJFHSA-N 0 3 416.566 0.989 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCCc2ccc(F)c(F)c2F)CC1(C)C ZINC000496311564 1078063068 /nfs/dbraw/zinc/06/30/68/1078063068.db2.gz MZMOHTOKEYKDDG-UHFFFAOYSA-N 0 3 400.445 0.905 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCc3c(ncn3-c3ccccc3)C2)CC1(C)C ZINC000496312552 1078063084 /nfs/dbraw/zinc/06/30/84/1078063084.db2.gz OBIITBISWWFXAW-UHFFFAOYSA-N 0 3 424.549 0.899 20 0 HCADHN C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496312912 1078063046 /nfs/dbraw/zinc/06/30/46/1078063046.db2.gz OTUPFBZCUJHUCX-INIZCTEOSA-N 0 3 422.599 0.491 20 0 HCADHN C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496312914 1078062895 /nfs/dbraw/zinc/06/28/95/1078062895.db2.gz OTUPFBZCUJHUCX-MRXNPFEDSA-N 0 3 422.599 0.491 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1(C)C ZINC000496313698 1078062925 /nfs/dbraw/zinc/06/29/25/1078062925.db2.gz PNJYBIKNBQDEFB-UHFFFAOYSA-N 0 3 417.558 0.078 20 0 HCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)CCC2 ZINC000496314409 1078063027 /nfs/dbraw/zinc/06/30/27/1078063027.db2.gz QBZXSKUQYSQQHI-KRWDZBQOSA-N 0 3 420.558 0.165 20 0 HCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)CCC2 ZINC000496314415 1078062947 /nfs/dbraw/zinc/06/29/47/1078062947.db2.gz QBZXSKUQYSQQHI-QGZVFWFLSA-N 0 3 420.558 0.165 20 0 HCADHN Cc1csc([C@@H]2COCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC000496316698 1078062814 /nfs/dbraw/zinc/06/28/14/1078062814.db2.gz XPSZMTUGACGRFW-HNNXBMFYSA-N 0 3 409.556 0.494 20 0 HCADHN Cc1csc([C@H]2COCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC000496316700 1078062990 /nfs/dbraw/zinc/06/29/90/1078062990.db2.gz XPSZMTUGACGRFW-OAHLLOKOSA-N 0 3 409.556 0.494 20 0 HCADHN Cc1csc(NC2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)n1 ZINC000496316826 1078063261 /nfs/dbraw/zinc/06/32/61/1078063261.db2.gz XSKAZNNQWQDYGF-UHFFFAOYSA-N 0 3 422.599 0.997 20 0 HCADHN Cn1nc(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000496317030 1078063372 /nfs/dbraw/zinc/06/33/72/1078063372.db2.gz ZMDSZRAYOQTQDY-UHFFFAOYSA-N 0 3 400.527 0.374 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@]3(C2)OCc2ccccc23)CC1(C)C ZINC000496317068 1078063338 /nfs/dbraw/zinc/06/33/38/1078063338.db2.gz ZXAJAOXMZRNRPQ-JOCHJYFZSA-N 0 3 400.523 0.787 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)OCc2ccccc23)CC1(C)C ZINC000496317069 1078063183 /nfs/dbraw/zinc/06/31/83/1078063183.db2.gz ZXAJAOXMZRNRPQ-QFIPXVFZSA-N 0 3 400.523 0.787 20 0 HCADHN Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000496317707 1078063316 /nfs/dbraw/zinc/06/33/16/1078063316.db2.gz ASVWMRFATKDDRX-INIZCTEOSA-N 0 3 408.572 0.179 20 0 HCADHN Cn1cc([C@H]2CSCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000496317708 1078063234 /nfs/dbraw/zinc/06/32/34/1078063234.db2.gz ASVWMRFATKDDRX-MRXNPFEDSA-N 0 3 408.572 0.179 20 0 HCADHN CC[C@@H](CO)N(Cc1ccccc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496320596 1078063285 /nfs/dbraw/zinc/06/32/85/1078063285.db2.gz DJTXJQXLMBZWFB-IBGZPJMESA-N 0 3 404.555 0.928 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CC1(C)C ZINC000496322043 1078063495 /nfs/dbraw/zinc/06/34/95/1078063495.db2.gz FRQHSJJCDXDMDT-IBGZPJMESA-N 0 3 418.538 0.435 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1(C)C ZINC000496322044 1078063507 /nfs/dbraw/zinc/06/35/07/1078063507.db2.gz FRQHSJJCDXDMDT-LJQANCHMSA-N 0 3 418.538 0.435 20 0 HCADHN Cn1c(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)nc2cc(Cl)ccc21 ZINC000496322982 1078063516 /nfs/dbraw/zinc/06/35/16/1078063516.db2.gz HHWBJOJAQFKYDP-UHFFFAOYSA-N 0 3 420.945 0.985 20 0 HCADHN CCn1nccc1C1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496323315 1078063561 /nfs/dbraw/zinc/06/35/61/1078063561.db2.gz HXHJLTGTFYFKFN-UHFFFAOYSA-N 0 3 404.559 0.751 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCc2cc(COC(C)(C)C)on2)CC1(C)C ZINC000496324204 1078063638 /nfs/dbraw/zinc/06/36/38/1078063638.db2.gz IMEMKLQPFAQIAK-UHFFFAOYSA-N 0 3 409.531 0.748 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1(C)C ZINC000496325104 1078063823 /nfs/dbraw/zinc/06/38/23/1078063823.db2.gz JIWOYGLBRCIZDN-SJORKVTESA-N 0 3 407.559 0.036 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H](Oc3ncccc3F)C2)CC1(C)C ZINC000496327387 1078063799 /nfs/dbraw/zinc/06/37/99/1078063799.db2.gz LMMLWLUIFCTLIV-INIZCTEOSA-N 0 3 421.517 0.733 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)CC1(C)C ZINC000496327395 1078063922 /nfs/dbraw/zinc/06/39/22/1078063922.db2.gz LMMLWLUIFCTLIV-MRXNPFEDSA-N 0 3 421.517 0.733 20 0 HCADHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496327471 1078063849 /nfs/dbraw/zinc/06/38/49/1078063849.db2.gz LQFQOGYCJIBXTJ-HCXYKTFWSA-N 0 3 408.587 0.917 20 0 HCADHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496327473 1078063873 /nfs/dbraw/zinc/06/38/73/1078063873.db2.gz LQFQOGYCJIBXTJ-MKXGPGLRSA-N 0 3 408.587 0.917 20 0 HCADHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496327475 1078064301 /nfs/dbraw/zinc/06/43/01/1078064301.db2.gz LQFQOGYCJIBXTJ-XWSJACJDSA-N 0 3 408.587 0.917 20 0 HCADHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496327478 1078064284 /nfs/dbraw/zinc/06/42/84/1078064284.db2.gz LQFQOGYCJIBXTJ-YRXWBPOGSA-N 0 3 408.587 0.917 20 0 HCADHN Cc1ccncc1N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496327522 1078063891 /nfs/dbraw/zinc/06/38/91/1078063891.db2.gz LUVHXIFOQSQAKG-UHFFFAOYSA-N 0 3 402.543 0.181 20 0 HCADHN CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)CC2 ZINC000496329288 1078062171 /nfs/dbraw/zinc/06/21/71/1078062171.db2.gz NKPLJBPNEUXCJE-KRWDZBQOSA-N 0 3 404.559 0.580 20 0 HCADHN CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)CC2 ZINC000496329290 1078062237 /nfs/dbraw/zinc/06/22/37/1078062237.db2.gz NKPLJBPNEUXCJE-QGZVFWFLSA-N 0 3 404.559 0.580 20 0 HCADHN CN1C[C@H](CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)Cc2ccccc21 ZINC000496331386 1078062701 /nfs/dbraw/zinc/06/27/01/1078062701.db2.gz PLBXWXVXAWXEOX-KRWDZBQOSA-N 0 3 401.555 0.554 20 0 HCADHN CN1C[C@@H](CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)Cc2ccccc21 ZINC000496331388 1078062604 /nfs/dbraw/zinc/06/26/04/1078062604.db2.gz PLBXWXVXAWXEOX-QGZVFWFLSA-N 0 3 401.555 0.554 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)CC1(C)C ZINC000496331462 1078062539 /nfs/dbraw/zinc/06/25/39/1078062539.db2.gz PVFPMWCJRZJHSC-UHFFFAOYSA-N 0 3 418.473 0.634 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000496332335 1078062550 /nfs/dbraw/zinc/06/25/50/1078062550.db2.gz QWJQCNKLAWJXSJ-GOSISDBHSA-N 0 3 421.586 0.569 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000496332338 1078062526 /nfs/dbraw/zinc/06/25/26/1078062526.db2.gz QWJQCNKLAWJXSJ-SFHVURJKSA-N 0 3 421.586 0.569 20 0 HCADHN CNC(=O)C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000496333197 1078062514 /nfs/dbraw/zinc/06/25/14/1078062514.db2.gz SNZXOWZSMCQBDY-KRWDZBQOSA-N 0 3 403.527 0.122 20 0 HCADHN CNC(=O)C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000496333198 1078062970 /nfs/dbraw/zinc/06/29/70/1078062970.db2.gz SNZXOWZSMCQBDY-QGZVFWFLSA-N 0 3 403.527 0.122 20 0 HCADHN CCCn1ccnc1CCCN(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496334371 1078065360 /nfs/dbraw/zinc/06/53/60/1078065360.db2.gz VLTNVYVJEROWKI-UHFFFAOYSA-N 0 3 406.575 0.826 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC000496334628 1078065371 /nfs/dbraw/zinc/06/53/71/1078065371.db2.gz WDOJUEUMYJDBBW-UHFFFAOYSA-N 0 3 421.508 0.519 20 0 HCADHN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496334652 1078065392 /nfs/dbraw/zinc/06/53/92/1078065392.db2.gz WKROMOGWHCBYQH-NRFANRHFSA-N 0 3 410.559 0.566 20 0 HCADHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496334653 1078065564 /nfs/dbraw/zinc/06/55/64/1078065564.db2.gz WKROMOGWHCBYQH-OAQYLSRUSA-N 0 3 410.559 0.566 20 0 HCADHN Cc1cnccc1OC1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496334969 1078065612 /nfs/dbraw/zinc/06/56/12/1078065612.db2.gz XZVIIAWLCOWLDQ-UHFFFAOYSA-N 0 3 417.554 0.902 20 0 HCADHN COCCN(Cc1scnc1C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496334983 1078065431 /nfs/dbraw/zinc/06/54/31/1078065431.db2.gz YELQMXQPTVPTQA-UHFFFAOYSA-N 0 3 411.572 0.569 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@]2(CO)Cc2ccccc2)CC1(C)C ZINC000496335013 1078065472 /nfs/dbraw/zinc/06/54/72/1078065472.db2.gz YMUIIROOSNFSLC-HSZRJFAPSA-N 0 3 416.566 0.725 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)CC1(C)C ZINC000496335014 1078065517 /nfs/dbraw/zinc/06/55/17/1078065517.db2.gz YMUIIROOSNFSLC-QHCPKHFHSA-N 0 3 416.566 0.725 20 0 HCADHN C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[C@@H](C)O2 ZINC000496335025 1078065630 /nfs/dbraw/zinc/06/56/30/1078065630.db2.gz YQXBDFQAADAEPP-CBGDNZLLSA-N 0 3 410.559 0.314 20 0 HCADHN C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[C@H](C)O2 ZINC000496335026 1078065533 /nfs/dbraw/zinc/06/55/33/1078065533.db2.gz YQXBDFQAADAEPP-LLGFUMIMSA-N 0 3 410.559 0.314 20 0 HCADHN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[C@@H](C)O2 ZINC000496335027 1078065290 /nfs/dbraw/zinc/06/52/90/1078065290.db2.gz YQXBDFQAADAEPP-LZJOCLMNSA-N 0 3 410.559 0.314 20 0 HCADHN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[C@H](C)O2 ZINC000496335028 1078065549 /nfs/dbraw/zinc/06/55/49/1078065549.db2.gz YQXBDFQAADAEPP-WWMYMODYSA-N 0 3 410.559 0.314 20 0 HCADHN COc1cccc2c1CCN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)CC2 ZINC000496335087 1078065760 /nfs/dbraw/zinc/06/57/60/1078065760.db2.gz ZHPIJNMQEKZNTA-UHFFFAOYSA-N 0 3 402.539 0.765 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1(C)C ZINC000496337932 1078065813 /nfs/dbraw/zinc/06/58/13/1078065813.db2.gz CRJDLNRGLCBBPL-UHFFFAOYSA-N 0 3 405.518 0.617 20 0 HCADHN Cc1ccccc1CN1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496342665 1078066004 /nfs/dbraw/zinc/06/60/04/1078066004.db2.gz JEWOVRCUHDIOEA-UHFFFAOYSA-N 0 3 415.582 0.781 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1(C)C ZINC000496349683 1078064230 /nfs/dbraw/zinc/06/42/30/1078064230.db2.gz SLLVQPSCFNESJD-UHFFFAOYSA-N 0 3 415.538 0.113 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCc2ccncc2OCC(F)F)CC1(C)C ZINC000496350309 1078064375 /nfs/dbraw/zinc/06/43/75/1078064375.db2.gz URDJRICNGHMJIT-UHFFFAOYSA-N 0 3 413.469 0.484 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1(C)C ZINC000496350843 1078064106 /nfs/dbraw/zinc/06/41/06/1078064106.db2.gz UZVZYMGIQWNBKY-MSOLQXFVSA-N 0 3 421.586 0.426 20 0 HCADHN Cc1ccc2c(c1)nc(CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)n2C ZINC000496351293 1078064251 /nfs/dbraw/zinc/06/42/51/1078064251.db2.gz WNYIHFXNBCZZFL-UHFFFAOYSA-N 0 3 400.527 0.640 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC(Oc3ncccc3F)CC2)CC1(C)C ZINC000496351307 1078064268 /nfs/dbraw/zinc/06/42/68/1078064268.db2.gz WQKGNHRSMQYTIW-UHFFFAOYSA-N 0 3 421.517 0.733 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)CC1(C)C ZINC000496351648 1078064165 /nfs/dbraw/zinc/06/41/65/1078064165.db2.gz WTYZHIWLNMZDLS-HSZRJFAPSA-N 0 3 416.566 0.681 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@](CO)(c3ccccc3)C2)CC1(C)C ZINC000496351649 1078064359 /nfs/dbraw/zinc/06/43/59/1078064359.db2.gz WTYZHIWLNMZDLS-QHCPKHFHSA-N 0 3 416.566 0.681 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)CC1(C)C ZINC000496351654 1078064207 /nfs/dbraw/zinc/06/42/07/1078064207.db2.gz WUUAWVMPVDLSNY-NRFANRHFSA-N 0 3 410.559 0.315 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)CC1(C)C ZINC000496351656 1078064186 /nfs/dbraw/zinc/06/41/86/1078064186.db2.gz WUUAWVMPVDLSNY-OAQYLSRUSA-N 0 3 410.559 0.315 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(c3ccccc3F)CC2)CC1(C)C ZINC000496351781 1078064392 /nfs/dbraw/zinc/06/43/92/1078064392.db2.gz XNPSPHRDAPNRES-UHFFFAOYSA-N 0 3 405.518 0.617 20 0 HCADHN CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C1CCN(c2cnccn2)CC1 ZINC000496352273 1078064313 /nfs/dbraw/zinc/06/43/13/1078064313.db2.gz YQOFZYSCEAGFJK-UHFFFAOYSA-N 0 3 417.558 0.046 20 0 HCADHN Cc1ccccc1N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496352577 1078064061 /nfs/dbraw/zinc/06/40/61/1078064061.db2.gz ZVTPEJNXJXBHPI-UHFFFAOYSA-N 0 3 401.555 0.786 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC000496355962 1078064665 /nfs/dbraw/zinc/06/46/65/1078064665.db2.gz FHYFTNBOADONEJ-UHFFFAOYSA-N 0 3 401.555 0.473 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CC1(C)C ZINC000496356281 1078064723 /nfs/dbraw/zinc/06/47/23/1078064723.db2.gz GCGRLZUJVUSNOR-UHFFFAOYSA-N 0 3 415.582 0.516 20 0 HCADHN Cc1cccc(CN2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)c1 ZINC000496357580 1078064707 /nfs/dbraw/zinc/06/47/07/1078064707.db2.gz HLVDVUYQGRRRNL-UHFFFAOYSA-N 0 3 415.582 0.781 20 0 HCADHN COc1ccc(OCCN(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000496357591 1078064537 /nfs/dbraw/zinc/06/45/37/1078064537.db2.gz HOFOQMADZBXLSC-UHFFFAOYSA-N 0 3 406.527 0.675 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)CC1(C)C ZINC000496357671 1078064590 /nfs/dbraw/zinc/06/45/90/1078064590.db2.gz ILBXRDWNZZINGO-UHFFFAOYSA-N 0 3 407.481 0.225 20 0 HCADHN COC[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000496358205 1078064617 /nfs/dbraw/zinc/06/46/17/1078064617.db2.gz IVQCUYDVWCIFRP-KRWDZBQOSA-N 0 3 412.481 0.911 20 0 HCADHN COC[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000496358207 1078064682 /nfs/dbraw/zinc/06/46/82/1078064682.db2.gz IVQCUYDVWCIFRP-QGZVFWFLSA-N 0 3 412.481 0.911 20 0 HCADHN CN1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000496358288 1078065032 /nfs/dbraw/zinc/06/50/32/1078065032.db2.gz JINIPRNSZHXPTP-IBGZPJMESA-N 0 3 401.555 0.644 20 0 HCADHN CN1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000496358289 1078065127 /nfs/dbraw/zinc/06/51/27/1078065127.db2.gz JINIPRNSZHXPTP-LJQANCHMSA-N 0 3 401.555 0.644 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000496359172 1078064817 /nfs/dbraw/zinc/06/48/17/1078064817.db2.gz KODQIPAGJXHITN-GOSISDBHSA-N 0 3 406.502 0.868 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000496359173 1078065073 /nfs/dbraw/zinc/06/50/73/1078065073.db2.gz KODQIPAGJXHITN-SFHVURJKSA-N 0 3 406.502 0.868 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)CC1(C)C ZINC000496359836 1078065175 /nfs/dbraw/zinc/06/51/75/1078065175.db2.gz LFLLEBHBZYGNPP-UHFFFAOYSA-N 0 3 403.527 0.183 20 0 HCADHN Cc1nc(CN2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)cs1 ZINC000496361811 1078064996 /nfs/dbraw/zinc/06/49/96/1078064996.db2.gz NIRJPJYUZUFALB-UHFFFAOYSA-N 0 3 422.599 0.238 20 0 HCADHN CCCCCNC(=O)C1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496362548 1078064927 /nfs/dbraw/zinc/06/49/27/1078064927.db2.gz ODQQIFGDZRUAPK-UHFFFAOYSA-N 0 3 423.602 0.674 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1(C)C ZINC000496362646 1078064886 /nfs/dbraw/zinc/06/48/86/1078064886.db2.gz PAAAAHHZCLQGAW-UHFFFAOYSA-N 0 3 407.584 0.535 20 0 HCADHN CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496363347 1078065047 /nfs/dbraw/zinc/06/50/47/1078065047.db2.gz PMRBOSKKQJMIFE-INIZCTEOSA-N 0 3 404.511 0.427 20 0 HCADHN CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496363349 1078064828 /nfs/dbraw/zinc/06/48/28/1078064828.db2.gz PMRBOSKKQJMIFE-MRXNPFEDSA-N 0 3 404.511 0.427 20 0 HCADHN CCC[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCN1CCOC ZINC000496363435 1078064868 /nfs/dbraw/zinc/06/48/68/1078064868.db2.gz PSAPNAIRJXNJFG-GOSISDBHSA-N 0 3 411.591 0.088 20 0 HCADHN CCC[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCN1CCOC ZINC000496363436 1078064967 /nfs/dbraw/zinc/06/49/67/1078064967.db2.gz PSAPNAIRJXNJFG-SFHVURJKSA-N 0 3 411.591 0.088 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000496365562 1078065156 /nfs/dbraw/zinc/06/51/56/1078065156.db2.gz UHMJYTSKOCVBPI-HNNXBMFYSA-N 0 3 422.961 0.572 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000496365565 1078065334 /nfs/dbraw/zinc/06/53/34/1078065334.db2.gz UHMJYTSKOCVBPI-OAHLLOKOSA-N 0 3 422.961 0.572 20 0 HCADHN COc1cccc(N2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)c1 ZINC000496365908 1078065450 /nfs/dbraw/zinc/06/54/50/1078065450.db2.gz VBOJIWFUPAJQPT-UHFFFAOYSA-N 0 3 417.554 0.486 20 0 HCADHN CN(Cc1cnn(-c2ccccc2)c1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496366526 1078065582 /nfs/dbraw/zinc/06/55/82/1078065582.db2.gz VJLBXZXOUAZDBB-UHFFFAOYSA-N 0 3 412.538 0.973 20 0 HCADHN CCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496367205 1078066666 /nfs/dbraw/zinc/06/66/66/1078066666.db2.gz WMWRLBGEJLLKMR-UHFFFAOYSA-N 0 3 404.511 0.906 20 0 HCADHN COc1ccccc1N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496367240 1078066646 /nfs/dbraw/zinc/06/66/46/1078066646.db2.gz WQKDEJFGOAMQFY-UHFFFAOYSA-N 0 3 417.554 0.486 20 0 HCADHN Cc1cccc(N2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)c1 ZINC000496367282 1078066672 /nfs/dbraw/zinc/06/66/72/1078066672.db2.gz WWEJITZJUXDIGF-UHFFFAOYSA-N 0 3 401.555 0.786 20 0 HCADHN COc1cc(CN(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc(OC)c1 ZINC000496373694 1078066825 /nfs/dbraw/zinc/06/68/25/1078066825.db2.gz BKSBYZIOGLHNBL-UHFFFAOYSA-N 0 3 406.527 0.804 20 0 HCADHN COCCN(CCc1ccccc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496375043 1078066952 /nfs/dbraw/zinc/06/69/52/1078066952.db2.gz GASHTSNVTMGJCY-UHFFFAOYSA-N 0 3 404.555 0.846 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N(Cc2ccco2)C[C@H]2CCCO2)CC1(C)C ZINC000496375328 1078067062 /nfs/dbraw/zinc/06/70/62/1078067062.db2.gz HEUURMXHTDLCCN-GOSISDBHSA-N 0 3 406.527 0.929 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)CC1(C)C ZINC000496375329 1078066888 /nfs/dbraw/zinc/06/68/88/1078066888.db2.gz HEUURMXHTDLCCN-SFHVURJKSA-N 0 3 406.527 0.929 20 0 HCADHN Cc1csc(N2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)n1 ZINC000496376255 1078067307 /nfs/dbraw/zinc/06/73/07/1078067307.db2.gz JPQHDAYEPSAFSG-UHFFFAOYSA-N 0 3 408.572 0.242 20 0 HCADHN CCN(CC)C(=O)C1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496377648 1078066337 /nfs/dbraw/zinc/06/63/37/1078066337.db2.gz LFWVLCGUCKUOOO-UHFFFAOYSA-N 0 3 409.575 0.236 20 0 HCADHN COc1ccc(CN(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(OC)c1 ZINC000496378592 1078066683 /nfs/dbraw/zinc/06/66/83/1078066683.db2.gz MUWMMUUIXLEINF-UHFFFAOYSA-N 0 3 406.527 0.804 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCCN(c3nccs3)CC2)CC1(C)C ZINC000496379195 1078066596 /nfs/dbraw/zinc/06/65/96/1078066596.db2.gz NSUAHEXJEIRJPD-UHFFFAOYSA-N 0 3 408.572 0.324 20 0 HCADHN COc1c(C)cnc(CN(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1C ZINC000496379196 1078066577 /nfs/dbraw/zinc/06/65/77/1078066577.db2.gz NTHWKWYDYHCMTQ-UHFFFAOYSA-N 0 3 405.543 0.808 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCCN(c3ccccc3)CC2)CC1(C)C ZINC000496379235 1078066656 /nfs/dbraw/zinc/06/66/56/1078066656.db2.gz NUBPQOZLNXWQJP-UHFFFAOYSA-N 0 3 401.555 0.868 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC1(C)C ZINC000496380277 1078066531 /nfs/dbraw/zinc/06/65/31/1078066531.db2.gz PRDSASXHPMBTJM-UHFFFAOYSA-N 0 3 421.586 0.380 20 0 HCADHN COc1ccccc1CN(CCO)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496381867 1078069045 /nfs/dbraw/zinc/06/90/45/1078069045.db2.gz TUJLMAINUNHDHD-UHFFFAOYSA-N 0 3 406.527 0.158 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(C(=O)c3ccsc3)CC2)CC1(C)C ZINC000496381925 1078069068 /nfs/dbraw/zinc/06/90/68/1078069068.db2.gz UODNYGPDTCRMFB-UHFFFAOYSA-N 0 3 421.567 0.175 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1(C)C ZINC000496384794 1078067168 /nfs/dbraw/zinc/06/71/68/1078067168.db2.gz ZJMGKHRZXUTDNF-UHFFFAOYSA-N 0 3 422.961 0.526 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(CCc3cccs3)CC2)CC1(C)C ZINC000496384832 1078067329 /nfs/dbraw/zinc/06/73/29/1078067329.db2.gz ZXBUIFRBCXPMSX-UHFFFAOYSA-N 0 3 421.611 0.577 20 0 HCADHN COc1ccccc1O[C@@H](C)CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496392332 1078067976 /nfs/dbraw/zinc/06/79/76/1078067976.db2.gz BTXIPXIEYQJKQE-INIZCTEOSA-N 0 3 406.527 0.721 20 0 HCADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496392333 1078067739 /nfs/dbraw/zinc/06/77/39/1078067739.db2.gz BTXIPXIEYQJKQE-MRXNPFEDSA-N 0 3 406.527 0.721 20 0 HCADHN COCCCN(Cc1ccncc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496392626 1078067696 /nfs/dbraw/zinc/06/76/96/1078067696.db2.gz DABAWNLUTKAAPS-UHFFFAOYSA-N 0 3 405.543 0.589 20 0 HCADHN CN(Cc1nccn1CC(F)(F)F)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496392694 1078067674 /nfs/dbraw/zinc/06/76/74/1078067674.db2.gz DWZXVPGZLAPLEQ-UHFFFAOYSA-N 0 3 418.464 0.546 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1(C)C ZINC000496392914 1078067947 /nfs/dbraw/zinc/06/79/47/1078067947.db2.gz FGCVMIDICYLMSP-GOSISDBHSA-N 0 3 406.502 0.868 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1(C)C ZINC000496392915 1078067837 /nfs/dbraw/zinc/06/78/37/1078067837.db2.gz FGCVMIDICYLMSP-SFHVURJKSA-N 0 3 406.502 0.868 20 0 HCADHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496392946 1078068317 /nfs/dbraw/zinc/06/83/17/1078068317.db2.gz FNHGKLWGWGVHNB-MSOLQXFVSA-N 0 3 423.602 0.672 20 0 HCADHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496392947 1078068089 /nfs/dbraw/zinc/06/80/89/1078068089.db2.gz FNHGKLWGWGVHNB-QZTJIDSGSA-N 0 3 423.602 0.672 20 0 HCADHN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496392948 1078068351 /nfs/dbraw/zinc/06/83/51/1078068351.db2.gz FNHGKLWGWGVHNB-ROUUACIJSA-N 0 3 423.602 0.672 20 0 HCADHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496392949 1078068235 /nfs/dbraw/zinc/06/82/35/1078068235.db2.gz FNHGKLWGWGVHNB-ZWKOTPCHSA-N 0 3 423.602 0.672 20 0 HCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496392965 1078068188 /nfs/dbraw/zinc/06/81/88/1078068188.db2.gz FPFLRGQEMVWUOB-KRWDZBQOSA-N 0 3 409.575 0.139 20 0 HCADHN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496392966 1078068073 /nfs/dbraw/zinc/06/80/73/1078068073.db2.gz FPFLRGQEMVWUOB-QGZVFWFLSA-N 0 3 409.575 0.139 20 0 HCADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392978 1078068153 /nfs/dbraw/zinc/06/81/53/1078068153.db2.gz FRUCVPVZRAAJBA-CEXWTWQISA-N 0 3 423.602 0.229 20 0 HCADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC000496392979 1078068288 /nfs/dbraw/zinc/06/82/88/1078068288.db2.gz FRUCVPVZRAAJBA-GUDVDZBRSA-N 0 3 423.602 0.229 20 0 HCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392980 1078068435 /nfs/dbraw/zinc/06/84/35/1078068435.db2.gz FRUCVPVZRAAJBA-OTWHNJEPSA-N 0 3 423.602 0.229 20 0 HCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC000496392981 1078068216 /nfs/dbraw/zinc/06/82/16/1078068216.db2.gz FRUCVPVZRAAJBA-QRVBRYPASA-N 0 3 423.602 0.229 20 0 HCADHN CCC[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1nnc2ccccn21 ZINC000496392982 1078068059 /nfs/dbraw/zinc/06/80/59/1078068059.db2.gz FSGFRTRKSRCPKE-INIZCTEOSA-N 0 3 415.542 0.829 20 0 HCADHN CCC[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1nnc2ccccn21 ZINC000496392983 1078068332 /nfs/dbraw/zinc/06/83/32/1078068332.db2.gz FSGFRTRKSRCPKE-MRXNPFEDSA-N 0 3 415.542 0.829 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1(C)C ZINC000496393437 1078067863 /nfs/dbraw/zinc/06/78/63/1078067863.db2.gz HVWRWSKZROVLQD-KRWDZBQOSA-N 0 3 423.602 0.530 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1(C)C ZINC000496393438 1078067762 /nfs/dbraw/zinc/06/77/62/1078067762.db2.gz HVWRWSKZROVLQD-QGZVFWFLSA-N 0 3 423.602 0.530 20 0 HCADHN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496393704 1078067799 /nfs/dbraw/zinc/06/77/99/1078067799.db2.gz ISWCZTRNDRFPRX-KRWDZBQOSA-N 0 3 409.575 0.284 20 0 HCADHN CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496393705 1078067963 /nfs/dbraw/zinc/06/79/63/1078067963.db2.gz ISWCZTRNDRFPRX-QGZVFWFLSA-N 0 3 409.575 0.284 20 0 HCADHN CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496396234 1078068715 /nfs/dbraw/zinc/06/87/15/1078068715.db2.gz SEBBXRLZIGVBIW-IBGZPJMESA-N 0 3 420.554 0.165 20 0 HCADHN CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496396238 1078068639 /nfs/dbraw/zinc/06/86/39/1078068639.db2.gz SEBBXRLZIGVBIW-LJQANCHMSA-N 0 3 420.554 0.165 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496396354 1078068696 /nfs/dbraw/zinc/06/86/96/1078068696.db2.gz SNIBGUABCFBBIA-LJQANCHMSA-N 0 3 415.582 0.862 20 0 HCADHN C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496397074 1078068621 /nfs/dbraw/zinc/06/86/21/1078068621.db2.gz WIBMUHNYANYKSW-GOSISDBHSA-N 0 3 416.570 0.429 20 0 HCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496397075 1078068737 /nfs/dbraw/zinc/06/87/37/1078068737.db2.gz WIBMUHNYANYKSW-SFHVURJKSA-N 0 3 416.570 0.429 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCCN(Cc3cscn3)CC2)CC1(C)C ZINC000496397566 1078068569 /nfs/dbraw/zinc/06/85/69/1078068569.db2.gz XGCWBIHVJQQZTH-UHFFFAOYSA-N 0 3 422.599 0.320 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1(C)C ZINC000496397866 1078068654 /nfs/dbraw/zinc/06/86/54/1078068654.db2.gz YVJOAAHIFJEMSK-GOSISDBHSA-N 0 3 406.502 0.868 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1(C)C ZINC000496397867 1078068601 /nfs/dbraw/zinc/06/86/01/1078068601.db2.gz YVJOAAHIFJEMSK-SFHVURJKSA-N 0 3 406.502 0.868 20 0 HCADHN Cc1nc(CN2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)oc1C ZINC000496409454 1078070582 /nfs/dbraw/zinc/07/05/82/1078070582.db2.gz BTHIGVOLVHIXEV-UHFFFAOYSA-N 0 3 420.558 0.078 20 0 HCADHN CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC000496409931 1078069293 /nfs/dbraw/zinc/06/92/93/1078069293.db2.gz FBGLQDDMTVJAOT-AWEZNQCLSA-N 0 3 410.519 0.268 20 0 HCADHN CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC000496409936 1078069339 /nfs/dbraw/zinc/06/93/39/1078069339.db2.gz FBGLQDDMTVJAOT-CQSZACIVSA-N 0 3 410.519 0.268 20 0 HCADHN CCc1cnc(N2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)s1 ZINC000496409982 1078069384 /nfs/dbraw/zinc/06/93/84/1078069384.db2.gz FKEYXYMSTLWIQD-UHFFFAOYSA-N 0 3 422.599 0.496 20 0 HCADHN CN(C)C(=O)c1cccc(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000496411559 1078069401 /nfs/dbraw/zinc/06/94/01/1078069401.db2.gz MVCZXRNNEJTINK-UHFFFAOYSA-N 0 3 417.554 0.189 20 0 HCADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C(=O)N1c1ccccc1 ZINC000496411614 1078069274 /nfs/dbraw/zinc/06/92/74/1078069274.db2.gz NMZUYYVARSUJDQ-AEFFLSMTSA-N 0 3 415.538 0.439 20 0 HCADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C(=O)N1c1ccccc1 ZINC000496411615 1078069397 /nfs/dbraw/zinc/06/93/97/1078069397.db2.gz NMZUYYVARSUJDQ-FUHWJXTLSA-N 0 3 415.538 0.439 20 0 HCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C(=O)N1c1ccccc1 ZINC000496411616 1078069410 /nfs/dbraw/zinc/06/94/10/1078069410.db2.gz NMZUYYVARSUJDQ-SJLPKXTDSA-N 0 3 415.538 0.439 20 0 HCADHN C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C(=O)N1c1ccccc1 ZINC000496411617 1078069362 /nfs/dbraw/zinc/06/93/62/1078069362.db2.gz NMZUYYVARSUJDQ-WMZOPIPTSA-N 0 3 415.538 0.439 20 0 HCADHN CCc1ccc([C@@H]2COCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)o1 ZINC000496411959 1078069753 /nfs/dbraw/zinc/06/97/53/1078069753.db2.gz PCOBRHWXRHCLQU-KRWDZBQOSA-N 0 3 406.527 0.884 20 0 HCADHN CCc1ccc([C@H]2COCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)o1 ZINC000496411960 1078069661 /nfs/dbraw/zinc/06/96/61/1078069661.db2.gz PCOBRHWXRHCLQU-QGZVFWFLSA-N 0 3 406.527 0.884 20 0 HCADHN CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000496412103 1078069407 /nfs/dbraw/zinc/06/94/07/1078069407.db2.gz PUSJSZSHLVHRPC-GOSISDBHSA-N 0 3 415.538 0.393 20 0 HCADHN CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000496412104 1078069404 /nfs/dbraw/zinc/06/94/04/1078069404.db2.gz PUSJSZSHLVHRPC-SFHVURJKSA-N 0 3 415.538 0.393 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496413051 1078069611 /nfs/dbraw/zinc/06/96/11/1078069611.db2.gz SNIBGUABCFBBIA-IBGZPJMESA-N 0 3 415.582 0.862 20 0 HCADHN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496413708 1078069537 /nfs/dbraw/zinc/06/95/37/1078069537.db2.gz VJKKVUJJRGBDNK-UHFFFAOYSA-N 0 3 424.567 0.191 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)CC1(C)C ZINC000496414880 1078069632 /nfs/dbraw/zinc/06/96/32/1078069632.db2.gz XYOUQDVFBPAJOJ-UHFFFAOYSA-N 0 3 407.462 0.920 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)CC1(C)C ZINC000496415359 1078069705 /nfs/dbraw/zinc/06/97/05/1078069705.db2.gz ZFZCARPSYVRMHL-GOSISDBHSA-N 0 3 415.538 0.218 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)CC1(C)C ZINC000496415360 1078069502 /nfs/dbraw/zinc/06/95/02/1078069502.db2.gz ZFZCARPSYVRMHL-SFHVURJKSA-N 0 3 415.538 0.218 20 0 HCADHN CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)o1 ZINC000496513923 1078077136 /nfs/dbraw/zinc/07/71/36/1078077136.db2.gz HPXWZFLXDNVGLB-DLBZAZTESA-N 0 3 420.510 0.411 20 0 HCADHN CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)o1 ZINC000496513945 1078077239 /nfs/dbraw/zinc/07/72/39/1078077239.db2.gz HPXWZFLXDNVGLB-IAGOWNOFSA-N 0 3 420.510 0.411 20 0 HCADHN CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)o1 ZINC000496513946 1078077197 /nfs/dbraw/zinc/07/71/97/1078077197.db2.gz HPXWZFLXDNVGLB-IRXDYDNUSA-N 0 3 420.510 0.411 20 0 HCADHN CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)o1 ZINC000496513947 1078077144 /nfs/dbraw/zinc/07/71/44/1078077144.db2.gz HPXWZFLXDNVGLB-SJORKVTESA-N 0 3 420.510 0.411 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000496574133 1078078850 /nfs/dbraw/zinc/07/88/50/1078078850.db2.gz QCCPAXNMYJCAPL-DLBZAZTESA-N 0 3 410.540 0.860 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000496574134 1078078824 /nfs/dbraw/zinc/07/88/24/1078078824.db2.gz QCCPAXNMYJCAPL-IRXDYDNUSA-N 0 3 410.540 0.860 20 0 HCADHN O=C(NCCCN1CCN(CCCNC(=O)[C@@H]2CCCCO2)CC1)[C@H]1CCCCO1 ZINC000496598358 1078079290 /nfs/dbraw/zinc/07/92/90/1078079290.db2.gz FSUUWICLSJDGLY-BGYRXZFFSA-N 0 3 424.586 0.755 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000496633401 1078081681 /nfs/dbraw/zinc/08/16/81/1078081681.db2.gz SOTZVCJRFJTQOO-CVEARBPZSA-N 0 3 402.561 0.601 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000496633402 1078081636 /nfs/dbraw/zinc/08/16/36/1078081636.db2.gz SOTZVCJRFJTQOO-HOTGVXAUSA-N 0 3 402.561 0.601 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000496633403 1078081713 /nfs/dbraw/zinc/08/17/13/1078081713.db2.gz SOTZVCJRFJTQOO-HZPDHXFCSA-N 0 3 402.561 0.601 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000496633404 1078081699 /nfs/dbraw/zinc/08/16/99/1078081699.db2.gz SOTZVCJRFJTQOO-JKSUJKDBSA-N 0 3 402.561 0.601 20 0 HCADHN Cc1ncc(C(=O)NCCCN2CCN(CCCNC(=O)c3cnc(C)[nH]3)CC2)[nH]1 ZINC000496735306 1078088026 /nfs/dbraw/zinc/08/80/26/1078088026.db2.gz FIZQXBAAPQCECW-UHFFFAOYSA-N 0 3 416.530 0.307 20 0 HCADHN O=C(NCCCN1CCN(CCCNC(=O)[C@H]2CCCOC2)CC1)[C@@H]1CCCOC1 ZINC000496752105 1078088592 /nfs/dbraw/zinc/08/85/92/1078088592.db2.gz HQQMHTYVZUDXLU-BGYRXZFFSA-N 0 3 424.586 0.470 20 0 HCADHN C[C@]1(C(=O)NCCCN2CCN(CCCNC(=O)[C@]3(C)CCCO3)CC2)CCCO1 ZINC000496785975 1078090018 /nfs/dbraw/zinc/09/00/18/1078090018.db2.gz QFKCFNJETCBHGA-SZPZYZBQSA-N 0 3 424.586 0.755 20 0 HCADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC000496802250 1078091121 /nfs/dbraw/zinc/09/11/21/1078091121.db2.gz HUGYMDAGKHSUNU-AWEZNQCLSA-N 0 3 404.475 0.574 20 0 HCADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC000496802255 1078091189 /nfs/dbraw/zinc/09/11/89/1078091189.db2.gz HUGYMDAGKHSUNU-CQSZACIVSA-N 0 3 404.475 0.574 20 0 HCADHN CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000496986171 1078109278 /nfs/dbraw/zinc/10/92/78/1078109278.db2.gz AGFIIKFCQZEXMB-NRFANRHFSA-N 0 3 404.555 0.982 20 0 HCADHN CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000496986172 1078109529 /nfs/dbraw/zinc/10/95/29/1078109529.db2.gz AGFIIKFCQZEXMB-OAQYLSRUSA-N 0 3 404.555 0.982 20 0 HCADHN CN(C[C@H](O)CN1CCOCC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000497037628 1078121584 /nfs/dbraw/zinc/12/15/84/1078121584.db2.gz XNLSMMDSZSLRGC-NRFANRHFSA-N 0 3 404.555 0.740 20 0 HCADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000497037629 1078121434 /nfs/dbraw/zinc/12/14/34/1078121434.db2.gz XNLSMMDSZSLRGC-OAQYLSRUSA-N 0 3 404.555 0.740 20 0 HCADHN O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)[C@@H]1CN2CCN1CCC2 ZINC000497126955 1078141894 /nfs/dbraw/zinc/14/18/94/1078141894.db2.gz UXNMKSKEVDWZPD-IBGZPJMESA-N 0 3 424.542 0.875 20 0 HCADHN O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)[C@H]1CN2CCN1CCC2 ZINC000497126956 1078141753 /nfs/dbraw/zinc/14/17/53/1078141753.db2.gz UXNMKSKEVDWZPD-LJQANCHMSA-N 0 3 424.542 0.875 20 0 HCADHN CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)o1 ZINC000497159936 1078149845 /nfs/dbraw/zinc/14/98/45/1078149845.db2.gz HWANHKHMSYPRAP-KRWDZBQOSA-N 0 3 422.526 0.658 20 0 HCADHN CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)o1 ZINC000497159937 1078149683 /nfs/dbraw/zinc/14/96/83/1078149683.db2.gz HWANHKHMSYPRAP-QGZVFWFLSA-N 0 3 422.526 0.658 20 0 HCADHN CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)o1 ZINC000497164201 1078150552 /nfs/dbraw/zinc/15/05/52/1078150552.db2.gz QIYNGWIVMDIZPD-KRWDZBQOSA-N 0 3 420.510 0.412 20 0 HCADHN CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)o1 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1078218208 /nfs/dbraw/zinc/21/82/08/1078218208.db2.gz UKJIQMIJGXGWBF-MRXNPFEDSA-N 0 3 411.572 0.935 20 0 HCADHN CCNC(=O)COc1cccc(CNC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000497376134 1078221783 /nfs/dbraw/zinc/22/17/83/1078221783.db2.gz GYAYTKXVAFOSSS-UHFFFAOYSA-N 0 3 405.543 0.980 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)o1 ZINC000497378262 1078223846 /nfs/dbraw/zinc/22/38/46/1078223846.db2.gz GXUOYKRUDJDVGO-CVEARBPZSA-N 0 3 411.524 0.514 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)o1 ZINC000497378263 1078223966 /nfs/dbraw/zinc/22/39/66/1078223966.db2.gz GXUOYKRUDJDVGO-HOTGVXAUSA-N 0 3 411.524 0.514 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)o1 ZINC000497378264 1078223927 /nfs/dbraw/zinc/22/39/27/1078223927.db2.gz GXUOYKRUDJDVGO-HZPDHXFCSA-N 0 3 411.524 0.514 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)o1 ZINC000497378265 1078223893 /nfs/dbraw/zinc/22/38/93/1078223893.db2.gz GXUOYKRUDJDVGO-JKSUJKDBSA-N 0 3 411.524 0.514 20 0 HCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000497383850 1078227739 /nfs/dbraw/zinc/22/77/39/1078227739.db2.gz FAHOOGLUOUCSOW-AEFFLSMTSA-N 0 3 410.540 0.847 20 0 HCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000497383856 1078227883 /nfs/dbraw/zinc/22/78/83/1078227883.db2.gz FAHOOGLUOUCSOW-FUHWJXTLSA-N 0 3 410.540 0.847 20 0 HCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000497383857 1078227707 /nfs/dbraw/zinc/22/77/07/1078227707.db2.gz FAHOOGLUOUCSOW-SJLPKXTDSA-N 0 3 410.540 0.847 20 0 HCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000497383858 1078227803 /nfs/dbraw/zinc/22/78/03/1078227803.db2.gz FAHOOGLUOUCSOW-WMZOPIPTSA-N 0 3 410.540 0.847 20 0 HCADHN CN1C[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H](c2ccccc2)C1 ZINC000497385052 1078231358 /nfs/dbraw/zinc/23/13/58/1078231358.db2.gz LRAWVZSLMWBZAY-BDXSIMOUSA-N 0 3 405.520 0.236 20 0 HCADHN CN1C[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000497385054 1078231251 /nfs/dbraw/zinc/23/12/51/1078231251.db2.gz LRAWVZSLMWBZAY-TVFCKZIOSA-N 0 3 405.520 0.236 20 0 HCADHN CN1C[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000497385056 1078231416 /nfs/dbraw/zinc/23/14/16/1078231416.db2.gz LRAWVZSLMWBZAY-XDNAFOTISA-N 0 3 405.520 0.236 20 0 HCADHN CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC000497388466 1078229941 /nfs/dbraw/zinc/22/99/41/1078229941.db2.gz UASZRXFNYBFVAB-AABGKKOBSA-N 0 3 400.523 0.381 20 0 HCADHN CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497388467 1078230101 /nfs/dbraw/zinc/23/01/01/1078230101.db2.gz UASZRXFNYBFVAB-AQNXPRMDSA-N 0 3 400.523 0.381 20 0 HCADHN CN1C[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC000497388470 1078230037 /nfs/dbraw/zinc/23/00/37/1078230037.db2.gz UASZRXFNYBFVAB-UFYCRDLUSA-N 0 3 400.523 0.381 20 0 HCADHN CN1C[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497388473 1078230170 /nfs/dbraw/zinc/23/01/70/1078230170.db2.gz UASZRXFNYBFVAB-ZCNNSNEGSA-N 0 3 400.523 0.381 20 0 HCADHN CN(C)C(=O)COc1cccc(CNC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000497394916 1078235822 /nfs/dbraw/zinc/23/58/22/1078235822.db2.gz ZSYJVDFDTKMGBA-UHFFFAOYSA-N 0 3 405.543 0.933 20 0 HCADHN CN(C)S(=O)(=O)c1ccc(CNC(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000497395167 1078235655 /nfs/dbraw/zinc/23/56/55/1078235655.db2.gz MCDDGZHRLJCVDE-UHFFFAOYSA-N 0 3 411.572 0.716 20 0 HCADHN CS(=O)(=O)N(CC(F)(F)F)C1CCN(CCC(=O)N2CCOCC2)CC1 ZINC000497401107 1078232639 /nfs/dbraw/zinc/23/26/39/1078232639.db2.gz MQRUQHWBTJCYLD-UHFFFAOYSA-N 0 3 401.451 0.524 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)o1 ZINC000497402764 1078233461 /nfs/dbraw/zinc/23/34/61/1078233461.db2.gz VQIXFWSXEOJEQM-UHFFFAOYSA-N 0 3 416.482 0.316 20 0 HCADHN Cn1c2ncn(CCN3CCC[C@@H](CNC(=O)C(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000497408471 1078238929 /nfs/dbraw/zinc/23/89/29/1078238929.db2.gz XTJMWMXZNOOWNK-AWEZNQCLSA-N 0 3 404.515 0.308 20 0 HCADHN Cn1c2ncn(CCN3CCC[C@H](CNC(=O)C(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000497408472 1078238836 /nfs/dbraw/zinc/23/88/36/1078238836.db2.gz XTJMWMXZNOOWNK-CQSZACIVSA-N 0 3 404.515 0.308 20 0 HCADHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000497414828 1078236393 /nfs/dbraw/zinc/23/63/93/1078236393.db2.gz FBMKEIOOUHNYOR-GXTWGEPZSA-N 0 3 407.268 0.925 20 0 HCADHN CN1C[C@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](c2ccccc2)C1 ZINC000497414831 1078236351 /nfs/dbraw/zinc/23/63/51/1078236351.db2.gz FBMKEIOOUHNYOR-JSGCOSHPSA-N 0 3 407.268 0.925 20 0 HCADHN CN1C[C@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](c2ccccc2)C1 ZINC000497414833 1078236069 /nfs/dbraw/zinc/23/60/69/1078236069.db2.gz FBMKEIOOUHNYOR-OCCSQVGLSA-N 0 3 407.268 0.925 20 0 HCADHN CN1C[C@@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](c2ccccc2)C1 ZINC000497414835 1078236318 /nfs/dbraw/zinc/23/63/18/1078236318.db2.gz FBMKEIOOUHNYOR-TZMCWYRMSA-N 0 3 407.268 0.925 20 0 HCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000497416422 1078236148 /nfs/dbraw/zinc/23/61/48/1078236148.db2.gz KJTFQJKVLVLSKV-FHLIZLRMSA-N 0 3 419.551 0.918 20 0 HCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000497416423 1078236365 /nfs/dbraw/zinc/23/63/65/1078236365.db2.gz KJTFQJKVLVLSKV-JLSDUUJJSA-N 0 3 419.551 0.918 20 0 HCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000497416424 1078236338 /nfs/dbraw/zinc/23/63/38/1078236338.db2.gz KJTFQJKVLVLSKV-OLMNPRSZSA-N 0 3 419.551 0.918 20 0 HCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000497416425 1078236197 /nfs/dbraw/zinc/23/61/97/1078236197.db2.gz KJTFQJKVLVLSKV-ZTFGCOKTSA-N 0 3 419.551 0.918 20 0 HCADHN CN1C[C@H](NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](c2ccccc2)C1 ZINC000497418518 1078237215 /nfs/dbraw/zinc/23/72/15/1078237215.db2.gz QOOVRICEBXYTON-CVEARBPZSA-N 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Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cn1C ZINC000497431019 1078240255 /nfs/dbraw/zinc/24/02/55/1078240255.db2.gz RKGZLBATYVUCRH-IRXDYDNUSA-N 0 3 405.524 0.611 20 0 HCADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cn1C ZINC000497431021 1078240243 /nfs/dbraw/zinc/24/02/43/1078240243.db2.gz RKGZLBATYVUCRH-SJORKVTESA-N 0 3 405.524 0.611 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000497471673 1078251030 /nfs/dbraw/zinc/25/10/30/1078251030.db2.gz YBMIORPKSUWZMH-UHFFFAOYSA-N 0 3 411.572 0.552 20 0 HCADHN O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N1CCN2CCC1CC2 ZINC000497475327 1078255583 /nfs/dbraw/zinc/25/55/83/1078255583.db2.gz XMFZGWRBWNJFCH-KRWDZBQOSA-N 0 3 415.542 0.772 20 0 HCADHN O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N1CCN2CCC1CC2 ZINC000497475329 1078255635 /nfs/dbraw/zinc/25/56/35/1078255635.db2.gz XMFZGWRBWNJFCH-QGZVFWFLSA-N 0 3 415.542 0.772 20 0 HCADHN CNS(=O)(=O)c1ccc(CNC(=O)N(C)CCCN2CCN(C)CC2)s1 ZINC000497476886 1078259149 /nfs/dbraw/zinc/25/91/49/1078259149.db2.gz HALGPSXAIVXJOZ-UHFFFAOYSA-N 0 3 403.574 0.435 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000497477900 1078259237 /nfs/dbraw/zinc/25/92/37/1078259237.db2.gz DFAAIEZRHQATAJ-IBGZPJMESA-N 0 3 419.574 0.720 20 0 HCADHN CN1CCN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1Cc1ccccc1 ZINC000497477976 1078259119 /nfs/dbraw/zinc/25/91/19/1078259119.db2.gz FGIJEVMHMJETEP-JOCHJYFZSA-N 0 3 417.598 0.945 20 0 HCADHN CN1CCN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H]1Cc1ccccc1 ZINC000497477977 1078259214 /nfs/dbraw/zinc/25/92/14/1078259214.db2.gz FGIJEVMHMJETEP-QFIPXVFZSA-N 0 3 417.598 0.945 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000497479605 1078259135 /nfs/dbraw/zinc/25/91/35/1078259135.db2.gz LZFMTHRHSZGOMO-UHFFFAOYSA-N 0 3 417.554 0.938 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000497479973 1078259847 /nfs/dbraw/zinc/25/98/47/1078259847.db2.gz BZLPNFSYTRJSTF-IBGZPJMESA-N 0 3 424.590 0.356 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000497479975 1078260008 /nfs/dbraw/zinc/26/00/08/1078260008.db2.gz BZLPNFSYTRJSTF-LJQANCHMSA-N 0 3 424.590 0.356 20 0 HCADHN COC(=O)[C@]12CN(C(=O)NCCCCN3CCN(CCO)CC3)C[C@H]1CCCC2 ZINC000497480225 1078260027 /nfs/dbraw/zinc/26/00/27/1078260027.db2.gz JUOXZNHEOOMVGG-WIYYLYMNSA-N 0 3 410.559 0.751 20 0 HCADHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000497480606 1078259962 /nfs/dbraw/zinc/25/99/62/1078259962.db2.gz KPWOFRYDDQBQLT-ICSRJNTNSA-N 0 3 422.574 0.983 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)NCCn1cc(Br)cn1 ZINC000497481228 1078260074 /nfs/dbraw/zinc/26/00/74/1078260074.db2.gz MOLCVYXDRWQENF-UHFFFAOYSA-N 0 3 417.352 0.335 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)CC1=O ZINC000497485471 1078256682 /nfs/dbraw/zinc/25/66/82/1078256682.db2.gz IQTAJJOTEBJOSD-INIZCTEOSA-N 0 3 408.524 0.205 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)CC1=O ZINC000497485472 1078256632 /nfs/dbraw/zinc/25/66/32/1078256632.db2.gz IQTAJJOTEBJOSD-MRXNPFEDSA-N 0 3 408.524 0.205 20 0 HCADHN CS(=O)(=O)C1(CNC(=O)NCCCCN2CCN(CCO)CC2)CCCC1 ZINC000497486289 1078257156 /nfs/dbraw/zinc/25/71/56/1078257156.db2.gz XEMMEGPIRBZOEZ-UHFFFAOYSA-N 0 3 404.577 0.033 20 0 HCADHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000497487006 1078257541 /nfs/dbraw/zinc/25/75/41/1078257541.db2.gz CUIPTHQNMRGAAR-HSALFYBXSA-N 0 3 412.575 0.602 20 0 HCADHN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000497487007 1078257618 /nfs/dbraw/zinc/25/76/18/1078257618.db2.gz CUIPTHQNMRGAAR-SLFFLAALSA-N 0 3 412.575 0.602 20 0 HCADHN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000497487008 1078257524 /nfs/dbraw/zinc/25/75/24/1078257524.db2.gz CUIPTHQNMRGAAR-VAMGGRTRSA-N 0 3 412.575 0.602 20 0 HCADHN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000497487009 1078257584 /nfs/dbraw/zinc/25/75/84/1078257584.db2.gz CUIPTHQNMRGAAR-XUVXKRRUSA-N 0 3 412.575 0.602 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000497494879 1078263215 /nfs/dbraw/zinc/26/32/15/1078263215.db2.gz XDZKCIZVPUSVHT-OALUTQOASA-N 0 3 410.584 0.856 20 0 HCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4CCN(C)C[C@@H]43)CC2)cn1 ZINC000497498876 1078260282 /nfs/dbraw/zinc/26/02/82/1078260282.db2.gz XCSOGUWCGDETET-PBHICJAKSA-N 0 3 410.544 0.309 20 0 HCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4CCN(C)C[C@H]43)CC2)cn1 ZINC000497498878 1078260394 /nfs/dbraw/zinc/26/03/94/1078260394.db2.gz XCSOGUWCGDETET-RHSMWYFYSA-N 0 3 410.544 0.309 20 0 HCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4CCN(C)C[C@H]43)CC2)cn1 ZINC000497498879 1078260508 /nfs/dbraw/zinc/26/05/08/1078260508.db2.gz XCSOGUWCGDETET-WMLDXEAASA-N 0 3 410.544 0.309 20 0 HCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)CC2)cn1 ZINC000497498880 1078260455 /nfs/dbraw/zinc/26/04/55/1078260455.db2.gz XCSOGUWCGDETET-YOEHRIQHSA-N 0 3 410.544 0.309 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000497503140 1078262549 /nfs/dbraw/zinc/26/25/49/1078262549.db2.gz JZWPRNLKDFZGSD-IBGZPJMESA-N 0 3 422.618 0.504 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000497503143 1078262472 /nfs/dbraw/zinc/26/24/72/1078262472.db2.gz JZWPRNLKDFZGSD-LJQANCHMSA-N 0 3 422.618 0.504 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000497509474 1078266607 /nfs/dbraw/zinc/26/66/07/1078266607.db2.gz KARYGQRTCKFHGK-IBGZPJMESA-N 0 3 417.554 0.945 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000497509475 1078266489 /nfs/dbraw/zinc/26/64/89/1078266489.db2.gz KARYGQRTCKFHGK-LJQANCHMSA-N 0 3 417.554 0.945 20 0 HCADHN C[C@H](CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1)CN1CCN(C)CC1 ZINC000497510696 1078266812 /nfs/dbraw/zinc/26/68/12/1078266812.db2.gz NJJNEFWYIAJOTJ-GOSISDBHSA-N 0 3 408.591 0.113 20 0 HCADHN C[C@@H](CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1)CN1CCN(C)CC1 ZINC000497510697 1078266827 /nfs/dbraw/zinc/26/68/27/1078266827.db2.gz NJJNEFWYIAJOTJ-SFHVURJKSA-N 0 3 408.591 0.113 20 0 HCADHN CCCCn1c(N)c(N(Cc2ccco2)C(=O)C(C)S(C)(=O)=O)c(=O)[nH]c1=O ZINC000497554043 1078273565 /nfs/dbraw/zinc/27/35/65/1078273565.db2.gz XJGPVEOAQZZXPV-LLVKDONJSA-N 0 3 412.468 0.891 20 0 HCADHN CCCCn1c(N)c(N(Cc2ccco2)C(=O)C(C)S(C)(=O)=O)c(=O)[nH]c1=O ZINC000497554044 1078273594 /nfs/dbraw/zinc/27/35/94/1078273594.db2.gz XJGPVEOAQZZXPV-NSHDSACASA-N 0 3 412.468 0.891 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000497618742 1078293995 /nfs/dbraw/zinc/29/39/95/1078293995.db2.gz BPXMURCDCGRGEJ-UHFFFAOYSA-N 0 3 412.556 0.748 20 0 HCADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000497633071 1078294704 /nfs/dbraw/zinc/29/47/04/1078294704.db2.gz QXWMTUIGBPPOMI-INIZCTEOSA-N 0 3 411.572 0.935 20 0 HCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000497633072 1078294662 /nfs/dbraw/zinc/29/46/62/1078294662.db2.gz QXWMTUIGBPPOMI-MRXNPFEDSA-N 0 3 411.572 0.935 20 0 HCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000497635152 1078294932 /nfs/dbraw/zinc/29/49/32/1078294932.db2.gz XLIUNASCGSMSBM-DOTOQJQBSA-N 0 3 410.540 0.535 20 0 HCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000497635153 1078295079 /nfs/dbraw/zinc/29/50/79/1078295079.db2.gz XLIUNASCGSMSBM-NVXWUHKLSA-N 0 3 410.540 0.535 20 0 HCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000497635154 1078295036 /nfs/dbraw/zinc/29/50/36/1078295036.db2.gz XLIUNASCGSMSBM-RDJZCZTQSA-N 0 3 410.540 0.535 20 0 HCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000497635155 1078294951 /nfs/dbraw/zinc/29/49/51/1078294951.db2.gz XLIUNASCGSMSBM-WBVHZDCISA-N 0 3 410.540 0.535 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)c3cn(CCO)c(=O)[nH]c3=O)cc2)CC1 ZINC000497637561 1078299045 /nfs/dbraw/zinc/29/90/45/1078299045.db2.gz KFZCWAWEIFYSAT-UHFFFAOYSA-N 0 3 415.494 0.009 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)c3cn(CCO)c(=O)[nH]c3=O)cc2)CC1 ZINC000497637637 1078298955 /nfs/dbraw/zinc/29/89/55/1078298955.db2.gz UYRJIIWLGQGURZ-UHFFFAOYSA-N 0 3 401.467 0.331 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)[C@@H]2C1 ZINC000497651484 1078298380 /nfs/dbraw/zinc/29/83/80/1078298380.db2.gz KJGOBBLRFHWYEA-CRAIPNDOSA-N 0 3 414.572 0.695 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)[C@@H]2C1 ZINC000497651485 1078298267 /nfs/dbraw/zinc/29/82/67/1078298267.db2.gz KJGOBBLRFHWYEA-MAUKXSAKSA-N 0 3 414.572 0.695 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)[C@H]2C1 ZINC000497651486 1078298801 /nfs/dbraw/zinc/29/88/01/1078298801.db2.gz KJGOBBLRFHWYEA-QAPCUYQASA-N 0 3 414.572 0.695 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)[C@H]2C1 ZINC000497651487 1078298654 /nfs/dbraw/zinc/29/86/54/1078298654.db2.gz KJGOBBLRFHWYEA-YJBOKZPZSA-N 0 3 414.572 0.695 20 0 HCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000497651613 1078298392 /nfs/dbraw/zinc/29/83/92/1078298392.db2.gz MIDRZGIANGASKK-AEFFLSMTSA-N 0 3 410.540 0.847 20 0 HCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000497651614 1078298342 /nfs/dbraw/zinc/29/83/42/1078298342.db2.gz MIDRZGIANGASKK-FUHWJXTLSA-N 0 3 410.540 0.847 20 0 HCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000497651615 1078298295 /nfs/dbraw/zinc/29/82/95/1078298295.db2.gz MIDRZGIANGASKK-SJLPKXTDSA-N 0 3 410.540 0.847 20 0 HCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000497651690 1078298408 /nfs/dbraw/zinc/29/84/08/1078298408.db2.gz MIDRZGIANGASKK-WMZOPIPTSA-N 0 3 410.540 0.847 20 0 HCADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000497661907 1078302808 /nfs/dbraw/zinc/30/28/08/1078302808.db2.gz WQGOEPPMLXTLGY-FQEVSTJZSA-N 0 3 417.602 0.871 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000497661908 1078302902 /nfs/dbraw/zinc/30/29/02/1078302902.db2.gz WQGOEPPMLXTLGY-HXUWFJFHSA-N 0 3 417.602 0.871 20 0 HCADHN CN(C)Cc1cccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 ZINC000497679740 1078303592 /nfs/dbraw/zinc/30/35/92/1078303592.db2.gz QJAVXQHIWMELAK-UHFFFAOYSA-N 0 3 415.538 0.747 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000497682307 1078303860 /nfs/dbraw/zinc/30/38/60/1078303860.db2.gz UZKSGCHSQGTJEK-UHFFFAOYSA-N 0 3 408.591 0.210 20 0 HCADHN COCCC(=O)N1CCC(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000497686487 1078306570 /nfs/dbraw/zinc/30/65/70/1078306570.db2.gz GHLCZXGKHBWAIK-KRWDZBQOSA-N 0 3 411.547 0.256 20 0 HCADHN COCCC(=O)N1CCC(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000497686492 1078306705 /nfs/dbraw/zinc/30/67/05/1078306705.db2.gz GHLCZXGKHBWAIK-QGZVFWFLSA-N 0 3 411.547 0.256 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000497687170 1078306900 /nfs/dbraw/zinc/30/69/00/1078306900.db2.gz JCSUZDDAPCWSIK-NRFANRHFSA-N 0 3 416.526 0.520 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000497687174 1078307232 /nfs/dbraw/zinc/30/72/32/1078307232.db2.gz JCSUZDDAPCWSIK-OAQYLSRUSA-N 0 3 416.526 0.520 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000497694689 1078305559 /nfs/dbraw/zinc/30/55/59/1078305559.db2.gz CBJKXVQDAHARBJ-DLBZAZTESA-N 0 3 401.515 0.251 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000497694690 1078305541 /nfs/dbraw/zinc/30/55/41/1078305541.db2.gz CBJKXVQDAHARBJ-IAGOWNOFSA-N 0 3 401.515 0.251 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000497694692 1078305675 /nfs/dbraw/zinc/30/56/75/1078305675.db2.gz CBJKXVQDAHARBJ-IRXDYDNUSA-N 0 3 401.515 0.251 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000497694694 1078305634 /nfs/dbraw/zinc/30/56/34/1078305634.db2.gz CBJKXVQDAHARBJ-SJORKVTESA-N 0 3 401.515 0.251 20 0 HCADHN Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCCN(C4CCCC4)CC3)C2)cn1 ZINC000497696344 1078306156 /nfs/dbraw/zinc/30/61/56/1078306156.db2.gz KMVKRLIGORCBOD-KRWDZBQOSA-N 0 3 402.543 0.982 20 0 HCADHN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCCN(C4CCCC4)CC3)C2)cn1 ZINC000497696346 1078306094 /nfs/dbraw/zinc/30/60/94/1078306094.db2.gz KMVKRLIGORCBOD-QGZVFWFLSA-N 0 3 402.543 0.982 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC000497696697 1078306139 /nfs/dbraw/zinc/30/61/39/1078306139.db2.gz MNIVELFXPBLOIT-MSOLQXFVSA-N 0 3 400.527 0.856 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC000497696699 1078306245 /nfs/dbraw/zinc/30/62/45/1078306245.db2.gz MNIVELFXPBLOIT-QZTJIDSGSA-N 0 3 400.527 0.856 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC000497696700 1078306207 /nfs/dbraw/zinc/30/62/07/1078306207.db2.gz MNIVELFXPBLOIT-ROUUACIJSA-N 0 3 400.527 0.856 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC000497696702 1078306016 /nfs/dbraw/zinc/30/60/16/1078306016.db2.gz MNIVELFXPBLOIT-ZWKOTPCHSA-N 0 3 400.527 0.856 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)Cc2ccccc2C1 ZINC000497696847 1078305901 /nfs/dbraw/zinc/30/59/01/1078305901.db2.gz NDYUGZYLWJFERE-IBGZPJMESA-N 0 3 424.549 0.721 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)Cc2ccccc2C1 ZINC000497696848 1078306029 /nfs/dbraw/zinc/30/60/29/1078306029.db2.gz NDYUGZYLWJFERE-LJQANCHMSA-N 0 3 424.549 0.721 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)o1 ZINC000497700369 1078308989 /nfs/dbraw/zinc/30/89/89/1078308989.db2.gz PHKLPMXBQUAWMI-KRWDZBQOSA-N 0 3 416.526 0.997 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)o1 ZINC000497700370 1078308980 /nfs/dbraw/zinc/30/89/80/1078308980.db2.gz PHKLPMXBQUAWMI-QGZVFWFLSA-N 0 3 416.526 0.997 20 0 HCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497702279 1078309428 /nfs/dbraw/zinc/30/94/28/1078309428.db2.gz VKALYBDLWSWKNU-INIZCTEOSA-N 0 3 402.499 0.689 20 0 HCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497702285 1078309620 /nfs/dbraw/zinc/30/96/20/1078309620.db2.gz VKALYBDLWSWKNU-MRXNPFEDSA-N 0 3 402.499 0.689 20 0 HCADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000497702298 1078309699 /nfs/dbraw/zinc/30/96/99/1078309699.db2.gz QVHDCMXKCOXRFC-CEXWTWQISA-N 0 3 419.547 0.975 20 0 HCADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000497702301 1078309677 /nfs/dbraw/zinc/30/96/77/1078309677.db2.gz QVHDCMXKCOXRFC-GBESFXJTSA-N 0 3 419.547 0.975 20 0 HCADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000497702303 1078309762 /nfs/dbraw/zinc/30/97/62/1078309762.db2.gz QVHDCMXKCOXRFC-GUDVDZBRSA-N 0 3 419.547 0.975 20 0 HCADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000497702306 1078309712 /nfs/dbraw/zinc/30/97/12/1078309712.db2.gz QVHDCMXKCOXRFC-IPMKNSEASA-N 0 3 419.547 0.975 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000497704311 1078310127 /nfs/dbraw/zinc/31/01/27/1078310127.db2.gz OVXZXEBHLIWXBB-UHFFFAOYSA-N 0 3 416.570 0.614 20 0 HCADHN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCCCC3)C2)cn1 ZINC000497708772 1078307507 /nfs/dbraw/zinc/30/75/07/1078307507.db2.gz NJXGKNCEMSSVIQ-MSOLQXFVSA-N 0 3 402.543 0.982 20 0 HCADHN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCCCC3)C2)cn1 ZINC000497708773 1078307445 /nfs/dbraw/zinc/30/74/45/1078307445.db2.gz NJXGKNCEMSSVIQ-QZTJIDSGSA-N 0 3 402.543 0.982 20 0 HCADHN Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCCCC3)C2)cn1 ZINC000497708774 1078307474 /nfs/dbraw/zinc/30/74/74/1078307474.db2.gz NJXGKNCEMSSVIQ-ROUUACIJSA-N 0 3 402.543 0.982 20 0 HCADHN Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCCCC3)C2)cn1 ZINC000497708775 1078307489 /nfs/dbraw/zinc/30/74/89/1078307489.db2.gz NJXGKNCEMSSVIQ-ZWKOTPCHSA-N 0 3 402.543 0.982 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497727206 1078316432 /nfs/dbraw/zinc/31/64/32/1078316432.db2.gz WWHXPUJEZMVBBY-AEFFLSMTSA-N 0 3 406.531 0.074 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497727208 1078316463 /nfs/dbraw/zinc/31/64/63/1078316463.db2.gz WWHXPUJEZMVBBY-FUHWJXTLSA-N 0 3 406.531 0.074 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497727210 1078316575 /nfs/dbraw/zinc/31/65/75/1078316575.db2.gz WWHXPUJEZMVBBY-SJLPKXTDSA-N 0 3 406.531 0.074 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497727212 1078316422 /nfs/dbraw/zinc/31/64/22/1078316422.db2.gz WWHXPUJEZMVBBY-WMZOPIPTSA-N 0 3 406.531 0.074 20 0 HCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000497728721 1078316562 /nfs/dbraw/zinc/31/65/62/1078316562.db2.gz KZWNRGBQJBBOHR-KRWDZBQOSA-N 0 3 410.540 0.678 20 0 HCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000497728723 1078316443 /nfs/dbraw/zinc/31/64/43/1078316443.db2.gz KZWNRGBQJBBOHR-QGZVFWFLSA-N 0 3 410.540 0.678 20 0 HCADHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000497731060 1078316748 /nfs/dbraw/zinc/31/67/48/1078316748.db2.gz ZXXIKQKTVCCORL-CEXWTWQISA-N 0 3 419.547 0.975 20 0 HCADHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000497731061 1078316818 /nfs/dbraw/zinc/31/68/18/1078316818.db2.gz ZXXIKQKTVCCORL-GBESFXJTSA-N 0 3 419.547 0.975 20 0 HCADHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000497731062 1078316795 /nfs/dbraw/zinc/31/67/95/1078316795.db2.gz ZXXIKQKTVCCORL-GUDVDZBRSA-N 0 3 419.547 0.975 20 0 HCADHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000497731063 1078316701 /nfs/dbraw/zinc/31/67/01/1078316701.db2.gz ZXXIKQKTVCCORL-IPMKNSEASA-N 0 3 419.547 0.975 20 0 HCADHN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000497749229 1078318352 /nfs/dbraw/zinc/31/83/52/1078318352.db2.gz BMEVWSHGWIXNIX-GFCCVEGCSA-N 0 3 401.485 0.120 20 0 HCADHN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000497749230 1078318331 /nfs/dbraw/zinc/31/83/31/1078318331.db2.gz BMEVWSHGWIXNIX-LBPRGKRZSA-N 0 3 401.485 0.120 20 0 HCADHN CN1C(=O)C(=O)N(CC(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1=O ZINC000497801212 1078327643 /nfs/dbraw/zinc/32/76/43/1078327643.db2.gz OCVGWDLAXMONBD-INIZCTEOSA-N 0 3 400.479 0.996 20 0 HCADHN CN1C(=O)C(=O)N(CC(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1=O ZINC000497801213 1078327571 /nfs/dbraw/zinc/32/75/71/1078327571.db2.gz OCVGWDLAXMONBD-MRXNPFEDSA-N 0 3 400.479 0.996 20 0 HCADHN COc1ccc([C@H](CN(C)C)NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000497842681 1078332268 /nfs/dbraw/zinc/33/22/68/1078332268.db2.gz XBCKHDASNLPHOA-IBGZPJMESA-N 0 3 419.526 0.678 20 0 HCADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000497842682 1078332196 /nfs/dbraw/zinc/33/21/96/1078332196.db2.gz XBCKHDASNLPHOA-LJQANCHMSA-N 0 3 419.526 0.678 20 0 HCADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000497843906 1078332127 /nfs/dbraw/zinc/33/21/27/1078332127.db2.gz WHNAHNPAJNSSBC-GOSISDBHSA-N 0 3 407.490 0.808 20 0 HCADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000497843907 1078332218 /nfs/dbraw/zinc/33/22/18/1078332218.db2.gz WHNAHNPAJNSSBC-SFHVURJKSA-N 0 3 407.490 0.808 20 0 HCADHN C[C@](NCC1(CN[C@@](C)(C(N)=O)c2ccccc2)COC1)(C(N)=O)c1ccccc1 ZINC000497847970 1078329918 /nfs/dbraw/zinc/32/99/18/1078329918.db2.gz STNPQMVXWAIFGM-FGZHOGPDSA-N 0 3 410.518 0.984 20 0 HCADHN C[C@](NCC1(CN[C@](C)(C(N)=O)c2ccccc2)COC1)(C(N)=O)c1ccccc1 ZINC000497847974 1078330106 /nfs/dbraw/zinc/33/01/06/1078330106.db2.gz STNPQMVXWAIFGM-SZPZYZBQSA-N 0 3 410.518 0.984 20 0 HCADHN C[C@@](NCC1(CN[C@](C)(C(N)=O)c2ccccc2)COC1)(C(N)=O)c1ccccc1 ZINC000497847975 1078330150 /nfs/dbraw/zinc/33/01/50/1078330150.db2.gz STNPQMVXWAIFGM-VXKWHMMOSA-N 0 3 410.518 0.984 20 0 HCADHN CN(C(=O)c1ccc(S(N)(=O)=O)nc1)C1CCN(CCc2ccccn2)CC1 ZINC000497858720 1078334037 /nfs/dbraw/zinc/33/40/37/1078334037.db2.gz AYCQNBUMRNXAHV-UHFFFAOYSA-N 0 3 403.508 0.903 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000497860544 1078334256 /nfs/dbraw/zinc/33/42/56/1078334256.db2.gz PURGQULIEJLMFO-AWEZNQCLSA-N 0 3 417.514 0.772 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000497860545 1078334310 /nfs/dbraw/zinc/33/43/10/1078334310.db2.gz PURGQULIEJLMFO-CQSZACIVSA-N 0 3 417.514 0.772 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)ccc1F ZINC000497866750 1078337133 /nfs/dbraw/zinc/33/71/33/1078337133.db2.gz FKELAMUDMVWNHM-GFCCVEGCSA-N 0 3 400.476 0.663 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)ccc1F ZINC000497866751 1078337203 /nfs/dbraw/zinc/33/72/03/1078337203.db2.gz FKELAMUDMVWNHM-LBPRGKRZSA-N 0 3 400.476 0.663 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497866824 1078337186 /nfs/dbraw/zinc/33/71/86/1078337186.db2.gz GKOPFSVRYDTKFV-UHFFFAOYSA-N 0 3 409.874 0.363 20 0 HCADHN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NCCCN2CCN(CC)CC2)c1 ZINC000497866895 1078337251 /nfs/dbraw/zinc/33/72/51/1078337251.db2.gz FVKWLOSWQWAOGW-UHFFFAOYSA-N 0 3 403.527 0.861 20 0 HCADHN CN(C)S(=O)(=O)CCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000497867820 1078334964 /nfs/dbraw/zinc/33/49/64/1078334964.db2.gz GPNSEWRWKXYMQJ-GOSISDBHSA-N 0 3 423.583 0.724 20 0 HCADHN CN(C)S(=O)(=O)CCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000497867822 1078334973 /nfs/dbraw/zinc/33/49/73/1078334973.db2.gz GPNSEWRWKXYMQJ-SFHVURJKSA-N 0 3 423.583 0.724 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000497871205 1078335382 /nfs/dbraw/zinc/33/53/82/1078335382.db2.gz WSAZEAAMEINMQS-UHFFFAOYSA-N 0 3 420.489 0.438 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)CC1 ZINC000497873580 1078335863 /nfs/dbraw/zinc/33/58/63/1078335863.db2.gz MELUVGUYZJLFTO-UHFFFAOYSA-N 0 3 404.437 0.830 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497876273 1078336061 /nfs/dbraw/zinc/33/60/61/1078336061.db2.gz WKRUGIHAGBNIMJ-UHFFFAOYSA-N 0 3 423.901 0.753 20 0 HCADHN CN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000497876655 1078336410 /nfs/dbraw/zinc/33/64/10/1078336410.db2.gz XOCUAZXIRXSQTK-CEXWTWQISA-N 0 3 409.552 0.105 20 0 HCADHN CN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000497876656 1078336375 /nfs/dbraw/zinc/33/63/75/1078336375.db2.gz XOCUAZXIRXSQTK-GBESFXJTSA-N 0 3 409.552 0.105 20 0 HCADHN CN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000497876657 1078336322 /nfs/dbraw/zinc/33/63/22/1078336322.db2.gz XOCUAZXIRXSQTK-GUDVDZBRSA-N 0 3 409.552 0.105 20 0 HCADHN CN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000497876658 1078336428 /nfs/dbraw/zinc/33/64/28/1078336428.db2.gz XOCUAZXIRXSQTK-IPMKNSEASA-N 0 3 409.552 0.105 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCC(C)CC2)ccc1F ZINC000497885696 1078338978 /nfs/dbraw/zinc/33/89/78/1078338978.db2.gz VBPQNFADXAUNMN-UHFFFAOYSA-N 0 3 400.476 0.520 20 0 HCADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000497886929 1078339290 /nfs/dbraw/zinc/33/92/90/1078339290.db2.gz YPJQRNIXLCSQMX-HKUYNNGSSA-N 0 3 423.521 0.865 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497891905 1078338129 /nfs/dbraw/zinc/33/81/29/1078338129.db2.gz SALUMFDQRDTCSE-GFCCVEGCSA-N 0 3 423.901 0.752 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000497891906 1078338162 /nfs/dbraw/zinc/33/81/62/1078338162.db2.gz SALUMFDQRDTCSE-LBPRGKRZSA-N 0 3 423.901 0.752 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)ccc1F ZINC000497892283 1078337938 /nfs/dbraw/zinc/33/79/38/1078337938.db2.gz UEWGDHMFPBBRHO-GFCCVEGCSA-N 0 3 400.476 0.663 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)ccc1F ZINC000497892285 1078337854 /nfs/dbraw/zinc/33/78/54/1078337854.db2.gz UEWGDHMFPBBRHO-LBPRGKRZSA-N 0 3 400.476 0.663 20 0 HCADHN 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HCADHN CC1(C)NC(=O)N(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O ZINC000498099966 1078366982 /nfs/dbraw/zinc/36/69/82/1078366982.db2.gz BGCMUGCSEUBLOP-UHFFFAOYSA-N 0 3 401.511 0.641 20 0 HCADHN O=C(CCC(=O)N1CCOCC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000498100558 1078368236 /nfs/dbraw/zinc/36/82/36/1078368236.db2.gz FYOWKWMAZWYFRK-UHFFFAOYSA-N 0 3 402.539 0.950 20 0 HCADHN CN1CC(=O)N(CCCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O ZINC000498100672 1078368123 /nfs/dbraw/zinc/36/81/23/1078368123.db2.gz GUJPAZMQIIJJKK-UHFFFAOYSA-N 0 3 415.538 0.985 20 0 HCADHN Cn1ncc2c1ncn(CC(=O)NCCCN1CCN(Cc3ccccc3)CC1)c2=O ZINC000498102671 1078368367 /nfs/dbraw/zinc/36/83/67/1078368367.db2.gz VYMZSDBNDAKJRE-UHFFFAOYSA-N 0 3 423.521 0.454 20 0 HCADHN CC(C)[C@H](CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1)N1CCN(C)CC1 ZINC000498106928 1078368822 /nfs/dbraw/zinc/36/88/22/1078368822.db2.gz IMVKOUPZZKPUCL-FQEVSTJZSA-N 0 3 422.618 0.502 20 0 HCADHN CC(C)[C@@H](CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1)N1CCN(C)CC1 ZINC000498106929 1078368883 /nfs/dbraw/zinc/36/88/83/1078368883.db2.gz IMVKOUPZZKPUCL-HXUWFJFHSA-N 0 3 422.618 0.502 20 0 HCADHN Cn1ncc2c1ncn(CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)c2=O ZINC000498118032 1078370869 /nfs/dbraw/zinc/37/08/69/1078370869.db2.gz SHWKDAIIKYNNJW-IBGZPJMESA-N 0 3 423.521 0.625 20 0 HCADHN CN(C)C(=O)Cn1cc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)nn1 ZINC000498119156 1078370813 /nfs/dbraw/zinc/37/08/13/1078370813.db2.gz FLSGJVCCTKXRRJ-LJQANCHMSA-N 0 3 413.526 0.475 20 0 HCADHN CC(C)NC(=O)CN(C)CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000498119522 1078370738 /nfs/dbraw/zinc/37/07/38/1078370738.db2.gz NGHCOWDPZRNRQA-FQEVSTJZSA-N 0 3 403.571 0.938 20 0 HCADHN CC(C)NC(=O)CN(C)CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000498119523 1078370837 /nfs/dbraw/zinc/37/08/37/1078370837.db2.gz NGHCOWDPZRNRQA-HXUWFJFHSA-N 0 3 403.571 0.938 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000498125669 1078369544 /nfs/dbraw/zinc/36/95/44/1078369544.db2.gz KXTWILOLMUWETG-UHFFFAOYSA-N 0 3 418.590 0.268 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000498126009 1078369597 /nfs/dbraw/zinc/36/95/97/1078369597.db2.gz LZDUATIHGODAGB-UHFFFAOYSA-N 0 3 408.547 0.520 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000498130502 1078372748 /nfs/dbraw/zinc/37/27/48/1078372748.db2.gz FQYMCSXDCFOVQZ-UHFFFAOYSA-N 0 3 422.574 0.910 20 0 HCADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000498133312 1078372874 /nfs/dbraw/zinc/37/28/74/1078372874.db2.gz YYVVELGGUHFRBI-UHFFFAOYSA-N 0 3 411.572 0.716 20 0 HCADHN CN1CCN(CCCNC(=O)CCCN2C(=O)CNC2=O)[C@@H](c2ccccc2)C1 ZINC000498133679 1078373316 /nfs/dbraw/zinc/37/33/16/1078373316.db2.gz YCHAWDDPENGCOQ-GOSISDBHSA-N 0 3 401.511 0.813 20 0 HCADHN COCCn1nc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)ccc1=O ZINC000498133936 1078371965 /nfs/dbraw/zinc/37/19/65/1078371965.db2.gz ZRDOXHQSHUDQCZ-FQEVSTJZSA-N 0 3 413.522 0.998 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000498135692 1078374938 /nfs/dbraw/zinc/37/49/38/1078374938.db2.gz IIILOVUMCBCQLF-HKUYNNGSSA-N 0 3 422.551 0.943 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000498135694 1078374997 /nfs/dbraw/zinc/37/49/97/1078374997.db2.gz IIILOVUMCBCQLF-IEBWSBKVSA-N 0 3 422.551 0.943 20 0 HCADHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000498135696 1078374972 /nfs/dbraw/zinc/37/49/72/1078374972.db2.gz IIILOVUMCBCQLF-MJGOQNOKSA-N 0 3 422.551 0.943 20 0 HCADHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000498135698 1078374926 /nfs/dbraw/zinc/37/49/26/1078374926.db2.gz IIILOVUMCBCQLF-PKOBYXMFSA-N 0 3 422.551 0.943 20 0 HCADHN CCCS(=O)(=O)N1CCC(NC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000498136814 1078375190 /nfs/dbraw/zinc/37/51/90/1078375190.db2.gz NEPRTBFYGUYOEV-UHFFFAOYSA-N 0 3 403.593 0.470 20 0 HCADHN CN1C(=O)C(=O)N(CC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1=O ZINC000498144836 1078374309 /nfs/dbraw/zinc/37/43/09/1078374309.db2.gz ZMMBKGJKURWJTG-UHFFFAOYSA-N 0 3 401.467 0.126 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)CC1 ZINC000498156752 1078379585 /nfs/dbraw/zinc/37/95/85/1078379585.db2.gz PQGLPEHPHZMEKB-UHFFFAOYSA-N 0 3 424.567 0.702 20 0 HCADHN COc1cccc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)n1 ZINC000498183034 1078387778 /nfs/dbraw/zinc/38/77/78/1078387778.db2.gz KHESILSAVLGIPY-UHFFFAOYSA-N 0 3 413.434 0.815 20 0 HCADHN Cc1cccc(N2CCN(CCCCNC(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)c1 ZINC000498204684 1078397185 /nfs/dbraw/zinc/39/71/85/1078397185.db2.gz QAVTUUXUQSSHJX-UHFFFAOYSA-N 0 3 415.494 0.434 20 0 HCADHN CCN1CCN(CCCNC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498208580 1078398393 /nfs/dbraw/zinc/39/83/93/1078398393.db2.gz SBRUYBQHHMTTDU-FQEVSTJZSA-N 0 3 415.542 0.918 20 0 HCADHN CCN1CCN(CCCNC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498208588 1078398408 /nfs/dbraw/zinc/39/84/08/1078398408.db2.gz SBRUYBQHHMTTDU-HXUWFJFHSA-N 0 3 415.542 0.918 20 0 HCADHN CCN1CCN(CCCNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000498213206 1078404610 /nfs/dbraw/zinc/40/46/10/1078404610.db2.gz WIANZDFLPWIGCY-UHFFFAOYSA-N 0 3 402.586 0.597 20 0 HCADHN CN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cccc4c3CNC4=O)cc2)CC1 ZINC000498213269 1078404680 /nfs/dbraw/zinc/40/46/80/1078404680.db2.gz DJYJMLQUFOQAFH-UHFFFAOYSA-N 0 3 421.501 0.932 20 0 HCADHN CCS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000498225760 1078412921 /nfs/dbraw/zinc/41/29/21/1078412921.db2.gz IUXILLATLYWUGJ-HKUYNNGSSA-N 0 3 408.568 0.733 20 0 HCADHN CCS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000498225761 1078412977 /nfs/dbraw/zinc/41/29/77/1078412977.db2.gz IUXILLATLYWUGJ-IEBWSBKVSA-N 0 3 408.568 0.733 20 0 HCADHN CCS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000498225762 1078412995 /nfs/dbraw/zinc/41/29/95/1078412995.db2.gz IUXILLATLYWUGJ-MJGOQNOKSA-N 0 3 408.568 0.733 20 0 HCADHN CCS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000498225763 1078412947 /nfs/dbraw/zinc/41/29/47/1078412947.db2.gz IUXILLATLYWUGJ-PKOBYXMFSA-N 0 3 408.568 0.733 20 0 HCADHN C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)CN1CCN(C)CC1 ZINC000498233515 1078423469 /nfs/dbraw/zinc/42/34/69/1078423469.db2.gz QETKXADITGJISS-KRWDZBQOSA-N 0 3 417.558 0.474 20 0 HCADHN C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)CN1CCN(C)CC1 ZINC000498233516 1078423488 /nfs/dbraw/zinc/42/34/88/1078423488.db2.gz QETKXADITGJISS-QGZVFWFLSA-N 0 3 417.558 0.474 20 0 HCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000498247407 1078431378 /nfs/dbraw/zinc/43/13/78/1078431378.db2.gz JPTUJIYMJRCAKD-CYBMUJFWSA-N 0 3 424.523 0.841 20 0 HCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000498247408 1078431339 /nfs/dbraw/zinc/43/13/39/1078431339.db2.gz JPTUJIYMJRCAKD-ZDUSSCGKSA-N 0 3 424.523 0.841 20 0 HCADHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000498250449 1078434363 /nfs/dbraw/zinc/43/43/63/1078434363.db2.gz CHSGEZOWERKNBP-UHFFFAOYSA-N 0 3 414.503 0.957 20 0 HCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000498250846 1078436417 /nfs/dbraw/zinc/43/64/17/1078436417.db2.gz ACVUDPJUKAJEKL-UHFFFAOYSA-N 0 3 422.507 0.548 20 0 HCADHN CC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1F ZINC000498251379 1078436088 /nfs/dbraw/zinc/43/60/88/1078436088.db2.gz CHNUYCBIHCVAKE-UHFFFAOYSA-N 0 3 404.442 0.733 20 0 HCADHN Cn1ncc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1-c1ccccc1 ZINC000498252646 1078437318 /nfs/dbraw/zinc/43/73/18/1078437318.db2.gz INIJWEOGODZNGI-UHFFFAOYSA-N 0 3 424.505 0.792 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000498253979 1078438923 /nfs/dbraw/zinc/43/89/23/1078438923.db2.gz OWWROYMHSOFWIX-UHFFFAOYSA-N 0 3 423.564 0.638 20 0 HCADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000498254684 1078439922 /nfs/dbraw/zinc/43/99/22/1078439922.db2.gz RLPYSBRLYQZCIR-KRWDZBQOSA-N 0 3 409.508 0.790 20 0 HCADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000498254689 1078439934 /nfs/dbraw/zinc/43/99/34/1078439934.db2.gz RLPYSBRLYQZCIR-QGZVFWFLSA-N 0 3 409.508 0.790 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000498256061 1078440526 /nfs/dbraw/zinc/44/05/26/1078440526.db2.gz YDAOFNOVPBOMLG-INIZCTEOSA-N 0 3 409.508 0.775 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000498256071 1078440530 /nfs/dbraw/zinc/44/05/30/1078440530.db2.gz YDAOFNOVPBOMLG-MRXNPFEDSA-N 0 3 409.508 0.775 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)ccc1F ZINC000498256470 1078440889 /nfs/dbraw/zinc/44/08/89/1078440889.db2.gz XTOFOYCAVZVYSJ-UHFFFAOYSA-N 0 3 400.476 0.615 20 0 HCADHN CN1C(=O)C(=O)N(CC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1=O ZINC000498262984 1078451295 /nfs/dbraw/zinc/45/12/95/1078451295.db2.gz VGKFXTCZDYQGSB-UHFFFAOYSA-N 0 3 415.494 0.121 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CCCN2CCN(C)CC2)s1 ZINC000498265682 1078453003 /nfs/dbraw/zinc/45/30/03/1078453003.db2.gz VBJANACWOYVTOZ-UHFFFAOYSA-N 0 3 417.601 0.614 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000498268918 1078447973 /nfs/dbraw/zinc/44/79/73/1078447973.db2.gz QKBMMGLTYMLUCE-UHFFFAOYSA-N 0 3 415.469 0.998 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000498269054 1078448004 /nfs/dbraw/zinc/44/80/04/1078448004.db2.gz YIWHXZMKESAIFV-UHFFFAOYSA-N 0 3 403.574 0.305 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498270502 1078448346 /nfs/dbraw/zinc/44/83/46/1078448346.db2.gz NVOZCWZLVMCMAK-IBGZPJMESA-N 0 3 401.515 0.528 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498270504 1078448392 /nfs/dbraw/zinc/44/83/92/1078448392.db2.gz NVOZCWZLVMCMAK-LJQANCHMSA-N 0 3 401.515 0.528 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000498271683 1078448134 /nfs/dbraw/zinc/44/81/34/1078448134.db2.gz XYDIWHKMMXNULG-UHFFFAOYSA-N 0 3 424.567 0.383 20 0 HCADHN CCNS(=O)(=O)c1ccc(CNC(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000498272325 1078449453 /nfs/dbraw/zinc/44/94/53/1078449453.db2.gz OWXPDGGTRIUEMG-UHFFFAOYSA-N 0 3 411.572 0.764 20 0 HCADHN CCN1CCN(CCNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000498275079 1078456515 /nfs/dbraw/zinc/45/65/15/1078456515.db2.gz GKRODOCGOGDPBK-UHFFFAOYSA-N 0 3 414.547 0.980 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000498276104 1078456793 /nfs/dbraw/zinc/45/67/93/1078456793.db2.gz LKKSZHQASZTPDX-INIZCTEOSA-N 0 3 404.511 0.810 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000498276106 1078456876 /nfs/dbraw/zinc/45/68/76/1078456876.db2.gz LKKSZHQASZTPDX-MRXNPFEDSA-N 0 3 404.511 0.810 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000498277823 1078453695 /nfs/dbraw/zinc/45/36/95/1078453695.db2.gz UKGGVQCPVGKSSC-UHFFFAOYSA-N 0 3 417.601 0.648 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000498280222 1078454544 /nfs/dbraw/zinc/45/45/44/1078454544.db2.gz ZRCUPFWCMONVHI-INIZCTEOSA-N 0 3 414.597 0.963 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000498280223 1078454628 /nfs/dbraw/zinc/45/46/28/1078454628.db2.gz ZRCUPFWCMONVHI-MRXNPFEDSA-N 0 3 414.597 0.963 20 0 HCADHN CCN1CCN(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000498281830 1078460971 /nfs/dbraw/zinc/46/09/71/1078460971.db2.gz HOAYMEUITOKRCO-UHFFFAOYSA-N 0 3 416.569 0.136 20 0 HCADHN CCN1CCN(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000498282930 1078457876 /nfs/dbraw/zinc/45/78/76/1078457876.db2.gz NXHUDIGEHAVCEA-UHFFFAOYSA-N 0 3 414.597 0.829 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000498286692 1078459663 /nfs/dbraw/zinc/45/96/63/1078459663.db2.gz IAQZTQOPKXNUIA-UHFFFAOYSA-N 0 3 412.556 0.749 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)CC1 ZINC000498286718 1078459619 /nfs/dbraw/zinc/45/96/19/1078459619.db2.gz IKYYPWLTHRZHDO-SFHVURJKSA-N 0 3 414.547 0.882 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000498287225 1078459632 /nfs/dbraw/zinc/45/96/32/1078459632.db2.gz KAHXEIBHNLOXGG-IBGZPJMESA-N 0 3 408.568 0.902 20 0 HCADHN CCN1CCN(CCNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)CC1 ZINC000498287342 1078459601 /nfs/dbraw/zinc/45/96/01/1078459601.db2.gz LFAPXWYFEKAGGV-UHFFFAOYSA-N 0 3 412.556 0.287 20 0 HCADHN CCN1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000498288465 1078459706 /nfs/dbraw/zinc/45/97/06/1078459706.db2.gz OZNXKPWVZVYVGR-UHFFFAOYSA-N 0 3 415.585 0.120 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000498288485 1078459717 /nfs/dbraw/zinc/45/97/17/1078459717.db2.gz PJJSGRBUKUQNAP-UHFFFAOYSA-N 0 3 410.540 0.503 20 0 HCADHN CCN1CCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000498289217 1078460308 /nfs/dbraw/zinc/46/03/08/1078460308.db2.gz WHOWVJQGJPNCKH-UHFFFAOYSA-N 0 3 410.540 0.075 20 0 HCADHN CCN1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 ZINC000498291642 1078461994 /nfs/dbraw/zinc/46/19/94/1078461994.db2.gz RMTZXZYFIOAHMZ-UHFFFAOYSA-N 0 3 424.567 0.383 20 0 HCADHN CCN1CCN(CCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000498294468 1078463608 /nfs/dbraw/zinc/46/36/08/1078463608.db2.gz NIGAVZPAZCFZQU-UHFFFAOYSA-N 0 3 400.570 0.900 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000498297466 1078461596 /nfs/dbraw/zinc/46/15/96/1078461596.db2.gz HZLHQAQZGUYXST-INIZCTEOSA-N 0 3 402.495 0.564 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000498297472 1078461610 /nfs/dbraw/zinc/46/16/10/1078461610.db2.gz HZLHQAQZGUYXST-MRXNPFEDSA-N 0 3 402.495 0.564 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000498297655 1078461288 /nfs/dbraw/zinc/46/12/88/1078461288.db2.gz JWFUSZDNYGRWOW-IBGZPJMESA-N 0 3 408.568 0.984 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000498297657 1078461277 /nfs/dbraw/zinc/46/12/77/1078461277.db2.gz JWFUSZDNYGRWOW-LJQANCHMSA-N 0 3 408.568 0.984 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000498298734 1078466376 /nfs/dbraw/zinc/46/63/76/1078466376.db2.gz WLFJKNLHFPCFRP-KRWDZBQOSA-N 0 3 402.495 0.774 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000498298741 1078466346 /nfs/dbraw/zinc/46/63/46/1078466346.db2.gz WLFJKNLHFPCFRP-QGZVFWFLSA-N 0 3 402.495 0.774 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000498303571 1078464849 /nfs/dbraw/zinc/46/48/49/1078464849.db2.gz LFRZZMSRALLGOD-UHFFFAOYSA-N 0 3 424.567 0.847 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000498305042 1078475048 /nfs/dbraw/zinc/47/50/48/1078475048.db2.gz TUHBGVGBGJKHGR-UHFFFAOYSA-N 0 3 413.453 0.752 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000498305771 1078469032 /nfs/dbraw/zinc/46/90/32/1078469032.db2.gz XWXGKJYQAPAZGS-HNNXBMFYSA-N 0 3 400.570 0.655 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000498305772 1078468986 /nfs/dbraw/zinc/46/89/86/1078468986.db2.gz XWXGKJYQAPAZGS-OAHLLOKOSA-N 0 3 400.570 0.655 20 0 HCADHN CC(C)CS(=O)(=O)N1CCC(NC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000498319420 1078477269 /nfs/dbraw/zinc/47/72/69/1078477269.db2.gz MFGRTLBMUAEXLY-UHFFFAOYSA-N 0 3 417.620 0.716 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000498355160 1078541504 /nfs/dbraw/zinc/54/15/04/1078541504.db2.gz UFISMHYLXAXBJY-JSGCOSHPSA-N 0 3 401.533 0.100 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000498355164 1078541380 /nfs/dbraw/zinc/54/13/80/1078541380.db2.gz UFISMHYLXAXBJY-OCCSQVGLSA-N 0 3 401.533 0.100 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000498360158 1078538966 /nfs/dbraw/zinc/53/89/66/1078538966.db2.gz XHZTWSILOXIAIW-UHFFFAOYSA-N 0 3 401.511 0.771 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498365279 1078550293 /nfs/dbraw/zinc/55/02/93/1078550293.db2.gz RKDRIVIABKBGHZ-JXFKEZNVSA-N 0 3 415.542 0.916 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498365281 1078550233 /nfs/dbraw/zinc/55/02/33/1078550233.db2.gz RKDRIVIABKBGHZ-OXJNMPFZSA-N 0 3 415.542 0.916 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498365282 1078550198 /nfs/dbraw/zinc/55/01/98/1078550198.db2.gz RKDRIVIABKBGHZ-OXQOHEQNSA-N 0 3 415.542 0.916 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000498365283 1078550264 /nfs/dbraw/zinc/55/02/64/1078550264.db2.gz RKDRIVIABKBGHZ-UZLBHIALSA-N 0 3 415.542 0.916 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000498366716 1078550832 /nfs/dbraw/zinc/55/08/32/1078550832.db2.gz YOWPVTGHUQJEAX-CABCVRRESA-N 0 3 400.520 0.635 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000498366717 1078550720 /nfs/dbraw/zinc/55/07/20/1078550720.db2.gz YOWPVTGHUQJEAX-GJZGRUSLSA-N 0 3 400.520 0.635 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000498372115 1078548802 /nfs/dbraw/zinc/54/88/02/1078548802.db2.gz HYCQERUXEJREGJ-HNNXBMFYSA-N 0 3 424.567 0.892 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000498372116 1078548778 /nfs/dbraw/zinc/54/87/78/1078548778.db2.gz HYCQERUXEJREGJ-OAHLLOKOSA-N 0 3 424.567 0.892 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000498384852 1078559961 /nfs/dbraw/zinc/55/99/61/1078559961.db2.gz FSHIACSJNWAUEO-AWEZNQCLSA-N 0 3 409.512 0.944 20 0 HCADHN Cn1cc(C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(=O)[nH]c1=O ZINC000498412288 1078574441 /nfs/dbraw/zinc/57/44/41/1078574441.db2.gz XLCHDCDRQYDIBV-INIZCTEOSA-N 0 3 412.494 0.555 20 0 HCADHN Cn1cc(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(=O)[nH]c1=O ZINC000498412289 1078574569 /nfs/dbraw/zinc/57/45/69/1078574569.db2.gz XLCHDCDRQYDIBV-MRXNPFEDSA-N 0 3 412.494 0.555 20 0 HCADHN Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000498414780 1078581490 /nfs/dbraw/zinc/58/14/90/1078581490.db2.gz LZYLOTVTNFHCEQ-UHFFFAOYSA-N 0 3 413.526 0.975 20 0 HCADHN Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000498414780 1078581476 /nfs/dbraw/zinc/58/14/76/1078581476.db2.gz LZYLOTVTNFHCEQ-UHFFFAOYSA-N 0 3 413.526 0.975 20 0 HCADHN Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000498414780 1078581458 /nfs/dbraw/zinc/58/14/58/1078581458.db2.gz LZYLOTVTNFHCEQ-UHFFFAOYSA-N 0 3 413.526 0.975 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1 ZINC000498422446 1078580301 /nfs/dbraw/zinc/58/03/01/1078580301.db2.gz JOGJXPDQBPXTHL-HNNXBMFYSA-N 0 3 401.511 0.713 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1 ZINC000498422447 1078580472 /nfs/dbraw/zinc/58/04/72/1078580472.db2.gz JOGJXPDQBPXTHL-OAHLLOKOSA-N 0 3 401.511 0.713 20 0 HCADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000498424202 1078588173 /nfs/dbraw/zinc/58/81/73/1078588173.db2.gz RQDYMYPSCONUQS-HKUYNNGSSA-N 0 3 414.558 0.665 20 0 HCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000498424208 1078588191 /nfs/dbraw/zinc/58/81/91/1078588191.db2.gz RQDYMYPSCONUQS-IEBWSBKVSA-N 0 3 414.558 0.665 20 0 HCADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000498424210 1078588729 /nfs/dbraw/zinc/58/87/29/1078588729.db2.gz RQDYMYPSCONUQS-MJGOQNOKSA-N 0 3 414.558 0.665 20 0 HCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000498424211 1078588953 /nfs/dbraw/zinc/58/89/53/1078588953.db2.gz RQDYMYPSCONUQS-PKOBYXMFSA-N 0 3 414.558 0.665 20 0 HCADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1S(C)(=O)=O ZINC000498428652 1078594129 /nfs/dbraw/zinc/59/41/29/1078594129.db2.gz FXFBHDDMDRAVKW-INIZCTEOSA-N 0 3 411.524 0.906 20 0 HCADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1S(C)(=O)=O ZINC000498428654 1078593923 /nfs/dbraw/zinc/59/39/23/1078593923.db2.gz FXFBHDDMDRAVKW-MRXNPFEDSA-N 0 3 411.524 0.906 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498431626 1078587025 /nfs/dbraw/zinc/58/70/25/1078587025.db2.gz XBTITCINNAFTDB-HNNXBMFYSA-N 0 3 424.567 0.727 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498431631 1078587151 /nfs/dbraw/zinc/58/71/51/1078587151.db2.gz XBTITCINNAFTDB-OAHLLOKOSA-N 0 3 424.567 0.727 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000498433916 1078605229 /nfs/dbraw/zinc/60/52/29/1078605229.db2.gz OQFAKSXLQYAQJF-INIZCTEOSA-N 0 3 401.511 0.742 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000498433918 1078605289 /nfs/dbraw/zinc/60/52/89/1078605289.db2.gz OQFAKSXLQYAQJF-MRXNPFEDSA-N 0 3 401.511 0.742 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000498436305 1078595799 /nfs/dbraw/zinc/59/57/99/1078595799.db2.gz UINXPDKTKOXJAL-INIZCTEOSA-N 0 3 401.511 0.882 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000498436306 1078595919 /nfs/dbraw/zinc/59/59/19/1078595919.db2.gz UINXPDKTKOXJAL-MRXNPFEDSA-N 0 3 401.511 0.882 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(OCC(=O)NC)c(OC)c2)CC1 ZINC000498436336 1078595965 /nfs/dbraw/zinc/59/59/65/1078595965.db2.gz UUMYMLDZYCJNLD-INIZCTEOSA-N 0 3 406.527 0.823 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(OCC(=O)NC)c(OC)c2)CC1 ZINC000498436337 1078595749 /nfs/dbraw/zinc/59/57/49/1078595749.db2.gz UUMYMLDZYCJNLD-MRXNPFEDSA-N 0 3 406.527 0.823 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000498439986 1078599741 /nfs/dbraw/zinc/59/97/41/1078599741.db2.gz MFLSPYKIQPCRSY-INIZCTEOSA-N 0 3 401.511 0.848 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000498439987 1078599542 /nfs/dbraw/zinc/59/95/42/1078599542.db2.gz MFLSPYKIQPCRSY-MRXNPFEDSA-N 0 3 401.511 0.848 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498441252 1078608046 /nfs/dbraw/zinc/60/80/46/1078608046.db2.gz AZMHMRLYAYXFBW-UHFFFAOYSA-N 0 3 410.540 0.481 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498444593 1078611213 /nfs/dbraw/zinc/61/12/13/1078611213.db2.gz SYXGODOBNVVRPB-HNNXBMFYSA-N 0 3 410.540 0.479 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498444594 1078611280 /nfs/dbraw/zinc/61/12/80/1078611280.db2.gz SYXGODOBNVVRPB-OAHLLOKOSA-N 0 3 410.540 0.479 20 0 HCADHN CC(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000498451259 1078607229 /nfs/dbraw/zinc/60/72/29/1078607229.db2.gz IMVULNVDGUQWRE-GOSISDBHSA-N 0 3 414.547 0.882 20 0 HCADHN CC(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000498451261 1078607243 /nfs/dbraw/zinc/60/72/43/1078607243.db2.gz IMVULNVDGUQWRE-SFHVURJKSA-N 0 3 414.547 0.882 20 0 HCADHN CC(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1F)N1CCN(C)CC1 ZINC000498453741 1078608160 /nfs/dbraw/zinc/60/81/60/1078608160.db2.gz OVNZTOJGQWKPAV-KRWDZBQOSA-N 0 3 414.547 0.882 20 0 HCADHN CC(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccccc1F)N1CCN(C)CC1 ZINC000498453742 1078608195 /nfs/dbraw/zinc/60/81/95/1078608195.db2.gz OVNZTOJGQWKPAV-QGZVFWFLSA-N 0 3 414.547 0.882 20 0 HCADHN CN1CCC(N(Cc2ccco2)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000498458664 1078622329 /nfs/dbraw/zinc/62/23/29/1078622329.db2.gz WLBSXMOPMQLUGZ-UHFFFAOYSA-N 0 3 411.462 0.962 20 0 HCADHN COC[C@@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000498459998 1078625552 /nfs/dbraw/zinc/62/55/52/1078625552.db2.gz XGPHHLBQKWHJCH-MSOLQXFVSA-N 0 3 415.494 0.782 20 0 HCADHN COC[C@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000498460005 1078625581 /nfs/dbraw/zinc/62/55/81/1078625581.db2.gz XGPHHLBQKWHJCH-QZTJIDSGSA-N 0 3 415.494 0.782 20 0 HCADHN COC[C@@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000498460007 1078625305 /nfs/dbraw/zinc/62/53/05/1078625305.db2.gz XGPHHLBQKWHJCH-ROUUACIJSA-N 0 3 415.494 0.782 20 0 HCADHN COC[C@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000498460008 1078625569 /nfs/dbraw/zinc/62/55/69/1078625569.db2.gz XGPHHLBQKWHJCH-ZWKOTPCHSA-N 0 3 415.494 0.782 20 0 HCADHN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CCCC1 ZINC000498460194 1078624723 /nfs/dbraw/zinc/62/47/23/1078624723.db2.gz BABNNONHWSZQAI-UHFFFAOYSA-N 0 3 422.551 0.754 20 0 HCADHN COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000498461270 1078625410 /nfs/dbraw/zinc/62/54/10/1078625410.db2.gz CHKABMKFJNGTEJ-MSOLQXFVSA-N 0 3 420.510 0.305 20 0 HCADHN COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000498461273 1078625345 /nfs/dbraw/zinc/62/53/45/1078625345.db2.gz CHKABMKFJNGTEJ-QZTJIDSGSA-N 0 3 420.510 0.305 20 0 HCADHN COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000498461275 1078625429 /nfs/dbraw/zinc/62/54/29/1078625429.db2.gz CHKABMKFJNGTEJ-ROUUACIJSA-N 0 3 420.510 0.305 20 0 HCADHN COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000498461277 1078626158 /nfs/dbraw/zinc/62/61/58/1078626158.db2.gz CHKABMKFJNGTEJ-ZWKOTPCHSA-N 0 3 420.510 0.305 20 0 HCADHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000498461567 1078625475 /nfs/dbraw/zinc/62/54/75/1078625475.db2.gz GDZNHVAKRHHQHZ-UHFFFAOYSA-N 0 3 411.462 0.962 20 0 HCADHN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000498466152 1078629462 /nfs/dbraw/zinc/62/94/62/1078629462.db2.gz NNOQVPUOJZIROD-IBGZPJMESA-N 0 3 410.584 0.916 20 0 HCADHN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000498466155 1078629517 /nfs/dbraw/zinc/62/95/17/1078629517.db2.gz NNOQVPUOJZIROD-LJQANCHMSA-N 0 3 410.584 0.916 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCc2ccn(C)n2)cc1)[C@@H]1CCCN(C)C1 ZINC000498470861 1078633168 /nfs/dbraw/zinc/63/31/68/1078633168.db2.gz LXWVPJVMHGMCFO-GOSISDBHSA-N 0 3 412.494 0.841 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCc2ccn(C)n2)cc1)[C@H]1CCCN(C)C1 ZINC000498470862 1078633091 /nfs/dbraw/zinc/63/30/91/1078633091.db2.gz LXWVPJVMHGMCFO-SFHVURJKSA-N 0 3 412.494 0.841 20 0 HCADHN CN(C)CCN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C1CCCC1 ZINC000498471078 1078633891 /nfs/dbraw/zinc/63/38/91/1078633891.db2.gz PBVYEEOCHOLBIP-UHFFFAOYSA-N 0 3 410.496 0.575 20 0 HCADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCN1CCCCC1 ZINC000498479352 1078637787 /nfs/dbraw/zinc/63/77/87/1078637787.db2.gz JRBCLYUXGAJWPF-UHFFFAOYSA-N 0 3 401.554 0.914 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000498503644 1078677350 /nfs/dbraw/zinc/67/73/50/1078677350.db2.gz NQOGCMHBRCTREC-BBWFWOEESA-N 0 3 410.584 0.647 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000498503645 1078676807 /nfs/dbraw/zinc/67/68/07/1078676807.db2.gz NQOGCMHBRCTREC-IXDOHACOSA-N 0 3 410.584 0.647 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000498503646 1078676780 /nfs/dbraw/zinc/67/67/80/1078676780.db2.gz NQOGCMHBRCTREC-ULQDDVLXSA-N 0 3 410.584 0.647 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000498503647 1078676659 /nfs/dbraw/zinc/67/66/59/1078676659.db2.gz NQOGCMHBRCTREC-ZACQAIPSSA-N 0 3 410.584 0.647 20 0 HCADHN CCN1CCN(CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000498504382 1078668469 /nfs/dbraw/zinc/66/84/69/1078668469.db2.gz PLRRTDVWRCRWLZ-UHFFFAOYSA-N 0 3 422.327 0.913 20 0 HCADHN CCN1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 ZINC000498504818 1078667776 /nfs/dbraw/zinc/66/77/76/1078667776.db2.gz KHKWJCCDVIDGJN-UHFFFAOYSA-N 0 3 411.572 0.567 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498504866 1078667810 /nfs/dbraw/zinc/66/78/10/1078667810.db2.gz KMBBGPJGXPLWPB-AEFFLSMTSA-N 0 3 416.522 0.953 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498504868 1078667755 /nfs/dbraw/zinc/66/77/55/1078667755.db2.gz KMBBGPJGXPLWPB-FUHWJXTLSA-N 0 3 416.522 0.953 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498504869 1078667887 /nfs/dbraw/zinc/66/78/87/1078667887.db2.gz KMBBGPJGXPLWPB-SJLPKXTDSA-N 0 3 416.522 0.953 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498504870 1078667853 /nfs/dbraw/zinc/66/78/53/1078667853.db2.gz KMBBGPJGXPLWPB-WMZOPIPTSA-N 0 3 416.522 0.953 20 0 HCADHN CCN1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000498505411 1078670173 /nfs/dbraw/zinc/67/01/73/1078670173.db2.gz UJKZJHXKCANHGI-UHFFFAOYSA-N 0 3 404.483 0.387 20 0 HCADHN CCN1CCN(CCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000498507092 1078672991 /nfs/dbraw/zinc/67/29/91/1078672991.db2.gz BUKOKLHCNAVOJA-UHFFFAOYSA-N 0 3 423.311 0.799 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000498507325 1078672504 /nfs/dbraw/zinc/67/25/04/1078672504.db2.gz YMFDKBBVPFABBT-AWEZNQCLSA-N 0 3 418.510 0.775 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000498507326 1078672456 /nfs/dbraw/zinc/67/24/56/1078672456.db2.gz YMFDKBBVPFABBT-CQSZACIVSA-N 0 3 418.510 0.775 20 0 HCADHN CCN1CCN(CCNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000498507789 1078671780 /nfs/dbraw/zinc/67/17/80/1078671780.db2.gz SCUJMDJRAJCQTM-UHFFFAOYSA-N 0 3 408.568 0.284 20 0 HCADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000498508110 1078674705 /nfs/dbraw/zinc/67/47/05/1078674705.db2.gz SXRZUWRDOBTHBW-AEFFLSMTSA-N 0 3 400.531 0.417 20 0 HCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000498508111 1078674804 /nfs/dbraw/zinc/67/48/04/1078674804.db2.gz SXRZUWRDOBTHBW-FUHWJXTLSA-N 0 3 400.531 0.417 20 0 HCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000498508112 1078674874 /nfs/dbraw/zinc/67/48/74/1078674874.db2.gz SXRZUWRDOBTHBW-SJLPKXTDSA-N 0 3 400.531 0.417 20 0 HCADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000498508113 1078675389 /nfs/dbraw/zinc/67/53/89/1078675389.db2.gz SXRZUWRDOBTHBW-WMZOPIPTSA-N 0 3 400.531 0.417 20 0 HCADHN CCN1CCN(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000498509119 1073397895 /nfs/dbraw/zinc/39/78/95/1073397895.db2.gz HSAAVKPXDCTQNL-UHFFFAOYSA-N 0 3 411.524 0.375 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000498509754 1078681453 /nfs/dbraw/zinc/68/14/53/1078681453.db2.gz JEDJWWWABGLRPU-KRWDZBQOSA-N 0 3 414.506 0.829 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000498509759 1078681436 /nfs/dbraw/zinc/68/14/36/1078681436.db2.gz JEDJWWWABGLRPU-QGZVFWFLSA-N 0 3 414.506 0.829 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498509959 1078682578 /nfs/dbraw/zinc/68/25/78/1078682578.db2.gz ZFXAMBPIYSNGHQ-KRWDZBQOSA-N 0 3 402.495 0.564 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000498509960 1078682604 /nfs/dbraw/zinc/68/26/04/1078682604.db2.gz ZFXAMBPIYSNGHQ-QGZVFWFLSA-N 0 3 402.495 0.564 20 0 HCADHN CCN1CCN(CCNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000498510645 1078682126 /nfs/dbraw/zinc/68/21/26/1078682126.db2.gz MFZGZZBEOREESQ-UHFFFAOYSA-N 0 3 408.568 0.814 20 0 HCADHN CCN1CCN(CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000498511928 1078686407 /nfs/dbraw/zinc/68/64/07/1078686407.db2.gz REDILHGWNCVGSE-UHFFFAOYSA-N 0 3 402.948 0.714 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000498512367 1073412333 /nfs/dbraw/zinc/41/23/33/1073412333.db2.gz SDIFKMBWQNAMMF-FQEVSTJZSA-N 0 3 422.595 0.982 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000498512368 1078685894 /nfs/dbraw/zinc/68/58/94/1078685894.db2.gz SDIFKMBWQNAMMF-HXUWFJFHSA-N 0 3 422.595 0.982 20 0 HCADHN CCN1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000498512685 1078685306 /nfs/dbraw/zinc/68/53/06/1078685306.db2.gz ULBFTHUBVQJYMO-GOSISDBHSA-N 0 3 408.568 0.841 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000498512686 1078685341 /nfs/dbraw/zinc/68/53/41/1078685341.db2.gz ULBFTHUBVQJYMO-SFHVURJKSA-N 0 3 408.568 0.841 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000498512739 1078684142 /nfs/dbraw/zinc/68/41/42/1078684142.db2.gz VCQQSIQYVRCMET-KRWDZBQOSA-N 0 3 423.583 0.625 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000498512740 1078684804 /nfs/dbraw/zinc/68/48/04/1078684804.db2.gz VCQQSIQYVRCMET-QGZVFWFLSA-N 0 3 423.583 0.625 20 0 HCADHN CCN1CCN(CCNC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000498512826 1078684789 /nfs/dbraw/zinc/68/47/89/1078684789.db2.gz DMVAVHDRCICQDK-UHFFFAOYSA-N 0 3 412.556 0.969 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000498512873 1078686435 /nfs/dbraw/zinc/68/64/35/1078686435.db2.gz FABUEAICDUVFHI-GOSISDBHSA-N 0 3 422.595 0.673 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000498512874 1078686387 /nfs/dbraw/zinc/68/63/87/1078686387.db2.gz FABUEAICDUVFHI-SFHVURJKSA-N 0 3 422.595 0.673 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)CC1 ZINC000498513062 1078688644 /nfs/dbraw/zinc/68/86/44/1078688644.db2.gz GFVOEHDXHRLHEJ-UHFFFAOYSA-N 0 3 406.527 0.966 20 0 HCADHN CCOc1ccc(S(=O)(=O)NCCC(=O)NCCN2CCN(CC)CC2)cc1 ZINC000498513178 1078687436 /nfs/dbraw/zinc/68/74/36/1078687436.db2.gz GMPWSGCPRJRZPN-UHFFFAOYSA-N 0 3 412.556 0.507 20 0 HCADHN CCN1CCN(CCNC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)CC1 ZINC000498514004 1078689037 /nfs/dbraw/zinc/68/90/37/1078689037.db2.gz MHAOHYDJDGLAET-UHFFFAOYSA-N 0 3 400.483 0.714 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000498515867 1078678850 /nfs/dbraw/zinc/67/88/50/1078678850.db2.gz UTYVRNBVDKPYKK-CYBMUJFWSA-N 0 3 416.519 0.166 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000498515868 1078679142 /nfs/dbraw/zinc/67/91/42/1078679142.db2.gz UTYVRNBVDKPYKK-ZDUSSCGKSA-N 0 3 416.519 0.166 20 0 HCADHN CCN1CCN(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CC1 ZINC000498516389 1078678887 /nfs/dbraw/zinc/67/88/87/1078678887.db2.gz LTBHRAVETIQOTF-INIZCTEOSA-N 0 3 423.464 0.924 20 0 HCADHN CCN1CCN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CC1 ZINC000498516393 1078679051 /nfs/dbraw/zinc/67/90/51/1078679051.db2.gz LTBHRAVETIQOTF-MRXNPFEDSA-N 0 3 423.464 0.924 20 0 HCADHN CCN1CCN(CCNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC)CC1 ZINC000498516436 1078679069 /nfs/dbraw/zinc/67/90/69/1078679069.db2.gz MHACFTZRPQKPFX-UHFFFAOYSA-N 0 3 414.510 0.762 20 0 HCADHN CCN1CCN(CCNC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000498517021 1078680144 /nfs/dbraw/zinc/68/01/44/1078680144.db2.gz OUWGBDJCZVBNDK-UHFFFAOYSA-N 0 3 414.485 0.913 20 0 HCADHN CCN1CCN(CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000498517054 1078680085 /nfs/dbraw/zinc/68/00/85/1078680085.db2.gz PAKULRXYJJMRRT-UHFFFAOYSA-N 0 3 402.948 0.762 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000498517062 1078680077 /nfs/dbraw/zinc/68/00/77/1078680077.db2.gz PBUKCZGVMZEKIH-AWEZNQCLSA-N 0 3 402.948 0.761 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000498518556 1078680513 /nfs/dbraw/zinc/68/05/13/1078680513.db2.gz WMDXKBYCUQYSHY-GOSISDBHSA-N 0 3 424.567 0.511 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000498518557 1078680424 /nfs/dbraw/zinc/68/04/24/1078680424.db2.gz WMDXKBYCUQYSHY-SFHVURJKSA-N 0 3 424.567 0.511 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000498520687 1078697603 /nfs/dbraw/zinc/69/76/03/1078697603.db2.gz AJXQJBWBRJLRHJ-UHFFFAOYSA-N 0 3 410.540 0.075 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000498520690 1078697689 /nfs/dbraw/zinc/69/76/89/1078697689.db2.gz AKWMQCMQAJGTOB-BEFAXECRSA-N 0 3 400.527 0.890 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000498520691 1078697507 /nfs/dbraw/zinc/69/75/07/1078697507.db2.gz AKWMQCMQAJGTOB-DNVCBOLYSA-N 0 3 400.527 0.890 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000498520692 1078697436 /nfs/dbraw/zinc/69/74/36/1078697436.db2.gz AKWMQCMQAJGTOB-HNAYVOBHSA-N 0 3 400.527 0.890 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000498520693 1078697664 /nfs/dbraw/zinc/69/76/64/1078697664.db2.gz AKWMQCMQAJGTOB-KXBFYZLASA-N 0 3 400.527 0.890 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000498520890 1078697376 /nfs/dbraw/zinc/69/73/76/1078697376.db2.gz BUURXZUNYBZEPN-UHFFFAOYSA-N 0 3 410.540 0.075 20 0 HCADHN CCN1CCN(CCNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CC1 ZINC000498521811 1078699495 /nfs/dbraw/zinc/69/94/95/1078699495.db2.gz AZQZYIXHCYCKKE-UHFFFAOYSA-N 0 3 417.535 0.672 20 0 HCADHN CCN1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000498522591 1073440041 /nfs/dbraw/zinc/44/00/41/1073440041.db2.gz LCWJFKWREAIKHF-UHFFFAOYSA-N 0 3 422.473 0.737 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 ZINC000498522639 1078689762 /nfs/dbraw/zinc/68/97/62/1078689762.db2.gz LPGNQFYCLIHRQA-CYBMUJFWSA-N 0 3 412.918 0.969 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 ZINC000498522641 1078689746 /nfs/dbraw/zinc/68/97/46/1078689746.db2.gz LPGNQFYCLIHRQA-ZDUSSCGKSA-N 0 3 412.918 0.969 20 0 HCADHN CCN1CCN(CCNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)CC1 ZINC000498522934 1078690314 /nfs/dbraw/zinc/69/03/14/1078690314.db2.gz OATPXFDIRZKPAE-UHFFFAOYSA-N 0 3 401.515 0.131 20 0 HCADHN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](C)N3CCN(CC)CC3)cnc21 ZINC000498523501 1078690462 /nfs/dbraw/zinc/69/04/62/1078690462.db2.gz RVCPCGNVBFPCSP-AWEZNQCLSA-N 0 3 402.499 0.663 20 0 HCADHN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](C)N3CCN(CC)CC3)cnc21 ZINC000498523503 1078690359 /nfs/dbraw/zinc/69/03/59/1078690359.db2.gz RVCPCGNVBFPCSP-CQSZACIVSA-N 0 3 402.499 0.663 20 0 HCADHN CCN1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000498523906 1078690269 /nfs/dbraw/zinc/69/02/69/1078690269.db2.gz DACVPHCIKDZMDV-UHFFFAOYSA-N 0 3 409.556 0.236 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000498524397 1078690993 /nfs/dbraw/zinc/69/09/93/1078690993.db2.gz FLBLSXGXGHUULB-INIZCTEOSA-N 0 3 412.556 0.367 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000498524398 1078691130 /nfs/dbraw/zinc/69/11/30/1078691130.db2.gz FLBLSXGXGHUULB-MRXNPFEDSA-N 0 3 412.556 0.367 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000498524744 1078691029 /nfs/dbraw/zinc/69/10/29/1078691029.db2.gz GWBJJFPTNPPGIZ-HNNXBMFYSA-N 0 3 400.520 0.636 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000498524755 1078691082 /nfs/dbraw/zinc/69/10/82/1078691082.db2.gz GWBJJFPTNPPGIZ-OAHLLOKOSA-N 0 3 400.520 0.636 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000498525286 1078692970 /nfs/dbraw/zinc/69/29/70/1078692970.db2.gz QAZQPJOLTCUNEU-KRWDZBQOSA-N 0 3 424.567 0.463 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000498525288 1078692933 /nfs/dbraw/zinc/69/29/33/1078692933.db2.gz QAZQPJOLTCUNEU-QGZVFWFLSA-N 0 3 424.567 0.463 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000498527535 1078695204 /nfs/dbraw/zinc/69/52/04/1078695204.db2.gz FCHVCDKHAOJJLR-CVEARBPZSA-N 0 3 412.556 0.504 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000498527541 1078695261 /nfs/dbraw/zinc/69/52/61/1078695261.db2.gz FCHVCDKHAOJJLR-HOTGVXAUSA-N 0 3 412.556 0.504 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000498528104 1078695896 /nfs/dbraw/zinc/69/58/96/1078695896.db2.gz SSVFAMVRFPERQJ-INIZCTEOSA-N 0 3 401.511 0.894 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000498528105 1078695814 /nfs/dbraw/zinc/69/58/14/1078695814.db2.gz SSVFAMVRFPERQJ-MRXNPFEDSA-N 0 3 401.511 0.894 20 0 HCADHN CCN1CCN(CCNC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC000498528294 1078695906 /nfs/dbraw/zinc/69/59/06/1078695906.db2.gz ITRXAHGNUJRYPQ-UHFFFAOYSA-N 0 3 411.466 0.456 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000498528831 1078695228 /nfs/dbraw/zinc/69/52/28/1078695228.db2.gz KLHFHNBUDOQWKQ-HNNXBMFYSA-N 0 3 400.520 0.636 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000498528832 1078695155 /nfs/dbraw/zinc/69/51/55/1078695155.db2.gz KLHFHNBUDOQWKQ-OAHLLOKOSA-N 0 3 400.520 0.636 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000498529546 1078697199 /nfs/dbraw/zinc/69/71/99/1078697199.db2.gz NNIWQBUGKIUYDF-KRWDZBQOSA-N 0 3 424.567 0.463 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000498529547 1078697052 /nfs/dbraw/zinc/69/70/52/1078697052.db2.gz NNIWQBUGKIUYDF-QGZVFWFLSA-N 0 3 424.567 0.463 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000498530771 1078701210 /nfs/dbraw/zinc/70/12/10/1078701210.db2.gz XRJTWXRZYMQHTI-INIZCTEOSA-N 0 3 411.506 0.766 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000498530772 1078701257 /nfs/dbraw/zinc/70/12/57/1078701257.db2.gz XRJTWXRZYMQHTI-MRXNPFEDSA-N 0 3 411.506 0.766 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2)CC1 ZINC000498537047 1078700292 /nfs/dbraw/zinc/70/02/92/1078700292.db2.gz FQYFBAWZNPABRE-UHFFFAOYSA-N 0 3 401.511 0.771 20 0 HCADHN COCCN1C(=O)C[C@H](N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498545846 1078713666 /nfs/dbraw/zinc/71/36/66/1078713666.db2.gz WXEIORAVVUZERP-MOPGFXCFSA-N 0 3 415.538 0.690 20 0 HCADHN COCCN1C(=O)C[C@H](N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498545847 1078713627 /nfs/dbraw/zinc/71/36/27/1078713627.db2.gz WXEIORAVVUZERP-OALUTQOASA-N 0 3 415.538 0.690 20 0 HCADHN COCCN1C(=O)C[C@@H](N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498545848 1078713683 /nfs/dbraw/zinc/71/36/83/1078713683.db2.gz WXEIORAVVUZERP-RBUKOAKNSA-N 0 3 415.538 0.690 20 0 HCADHN COCCN1C(=O)C[C@@H](N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498545849 1078713640 /nfs/dbraw/zinc/71/36/40/1078713640.db2.gz WXEIORAVVUZERP-RTBURBONSA-N 0 3 415.538 0.690 20 0 HCADHN O=C(CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)NC(=O)NC1CC1 ZINC000498557558 1078721065 /nfs/dbraw/zinc/72/10/65/1078721065.db2.gz BIZIDTQODWVFJN-KRWDZBQOSA-N 0 3 400.527 0.904 20 0 HCADHN O=C(CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)NC(=O)NC1CC1 ZINC000498557559 1078721143 /nfs/dbraw/zinc/72/11/43/1078721143.db2.gz BIZIDTQODWVFJN-QGZVFWFLSA-N 0 3 400.527 0.904 20 0 HCADHN C[C@@H](NC(=O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(=O)N(C)C ZINC000498562436 1078724713 /nfs/dbraw/zinc/72/47/13/1078724713.db2.gz DTASQOKUSHDVBK-MOPGFXCFSA-N 0 3 416.570 0.509 20 0 HCADHN C[C@H](NC(=O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(=O)N(C)C ZINC000498562437 1078724569 /nfs/dbraw/zinc/72/45/69/1078724569.db2.gz DTASQOKUSHDVBK-OALUTQOASA-N 0 3 416.570 0.509 20 0 HCADHN C[C@H](NC(=O)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(=O)N(C)C ZINC000498562438 1078725300 /nfs/dbraw/zinc/72/53/00/1078725300.db2.gz DTASQOKUSHDVBK-RBUKOAKNSA-N 0 3 416.570 0.509 20 0 HCADHN C[C@@H](NC(=O)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(=O)N(C)C ZINC000498562439 1078725070 /nfs/dbraw/zinc/72/50/70/1078725070.db2.gz DTASQOKUSHDVBK-RTBURBONSA-N 0 3 416.570 0.509 20 0 HCADHN COC(=O)CCNC(=O)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498575085 1073552294 /nfs/dbraw/zinc/55/22/94/1073552294.db2.gz COCMDAQYMVUWCY-GOSISDBHSA-N 0 3 403.527 0.595 20 0 HCADHN COC(=O)CCNC(=O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498575086 1078735125 /nfs/dbraw/zinc/73/51/25/1078735125.db2.gz COCMDAQYMVUWCY-SFHVURJKSA-N 0 3 403.527 0.595 20 0 HCADHN COC(=O)CNC(=O)[C@@H](C)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498578073 1078741161 /nfs/dbraw/zinc/74/11/61/1078741161.db2.gz RYMVLUYBOUOYKW-MSOLQXFVSA-N 0 3 403.527 0.593 20 0 HCADHN COC(=O)CNC(=O)[C@@H](C)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498578074 1078741141 /nfs/dbraw/zinc/74/11/41/1078741141.db2.gz RYMVLUYBOUOYKW-QZTJIDSGSA-N 0 3 403.527 0.593 20 0 HCADHN COC(=O)CNC(=O)[C@H](C)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498578075 1078741231 /nfs/dbraw/zinc/74/12/31/1078741231.db2.gz RYMVLUYBOUOYKW-ROUUACIJSA-N 0 3 403.527 0.593 20 0 HCADHN COC(=O)CNC(=O)[C@H](C)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498578076 1078741280 /nfs/dbraw/zinc/74/12/80/1078741280.db2.gz RYMVLUYBOUOYKW-ZWKOTPCHSA-N 0 3 403.527 0.593 20 0 HCADHN CN(C)Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000498582121 1073596973 /nfs/dbraw/zinc/59/69/73/1073596973.db2.gz CZEWHZFOGMNASH-UHFFFAOYSA-N 0 3 420.491 0.587 20 0 HCADHN CN(C)Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000498582685 1078743087 /nfs/dbraw/zinc/74/30/87/1078743087.db2.gz GVPBTSBKIGJKOM-UHFFFAOYSA-N 0 3 420.491 0.587 20 0 HCADHN CCS(=O)(=O)N1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)[C@H](C)C1 ZINC000498587435 1073642903 /nfs/dbraw/zinc/64/29/03/1073642903.db2.gz AAVOFQJQPGNNTB-MRXNPFEDSA-N 0 3 404.577 0.941 20 0 HCADHN O=C(CN1CCOCC1)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000498602070 1078763378 /nfs/dbraw/zinc/76/33/78/1078763378.db2.gz ABWQTNGIBRZXDU-FQEVSTJZSA-N 0 3 400.523 0.654 20 0 HCADHN O=C(CN1CCOCC1)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000498602076 1078763537 /nfs/dbraw/zinc/76/35/37/1078763537.db2.gz ABWQTNGIBRZXDU-HXUWFJFHSA-N 0 3 400.523 0.654 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)Nc1cccc(F)c1Cl ZINC000498615125 1078771606 /nfs/dbraw/zinc/77/16/06/1078771606.db2.gz IPZFMZATSGIWID-UHFFFAOYSA-N 0 3 400.882 0.924 20 0 HCADHN CC(C)OCCN1CCC(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000498618948 1078772880 /nfs/dbraw/zinc/77/28/80/1078772880.db2.gz AWGKTZSNPHXWOV-UHFFFAOYSA-N 0 3 404.577 0.847 20 0 HCADHN COc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000498622108 1078770173 /nfs/dbraw/zinc/77/01/73/1078770173.db2.gz RDLBTILRYBCFPP-HNNXBMFYSA-N 0 3 424.567 0.749 20 0 HCADHN COc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000498622109 1078769948 /nfs/dbraw/zinc/76/99/48/1078769948.db2.gz RDLBTILRYBCFPP-OAHLLOKOSA-N 0 3 424.567 0.749 20 0 HCADHN CC(C)OCCN1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000498624877 1078770745 /nfs/dbraw/zinc/77/07/45/1078770745.db2.gz INIMHEKZYWYHNA-KRWDZBQOSA-N 0 3 404.577 0.941 20 0 HCADHN CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000498624880 1078770776 /nfs/dbraw/zinc/77/07/76/1078770776.db2.gz INIMHEKZYWYHNA-QGZVFWFLSA-N 0 3 404.577 0.941 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 ZINC000498628414 1078779715 /nfs/dbraw/zinc/77/97/15/1078779715.db2.gz BQPURMBLHOZFLU-KRWDZBQOSA-N 0 3 407.559 0.973 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 ZINC000498628415 1078779604 /nfs/dbraw/zinc/77/96/04/1078779604.db2.gz BQPURMBLHOZFLU-QGZVFWFLSA-N 0 3 407.559 0.973 20 0 HCADHN C[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)CN1CCN(C)CC1 ZINC000498628823 1078778974 /nfs/dbraw/zinc/77/89/74/1078778974.db2.gz DCDHUWQFCFGWLL-CVEARBPZSA-N 0 3 414.597 0.901 20 0 HCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)CN1CCN(C)CC1 ZINC000498628824 1078779033 /nfs/dbraw/zinc/77/90/33/1078779033.db2.gz DCDHUWQFCFGWLL-HOTGVXAUSA-N 0 3 414.597 0.901 20 0 HCADHN C[C@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)CN1CCN(C)CC1 ZINC000498628825 1078779106 /nfs/dbraw/zinc/77/91/06/1078779106.db2.gz DCDHUWQFCFGWLL-HZPDHXFCSA-N 0 3 414.597 0.901 20 0 HCADHN C[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)CN1CCN(C)CC1 ZINC000498628826 1078779214 /nfs/dbraw/zinc/77/92/14/1078779214.db2.gz DCDHUWQFCFGWLL-JKSUJKDBSA-N 0 3 414.597 0.901 20 0 HCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000498630974 1078774398 /nfs/dbraw/zinc/77/43/98/1078774398.db2.gz IPHRXZNZPNZVIK-ROUUACIJSA-N 0 3 402.605 0.971 20 0 HCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000498630978 1078774559 /nfs/dbraw/zinc/77/45/59/1078774559.db2.gz IPHRXZNZPNZVIK-ZWKOTPCHSA-N 0 3 402.605 0.971 20 0 HCADHN COc1cccc(C[C@@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)n2nnnc2C)c1 ZINC000498632053 1078776779 /nfs/dbraw/zinc/77/67/79/1078776779.db2.gz YCFXVZHUXISUQH-JXFKEZNVSA-N 0 3 415.542 0.774 20 0 HCADHN COc1cccc(C[C@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)n2nnnc2C)c1 ZINC000498632054 1078776811 /nfs/dbraw/zinc/77/68/11/1078776811.db2.gz YCFXVZHUXISUQH-OXJNMPFZSA-N 0 3 415.542 0.774 20 0 HCADHN COc1cccc(C[C@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)n2nnnc2C)c1 ZINC000498632055 1078777012 /nfs/dbraw/zinc/77/70/12/1078777012.db2.gz YCFXVZHUXISUQH-OXQOHEQNSA-N 0 3 415.542 0.774 20 0 HCADHN COc1cccc(C[C@@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)n2nnnc2C)c1 ZINC000498632056 1078777120 /nfs/dbraw/zinc/77/71/20/1078777120.db2.gz YCFXVZHUXISUQH-UZLBHIALSA-N 0 3 415.542 0.774 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000498633288 1078777546 /nfs/dbraw/zinc/77/75/46/1078777546.db2.gz ZSPYAYQZSQOODW-GFCCVEGCSA-N 0 3 410.320 0.890 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000498633299 1078777080 /nfs/dbraw/zinc/77/70/80/1078777080.db2.gz ZSPYAYQZSQOODW-LBPRGKRZSA-N 0 3 410.320 0.890 20 0 HCADHN CCc1ccc(C(=O)NCCCCN2CCN(CCO)CC2)cc1S(C)(=O)=O ZINC000498640654 1078782464 /nfs/dbraw/zinc/78/24/64/1078782464.db2.gz VBBIOLUVGYTZHS-UHFFFAOYSA-N 0 3 411.568 0.772 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000498640941 1078782376 /nfs/dbraw/zinc/78/23/76/1078782376.db2.gz WIJCMIHUUOCUJA-UHFFFAOYSA-N 0 3 417.485 0.492 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC[C@H]1CCCN1C ZINC000498645632 1078780737 /nfs/dbraw/zinc/78/07/37/1078780737.db2.gz KIQDAMRIBJKVRX-KDOFPFPSSA-N 0 3 411.524 0.971 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC[C@@H]1CCCN1C ZINC000498645633 1078780843 /nfs/dbraw/zinc/78/08/43/1078780843.db2.gz KIQDAMRIBJKVRX-KSSFIOAISA-N 0 3 411.524 0.971 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000498649661 1078783383 /nfs/dbraw/zinc/78/33/83/1078783383.db2.gz LZOMHHUPZXALJB-GOSISDBHSA-N 0 3 413.453 0.750 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000498649662 1078783474 /nfs/dbraw/zinc/78/34/74/1078783474.db2.gz LZOMHHUPZXALJB-SFHVURJKSA-N 0 3 413.453 0.750 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)c(C)c2)CC1 ZINC000498655965 1078789348 /nfs/dbraw/zinc/78/93/48/1078789348.db2.gz BXZBLIRNAIAQMV-GOSISDBHSA-N 0 3 413.522 0.909 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)c(C)c2)CC1 ZINC000498655966 1078789456 /nfs/dbraw/zinc/78/94/56/1078789456.db2.gz BXZBLIRNAIAQMV-SFHVURJKSA-N 0 3 413.522 0.909 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)cc2)CC1 ZINC000498657014 1078789854 /nfs/dbraw/zinc/78/98/54/1078789854.db2.gz FOMLLZLLVKVYRX-IBGZPJMESA-N 0 3 413.522 0.596 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)cc2)CC1 ZINC000498657015 1078790072 /nfs/dbraw/zinc/79/00/72/1078790072.db2.gz FOMLLZLLVKVYRX-LJQANCHMSA-N 0 3 413.522 0.596 20 0 HCADHN CCCCCC(=O)NC1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000498657851 1078793749 /nfs/dbraw/zinc/79/37/49/1078793749.db2.gz AHOYHRIHCLCDPS-UHFFFAOYSA-N 0 3 418.542 0.985 20 0 HCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000498660377 1078796951 /nfs/dbraw/zinc/79/69/51/1078796951.db2.gz GSKOJGDUQQLMDN-CYBMUJFWSA-N 0 3 400.476 0.663 20 0 HCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000498660378 1078797171 /nfs/dbraw/zinc/79/71/71/1078797171.db2.gz GSKOJGDUQQLMDN-ZDUSSCGKSA-N 0 3 400.476 0.663 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498661601 1078800166 /nfs/dbraw/zinc/80/01/66/1078800166.db2.gz WPHCSTQJRIKAAO-BRWVUGGUSA-N 0 3 414.506 0.622 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498661602 1078800222 /nfs/dbraw/zinc/80/02/22/1078800222.db2.gz WPHCSTQJRIKAAO-GVDBMIGSSA-N 0 3 414.506 0.622 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498661603 1078800100 /nfs/dbraw/zinc/80/01/00/1078800100.db2.gz WPHCSTQJRIKAAO-IXDOHACOSA-N 0 3 414.506 0.622 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498661604 1078800086 /nfs/dbraw/zinc/80/00/86/1078800086.db2.gz WPHCSTQJRIKAAO-YESZJQIVSA-N 0 3 414.506 0.622 20 0 HCADHN CN(CCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21)C1CC1 ZINC000498662371 1078800836 /nfs/dbraw/zinc/80/08/36/1078800836.db2.gz YSCBUOJTIWZKRH-CABCVRRESA-N 0 3 400.479 0.232 20 0 HCADHN CN(CCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21)C1CC1 ZINC000498662372 1078800793 /nfs/dbraw/zinc/80/07/93/1078800793.db2.gz YSCBUOJTIWZKRH-GJZGRUSLSA-N 0 3 400.479 0.232 20 0 HCADHN CN(CCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21)C1CC1 ZINC000498662373 1078800870 /nfs/dbraw/zinc/80/08/70/1078800870.db2.gz YSCBUOJTIWZKRH-HUUCEWRRSA-N 0 3 400.479 0.232 20 0 HCADHN CN(CCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21)C1CC1 ZINC000498662374 1078800882 /nfs/dbraw/zinc/80/08/82/1078800882.db2.gz YSCBUOJTIWZKRH-LSDHHAIUSA-N 0 3 400.479 0.232 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000498664471 1078802104 /nfs/dbraw/zinc/80/21/04/1078802104.db2.gz UHWPHBSSWUIMPU-CYBMUJFWSA-N 0 3 400.476 0.615 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000498664472 1078802153 /nfs/dbraw/zinc/80/21/53/1078802153.db2.gz UHWPHBSSWUIMPU-ZDUSSCGKSA-N 0 3 400.476 0.615 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCOC4(CCC4)C3)ccc2oc1=O ZINC000498680250 1078818616 /nfs/dbraw/zinc/81/86/16/1078818616.db2.gz UNUKFLVQRKOEQM-UHFFFAOYSA-N 0 3 402.451 0.876 20 0 HCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000498684280 1078814276 /nfs/dbraw/zinc/81/42/76/1078814276.db2.gz ZJMWKWWRUAPVHT-CVEARBPZSA-N 0 3 403.483 0.524 20 0 HCADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000498684281 1078814338 /nfs/dbraw/zinc/81/43/38/1078814338.db2.gz ZJMWKWWRUAPVHT-HOTGVXAUSA-N 0 3 403.483 0.524 20 0 HCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000498684282 1078814312 /nfs/dbraw/zinc/81/43/12/1078814312.db2.gz ZJMWKWWRUAPVHT-HZPDHXFCSA-N 0 3 403.483 0.524 20 0 HCADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000498684283 1078814204 /nfs/dbraw/zinc/81/42/04/1078814204.db2.gz ZJMWKWWRUAPVHT-JKSUJKDBSA-N 0 3 403.483 0.524 20 0 HCADHN Cc1c(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)n(C)nc1C(F)(F)F ZINC000498684597 1078813711 /nfs/dbraw/zinc/81/37/11/1078813711.db2.gz PVGUYJGRMVGIRV-LLVKDONJSA-N 0 3 404.437 0.686 20 0 HCADHN Cc1c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)n(C)nc1C(F)(F)F ZINC000498684598 1078813569 /nfs/dbraw/zinc/81/35/69/1078813569.db2.gz PVGUYJGRMVGIRV-NSHDSACASA-N 0 3 404.437 0.686 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)CN1CCN(C)CC1 ZINC000498686777 1078815551 /nfs/dbraw/zinc/81/55/51/1078815551.db2.gz YCDADQHLPRBXPI-GFCCVEGCSA-N 0 3 423.901 0.609 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)CN1CCN(C)CC1 ZINC000498686784 1078815608 /nfs/dbraw/zinc/81/56/08/1078815608.db2.gz YCDADQHLPRBXPI-LBPRGKRZSA-N 0 3 423.901 0.609 20 0 HCADHN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000498687097 1078822550 /nfs/dbraw/zinc/82/25/50/1078822550.db2.gz ZJPDFPDYSNRDQA-INIZCTEOSA-N 0 3 403.527 0.717 20 0 HCADHN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000498687104 1078822505 /nfs/dbraw/zinc/82/25/05/1078822505.db2.gz ZJPDFPDYSNRDQA-MRXNPFEDSA-N 0 3 403.527 0.717 20 0 HCADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000498695017 1078820161 /nfs/dbraw/zinc/82/01/61/1078820161.db2.gz MCDCNSTZGIPRAV-KBPBESRZSA-N 0 3 417.466 0.126 20 0 HCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000498695019 1078820141 /nfs/dbraw/zinc/82/01/41/1078820141.db2.gz MCDCNSTZGIPRAV-KGLIPLIRSA-N 0 3 417.466 0.126 20 0 HCADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000498695020 1078820099 /nfs/dbraw/zinc/82/00/99/1078820099.db2.gz MCDCNSTZGIPRAV-UONOGXRCSA-N 0 3 417.466 0.126 20 0 HCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000498695021 1078820154 /nfs/dbraw/zinc/82/01/54/1078820154.db2.gz MCDCNSTZGIPRAV-ZIAGYGMSSA-N 0 3 417.466 0.126 20 0 HCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)cn2)CC1 ZINC000498695589 1078822079 /nfs/dbraw/zinc/82/20/79/1078822079.db2.gz QRVGVVWKQPJXCN-HNNXBMFYSA-N 0 3 401.467 0.326 20 0 HCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)cn2)CC1 ZINC000498695590 1078822096 /nfs/dbraw/zinc/82/20/96/1078822096.db2.gz QRVGVVWKQPJXCN-OAHLLOKOSA-N 0 3 401.467 0.326 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000498700526 1078826863 /nfs/dbraw/zinc/82/68/63/1078826863.db2.gz GHGAGVYOSAVQOY-MOPGFXCFSA-N 0 3 415.538 0.794 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000498700527 1078826807 /nfs/dbraw/zinc/82/68/07/1078826807.db2.gz GHGAGVYOSAVQOY-OALUTQOASA-N 0 3 415.538 0.794 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000498700528 1078826828 /nfs/dbraw/zinc/82/68/28/1078826828.db2.gz GHGAGVYOSAVQOY-RBUKOAKNSA-N 0 3 415.538 0.794 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000498700529 1078826774 /nfs/dbraw/zinc/82/67/74/1078826774.db2.gz GHGAGVYOSAVQOY-RTBURBONSA-N 0 3 415.538 0.794 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C)CC[C@H]3C)CC2)cc1 ZINC000498708655 1078832775 /nfs/dbraw/zinc/83/27/75/1078832775.db2.gz VWVBJMYYRGADFA-GOSISDBHSA-N 0 3 408.568 0.854 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C)CC[C@@H]3C)CC2)cc1 ZINC000498708656 1078832823 /nfs/dbraw/zinc/83/28/23/1078832823.db2.gz VWVBJMYYRGADFA-SFHVURJKSA-N 0 3 408.568 0.854 20 0 HCADHN C[C@H]1CCN(C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000498739296 1078849298 /nfs/dbraw/zinc/84/92/98/1078849298.db2.gz TWJVEGZVKVNRPS-AWEZNQCLSA-N 0 3 401.554 0.864 20 0 HCADHN C[C@@H]1CCN(C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000498739298 1078849254 /nfs/dbraw/zinc/84/92/54/1078849254.db2.gz TWJVEGZVKVNRPS-CQSZACIVSA-N 0 3 401.554 0.864 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(C)=O)c2)CC1 ZINC000498764000 1078865088 /nfs/dbraw/zinc/86/50/88/1078865088.db2.gz NVWZXQAGEXIZQX-UHFFFAOYSA-N 0 3 406.458 0.979 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2scc(C)c2C(=O)OC)CC1 ZINC000498765600 1078866256 /nfs/dbraw/zinc/86/62/56/1078866256.db2.gz RWNLTAFPQDLFAK-UHFFFAOYSA-N 0 3 424.523 0.794 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1F ZINC000498783152 1078876298 /nfs/dbraw/zinc/87/62/98/1078876298.db2.gz HALYGTZEWNXVBZ-AWEZNQCLSA-N 0 3 412.487 0.759 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1F ZINC000498783158 1078876303 /nfs/dbraw/zinc/87/63/03/1078876303.db2.gz HALYGTZEWNXVBZ-CQSZACIVSA-N 0 3 412.487 0.759 20 0 HCADHN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)c1 ZINC000498791146 1078882872 /nfs/dbraw/zinc/88/28/72/1078882872.db2.gz UZZUIJXQXBZRLL-GOSISDBHSA-N 0 3 418.542 0.267 20 0 HCADHN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)c1 ZINC000498791148 1078882799 /nfs/dbraw/zinc/88/27/99/1078882799.db2.gz UZZUIJXQXBZRLL-SFHVURJKSA-N 0 3 418.542 0.267 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000498803672 1078898043 /nfs/dbraw/zinc/89/80/43/1078898043.db2.gz JXHAYQQEOOHBFE-UHFFFAOYSA-N 0 3 408.430 0.454 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000498806615 1078891713 /nfs/dbraw/zinc/89/17/13/1078891713.db2.gz RDHLKAQTUFUJMM-UHFFFAOYSA-N 0 3 414.453 0.777 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(OC)cc(S(C)(=O)=O)c1 ZINC000498809596 1078893275 /nfs/dbraw/zinc/89/32/75/1078893275.db2.gz SMSMRLHGMKKIJK-UHFFFAOYSA-N 0 3 401.485 0.074 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000498814678 1078899813 /nfs/dbraw/zinc/89/98/13/1078899813.db2.gz RNOBBNMZAMJDFY-UHFFFAOYSA-N 0 3 409.462 0.721 20 0 HCADHN COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)NCCN(C)C ZINC000498814686 1078899875 /nfs/dbraw/zinc/89/98/75/1078899875.db2.gz ROSGOORSTWYZSH-UHFFFAOYSA-N 0 3 402.245 0.861 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000498815498 1078899826 /nfs/dbraw/zinc/89/98/26/1078899826.db2.gz XQBHHOGVSIKXQW-UHFFFAOYSA-N 0 3 418.491 0.051 20 0 HCADHN CN1CCC[C@H](NC(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)C1=O ZINC000498834580 1078907700 /nfs/dbraw/zinc/90/77/00/1078907700.db2.gz GHAFKGCNWROSFH-IBGZPJMESA-N 0 3 400.523 0.891 20 0 HCADHN CN1CCC[C@@H](NC(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)C1=O ZINC000498834581 1078907911 /nfs/dbraw/zinc/90/79/11/1078907911.db2.gz GHAFKGCNWROSFH-LJQANCHMSA-N 0 3 400.523 0.891 20 0 HCADHN CN1CCC[C@@H](NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1=O ZINC000498834691 1078907265 /nfs/dbraw/zinc/90/72/65/1078907265.db2.gz CXDAKLJBXLVGHE-JXQTWKCFSA-N 0 3 404.433 0.645 20 0 HCADHN CN1CCC[C@H](NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1=O ZINC000498834692 1078907143 /nfs/dbraw/zinc/90/71/43/1078907143.db2.gz CXDAKLJBXLVGHE-RUXDESIVSA-N 0 3 404.433 0.645 20 0 HCADHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000498843095 1078911864 /nfs/dbraw/zinc/91/18/64/1078911864.db2.gz HPEIDPMFIWBSEJ-CABCVRRESA-N 0 3 407.540 0.469 20 0 HCADHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000498843097 1078911907 /nfs/dbraw/zinc/91/19/07/1078911907.db2.gz HPEIDPMFIWBSEJ-GJZGRUSLSA-N 0 3 407.540 0.469 20 0 HCADHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000498843098 1078911796 /nfs/dbraw/zinc/91/17/96/1078911796.db2.gz HPEIDPMFIWBSEJ-HUUCEWRRSA-N 0 3 407.540 0.469 20 0 HCADHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000498843100 1078911953 /nfs/dbraw/zinc/91/19/53/1078911953.db2.gz HPEIDPMFIWBSEJ-LSDHHAIUSA-N 0 3 407.540 0.469 20 0 HCADHN CCN1CCC[C@@H](CN(C)C(=O)C(=O)N[C@@H]2CCCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000498845929 1078906060 /nfs/dbraw/zinc/90/60/60/1078906060.db2.gz VTIBGURRNKCNIN-CGTJXYLNSA-N 0 3 418.542 0.389 20 0 HCADHN CCN1CCC[C@@H](CN(C)C(=O)C(=O)N[C@H]2CCCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000498845930 1078906117 /nfs/dbraw/zinc/90/61/17/1078906117.db2.gz VTIBGURRNKCNIN-RYQLBKOJSA-N 0 3 418.542 0.389 20 0 HCADHN CN(C(=O)C(=O)N[C@@H]1CCCN(C)C1=O)C1CCN(CCc2ccccn2)CC1 ZINC000498848662 1078916251 /nfs/dbraw/zinc/91/62/51/1078916251.db2.gz FIKQLTYFFMPZOJ-GOSISDBHSA-N 0 3 401.511 0.284 20 0 HCADHN CN(C(=O)C(=O)N[C@H]1CCCN(C)C1=O)C1CCN(CCc2ccccn2)CC1 ZINC000498848663 1078916320 /nfs/dbraw/zinc/91/63/20/1078916320.db2.gz FIKQLTYFFMPZOJ-SFHVURJKSA-N 0 3 401.511 0.284 20 0 HCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000498849346 1078917193 /nfs/dbraw/zinc/91/71/93/1078917193.db2.gz IWLQMNMEIMXXPW-MSOLQXFVSA-N 0 3 401.511 0.632 20 0 HCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000498849347 1078917340 /nfs/dbraw/zinc/91/73/40/1078917340.db2.gz IWLQMNMEIMXXPW-QZTJIDSGSA-N 0 3 401.511 0.632 20 0 HCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000498849348 1078917174 /nfs/dbraw/zinc/91/71/74/1078917174.db2.gz IWLQMNMEIMXXPW-ROUUACIJSA-N 0 3 401.511 0.632 20 0 HCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000498849349 1078917275 /nfs/dbraw/zinc/91/72/75/1078917275.db2.gz IWLQMNMEIMXXPW-ZWKOTPCHSA-N 0 3 401.511 0.632 20 0 HCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCCN(C)C3=O)CC2)C[C@@H](C)O1 ZINC000498850036 1078916727 /nfs/dbraw/zinc/91/67/27/1078916727.db2.gz NDLFSTGYSSMVDL-JFIYKMOQSA-N 0 3 408.543 0.461 20 0 HCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@H]3CCCN(C)C3=O)CC2)C[C@H](C)O1 ZINC000498850037 1078916788 /nfs/dbraw/zinc/91/67/88/1078916788.db2.gz NDLFSTGYSSMVDL-JZXOWHBKSA-N 0 3 408.543 0.461 20 0 HCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@H]3CCCN(C)C3=O)CC2)C[C@@H](C)O1 ZINC000498850038 1078916668 /nfs/dbraw/zinc/91/66/68/1078916668.db2.gz NDLFSTGYSSMVDL-NUJGCVRESA-N 0 3 408.543 0.461 20 0 HCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCCN(C)C3=O)CC2)C[C@H](C)O1 ZINC000498850039 1078916775 /nfs/dbraw/zinc/91/67/75/1078916775.db2.gz NDLFSTGYSSMVDL-SOLBZPMBSA-N 0 3 408.543 0.461 20 0 HCADHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)CCCN2CCOCC2)CC1 ZINC000498852009 1078918680 /nfs/dbraw/zinc/91/86/80/1078918680.db2.gz SJZAGVFQTGLQEX-UHFFFAOYSA-N 0 3 424.611 0.966 20 0 HCADHN CN1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000498867484 1078927318 /nfs/dbraw/zinc/92/73/18/1078927318.db2.gz OSRYRDRIFWOIIO-MSOLQXFVSA-N 0 3 402.495 0.131 20 0 HCADHN CN1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000498867485 1078927557 /nfs/dbraw/zinc/92/75/57/1078927557.db2.gz OSRYRDRIFWOIIO-QZTJIDSGSA-N 0 3 402.495 0.131 20 0 HCADHN CN1CCC[C@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000498867486 1078927820 /nfs/dbraw/zinc/92/78/20/1078927820.db2.gz OSRYRDRIFWOIIO-ROUUACIJSA-N 0 3 402.495 0.131 20 0 HCADHN CN1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000498867487 1078927930 /nfs/dbraw/zinc/92/79/30/1078927930.db2.gz OSRYRDRIFWOIIO-ZWKOTPCHSA-N 0 3 402.495 0.131 20 0 HCADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cn1 ZINC000498876146 1078931485 /nfs/dbraw/zinc/93/14/85/1078931485.db2.gz XHUCHCMTZBBVBQ-UHFFFAOYSA-N 0 3 418.404 0.933 20 0 HCADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000498878725 1078932042 /nfs/dbraw/zinc/93/20/42/1078932042.db2.gz BZYZMXPZBHRYLD-HNNXBMFYSA-N 0 3 403.570 0.957 20 0 HCADHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000498878728 1078932095 /nfs/dbraw/zinc/93/20/95/1078932095.db2.gz BZYZMXPZBHRYLD-OAHLLOKOSA-N 0 3 403.570 0.957 20 0 HCADHN CN(CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC1)Cc1ccccc1 ZINC000498883481 1078933447 /nfs/dbraw/zinc/93/34/47/1078933447.db2.gz JCYWEEZZRCPHSL-MOPGFXCFSA-N 0 3 416.522 0.506 20 0 HCADHN CN(CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC1)Cc1ccccc1 ZINC000498883482 1078933373 /nfs/dbraw/zinc/93/33/73/1078933373.db2.gz JCYWEEZZRCPHSL-OALUTQOASA-N 0 3 416.522 0.506 20 0 HCADHN CN(CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1)Cc1ccccc1 ZINC000498883483 1078933109 /nfs/dbraw/zinc/93/31/09/1078933109.db2.gz JCYWEEZZRCPHSL-RBUKOAKNSA-N 0 3 416.522 0.506 20 0 HCADHN CN(CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)CC1)Cc1ccccc1 ZINC000498883484 1078933979 /nfs/dbraw/zinc/93/39/79/1078933979.db2.gz JCYWEEZZRCPHSL-RTBURBONSA-N 0 3 416.522 0.506 20 0 HCADHN C[C@@H](O)CN1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000498898470 1078937921 /nfs/dbraw/zinc/93/79/21/1078937921.db2.gz PFWQYINFUVJWBA-DLBZAZTESA-N 0 3 411.591 0.710 20 0 HCADHN C[C@@H](O)CN1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C)C1 ZINC000498898471 1078938061 /nfs/dbraw/zinc/93/80/61/1078938061.db2.gz PFWQYINFUVJWBA-IAGOWNOFSA-N 0 3 411.591 0.710 20 0 HCADHN C[C@H](O)CN1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000498898472 1078938004 /nfs/dbraw/zinc/93/80/04/1078938004.db2.gz PFWQYINFUVJWBA-IRXDYDNUSA-N 0 3 411.591 0.710 20 0 HCADHN C[C@H](O)CN1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C)C1 ZINC000498898473 1078937867 /nfs/dbraw/zinc/93/78/67/1078937867.db2.gz PFWQYINFUVJWBA-SJORKVTESA-N 0 3 411.591 0.710 20 0 HCADHN CCN1C[C@H](C)N(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1C ZINC000498904002 1078941241 /nfs/dbraw/zinc/94/12/41/1078941241.db2.gz FIYAPBUHTRAADB-CVEARBPZSA-N 0 3 400.531 0.426 20 0 HCADHN CCN1C[C@H](C)N(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H]1C ZINC000498904003 1078941517 /nfs/dbraw/zinc/94/15/17/1078941517.db2.gz FIYAPBUHTRAADB-HOTGVXAUSA-N 0 3 400.531 0.426 20 0 HCADHN CCN1C[C@@H](C)N(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1C ZINC000498904004 1078941451 /nfs/dbraw/zinc/94/14/51/1078941451.db2.gz FIYAPBUHTRAADB-HZPDHXFCSA-N 0 3 400.531 0.426 20 0 HCADHN CCN1C[C@@H](C)N(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H]1C ZINC000498904005 1078941313 /nfs/dbraw/zinc/94/13/13/1078941313.db2.gz FIYAPBUHTRAADB-JKSUJKDBSA-N 0 3 400.531 0.426 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC000498919784 1078948200 /nfs/dbraw/zinc/94/82/00/1078948200.db2.gz UYHOWWBGSQVIFD-IBGZPJMESA-N 0 3 402.539 0.554 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCN(C(=O)[C@@H](C)O)CC2)CC1 ZINC000498919786 1078948061 /nfs/dbraw/zinc/94/80/61/1078948061.db2.gz UYHOWWBGSQVIFD-LJQANCHMSA-N 0 3 402.539 0.554 20 0 HCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000498920056 1078947938 /nfs/dbraw/zinc/94/79/38/1078947938.db2.gz VWGMXDDBRXROIR-INIZCTEOSA-N 0 3 403.531 0.094 20 0 HCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000498920056 1078947927 /nfs/dbraw/zinc/94/79/27/1078947927.db2.gz VWGMXDDBRXROIR-INIZCTEOSA-N 0 3 403.531 0.094 20 0 HCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000498920062 1078948274 /nfs/dbraw/zinc/94/82/74/1078948274.db2.gz VWGMXDDBRXROIR-MRXNPFEDSA-N 0 3 403.531 0.094 20 0 HCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000498920062 1078948267 /nfs/dbraw/zinc/94/82/67/1078948267.db2.gz VWGMXDDBRXROIR-MRXNPFEDSA-N 0 3 403.531 0.094 20 0 HCADHN CCN1C[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C ZINC000498924133 1078953208 /nfs/dbraw/zinc/95/32/08/1078953208.db2.gz KXZGDNIOEKNRIQ-MSOLQXFVSA-N 0 3 408.568 0.934 20 0 HCADHN CCN1C[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C ZINC000498924134 1078953194 /nfs/dbraw/zinc/95/31/94/1078953194.db2.gz KXZGDNIOEKNRIQ-QZTJIDSGSA-N 0 3 408.568 0.934 20 0 HCADHN CCN1C[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C ZINC000498924135 1078953022 /nfs/dbraw/zinc/95/30/22/1078953022.db2.gz KXZGDNIOEKNRIQ-ROUUACIJSA-N 0 3 408.568 0.934 20 0 HCADHN CCN1C[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C ZINC000498924136 1078953123 /nfs/dbraw/zinc/95/31/23/1078953123.db2.gz KXZGDNIOEKNRIQ-ZWKOTPCHSA-N 0 3 408.568 0.934 20 0 HCADHN Cn1cnc2c1c(=O)n(CCCN1CCC[C@H](c3nnc(C4CC4)[nH]3)C1)c(=O)n2C ZINC000498930648 1078957244 /nfs/dbraw/zinc/95/72/44/1078957244.db2.gz VUZPDWXFHHDKIZ-AWEZNQCLSA-N 0 3 412.498 0.699 20 0 HCADHN Cn1cnc2c1c(=O)n(CCCN1CCC[C@@H](c3nnc(C4CC4)[nH]3)C1)c(=O)n2C ZINC000498930649 1078957449 /nfs/dbraw/zinc/95/74/49/1078957449.db2.gz VUZPDWXFHHDKIZ-CQSZACIVSA-N 0 3 412.498 0.699 20 0 HCADHN CC1=CCN(CCNC(=O)C(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)CC1 ZINC000498939801 1078961032 /nfs/dbraw/zinc/96/10/32/1078961032.db2.gz PEEPQVVNTQZOSB-FQEVSTJZSA-N 0 3 421.586 0.008 20 0 HCADHN CC1=CCN(CCNC(=O)C(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)CC1 ZINC000498939804 1078960887 /nfs/dbraw/zinc/96/08/87/1078960887.db2.gz PEEPQVVNTQZOSB-HXUWFJFHSA-N 0 3 421.586 0.008 20 0 HCADHN CC1=CCN(CCNC(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000498944536 1078963404 /nfs/dbraw/zinc/96/34/04/1078963404.db2.gz SFBFWYVZKDVFDA-UHFFFAOYSA-N 0 3 421.586 0.498 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000498947128 1078967508 /nfs/dbraw/zinc/96/75/08/1078967508.db2.gz GMVWJGBWRBXFQK-UHFFFAOYSA-N 0 3 407.490 0.355 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1 ZINC000498947492 1078968299 /nfs/dbraw/zinc/96/82/99/1078968299.db2.gz IMUNJJRWHONQEP-UHFFFAOYSA-N 0 3 415.538 0.923 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000498951114 1078969047 /nfs/dbraw/zinc/96/90/47/1078969047.db2.gz VSFTXLVZYVMOJT-UHFFFAOYSA-N 0 3 421.517 0.745 20 0 HCADHN CC1=CCN(CCNC(=O)C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CC1 ZINC000498952270 1078968987 /nfs/dbraw/zinc/96/89/87/1078968987.db2.gz SABXXYYUDWBSNZ-UHFFFAOYSA-N 0 3 414.554 0.560 20 0 HCADHN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000498964629 1078975968 /nfs/dbraw/zinc/97/59/68/1078975968.db2.gz CUYFGIGXUSZRAU-UHFFFAOYSA-N 0 3 415.538 0.923 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000498965895 1078976771 /nfs/dbraw/zinc/97/67/71/1078976771.db2.gz HHUBIMMZZVCFQO-INIZCTEOSA-N 0 3 421.517 0.743 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000498965898 1078976739 /nfs/dbraw/zinc/97/67/39/1078976739.db2.gz HHUBIMMZZVCFQO-MRXNPFEDSA-N 0 3 421.517 0.743 20 0 HCADHN CC(=O)N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC12CCCCC2 ZINC000498967175 1078977992 /nfs/dbraw/zinc/97/79/92/1078977992.db2.gz HBETZGMKMVYAJH-UHFFFAOYSA-N 0 3 423.602 0.953 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000498968743 1078980186 /nfs/dbraw/zinc/98/01/86/1078980186.db2.gz QYYPAZNNHOJFQV-UHFFFAOYSA-N 0 3 407.490 0.355 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](C)[C@@H]2CO)CC1 ZINC000498968921 1078979518 /nfs/dbraw/zinc/97/95/18/1078979518.db2.gz PXRKFNMNUVHKGV-BBRMVZONSA-N 0 3 414.528 0.217 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](C)[C@@H]2CO)CC1 ZINC000498968922 1078979560 /nfs/dbraw/zinc/97/95/60/1078979560.db2.gz PXRKFNMNUVHKGV-CJNGLKHVSA-N 0 3 414.528 0.217 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](C)[C@H]2CO)CC1 ZINC000498968923 1078979410 /nfs/dbraw/zinc/97/94/10/1078979410.db2.gz PXRKFNMNUVHKGV-CZUORRHYSA-N 0 3 414.528 0.217 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](C)[C@H]2CO)CC1 ZINC000498968924 1078979485 /nfs/dbraw/zinc/97/94/85/1078979485.db2.gz PXRKFNMNUVHKGV-XJKSGUPXSA-N 0 3 414.528 0.217 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[C@@H]1CO ZINC000498971038 1078969590 /nfs/dbraw/zinc/96/95/90/1078969590.db2.gz DMSMVVSMNWNFBM-CRAIPNDOSA-N 0 3 413.515 0.751 20 0 HCADHN C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[C@@H]1CO ZINC000498971040 1078970091 /nfs/dbraw/zinc/97/00/91/1078970091.db2.gz DMSMVVSMNWNFBM-MAUKXSAKSA-N 0 3 413.515 0.751 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[C@H]1CO ZINC000498971042 1078970022 /nfs/dbraw/zinc/97/00/22/1078970022.db2.gz DMSMVVSMNWNFBM-QAPCUYQASA-N 0 3 413.515 0.751 20 0 HCADHN C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[C@H]1CO ZINC000498971043 1078970235 /nfs/dbraw/zinc/97/02/35/1078970235.db2.gz DMSMVVSMNWNFBM-YJBOKZPZSA-N 0 3 413.515 0.751 20 0 HCADHN CC[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CCN1CC(F)F ZINC000498972271 1078971505 /nfs/dbraw/zinc/97/15/05/1078971505.db2.gz ZYFYMXVCJWPNQI-KRWDZBQOSA-N 0 3 405.534 0.747 20 0 HCADHN CC[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CCN1CC(F)F ZINC000498972272 1078971397 /nfs/dbraw/zinc/97/13/97/1078971397.db2.gz ZYFYMXVCJWPNQI-QGZVFWFLSA-N 0 3 405.534 0.747 20 0 HCADHN O=C(Nc1cccc2c1CNC2=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000498982700 1078985505 /nfs/dbraw/zinc/98/55/05/1078985505.db2.gz CMGLBJXNWWMCTF-APWZRJJASA-N 0 3 422.485 0.868 20 0 HCADHN O=C(Nc1cccc2c1CNC2=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000498982703 1078985605 /nfs/dbraw/zinc/98/56/05/1078985605.db2.gz CMGLBJXNWWMCTF-LPHOPBHVSA-N 0 3 422.485 0.868 20 0 HCADHN O=C(Nc1cccc2c1CNC2=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000498982706 1078985383 /nfs/dbraw/zinc/98/53/83/1078985383.db2.gz CMGLBJXNWWMCTF-QFBILLFUSA-N 0 3 422.485 0.868 20 0 HCADHN O=C(Nc1cccc2c1CNC2=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000498982710 1078985553 /nfs/dbraw/zinc/98/55/53/1078985553.db2.gz CMGLBJXNWWMCTF-VQIMIIECSA-N 0 3 422.485 0.868 20 0 HCADHN O=C(CNC[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000498986545 1078994039 /nfs/dbraw/zinc/99/40/39/1078994039.db2.gz SMDVDEBQCUNMJG-HNNXBMFYSA-N 0 3 401.916 0.942 20 0 HCADHN O=C(CNC[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000498986546 1078993929 /nfs/dbraw/zinc/99/39/29/1078993929.db2.gz SMDVDEBQCUNMJG-OAHLLOKOSA-N 0 3 401.916 0.942 20 0 HCADHN C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)[C@@H]1CO ZINC000498987291 1078993136 /nfs/dbraw/zinc/99/31/36/1078993136.db2.gz WGXPCXJNAFYGAH-DOTOQJQBSA-N 0 3 413.515 0.751 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)[C@@H]1CO ZINC000498987292 1078993220 /nfs/dbraw/zinc/99/32/20/1078993220.db2.gz WGXPCXJNAFYGAH-NVXWUHKLSA-N 0 3 413.515 0.751 20 0 HCADHN C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)[C@H]1CO ZINC000498987294 1078993841 /nfs/dbraw/zinc/99/38/41/1078993841.db2.gz WGXPCXJNAFYGAH-RDJZCZTQSA-N 0 3 413.515 0.751 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)[C@H]1CO ZINC000498987295 1078993965 /nfs/dbraw/zinc/99/39/65/1078993965.db2.gz WGXPCXJNAFYGAH-WBVHZDCISA-N 0 3 413.515 0.751 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)[C@H]1CO ZINC000498988941 1078996488 /nfs/dbraw/zinc/99/64/88/1078996488.db2.gz QOLQPXCOUIWPRI-FUHIMQAGSA-N 0 3 417.506 0.590 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)[C@@H]1CO ZINC000498988945 1078996399 /nfs/dbraw/zinc/99/63/99/1078996399.db2.gz QOLQPXCOUIWPRI-HLIPFELVSA-N 0 3 417.506 0.590 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)[C@@H]1CO ZINC000498988947 1078996293 /nfs/dbraw/zinc/99/62/93/1078996293.db2.gz QOLQPXCOUIWPRI-MBOZVWFJSA-N 0 3 417.506 0.590 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)[C@H]1CO ZINC000498988949 1078995699 /nfs/dbraw/zinc/99/56/99/1078995699.db2.gz QOLQPXCOUIWPRI-UWVAXJGDSA-N 0 3 417.506 0.590 20 0 HCADHN C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[C@H]1CO ZINC000498990653 1078998723 /nfs/dbraw/zinc/99/87/23/1078998723.db2.gz WDOCLYLUERPLPT-HKUYNNGSSA-N 0 3 409.552 0.753 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[C@@H]1CO ZINC000498990657 1078998569 /nfs/dbraw/zinc/99/85/69/1078998569.db2.gz WDOCLYLUERPLPT-IEBWSBKVSA-N 0 3 409.552 0.753 20 0 HCADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[C@H]1CO ZINC000498990659 1078998781 /nfs/dbraw/zinc/99/87/81/1078998781.db2.gz WDOCLYLUERPLPT-MJGOQNOKSA-N 0 3 409.552 0.753 20 0 HCADHN C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[C@@H]1CO ZINC000498990661 1078998682 /nfs/dbraw/zinc/99/86/82/1078998682.db2.gz WDOCLYLUERPLPT-PKOBYXMFSA-N 0 3 409.552 0.753 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000498991288 1078997389 /nfs/dbraw/zinc/99/73/89/1078997389.db2.gz UINUOOCTVOFWPL-UHFFFAOYSA-N 0 3 408.474 0.828 20 0 HCADHN NC(=O)C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000499025241 1079012867 /nfs/dbraw/zinc/01/28/67/1079012867.db2.gz YXGWPGKHCIYSQA-GOSISDBHSA-N 0 3 422.551 0.391 20 0 HCADHN NC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000499025242 1079012755 /nfs/dbraw/zinc/01/27/55/1079012755.db2.gz YXGWPGKHCIYSQA-SFHVURJKSA-N 0 3 422.551 0.391 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000499038972 1079019572 /nfs/dbraw/zinc/01/95/72/1079019572.db2.gz SNSHVBXFOWXVNO-UHFFFAOYSA-N 0 3 406.512 0.307 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CCSC1 ZINC000499042846 1079021845 /nfs/dbraw/zinc/02/18/45/1079021845.db2.gz HMBIBTOIDRUQDG-IBGZPJMESA-N 0 3 422.482 0.971 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CCSC1 ZINC000499042847 1079022200 /nfs/dbraw/zinc/02/22/00/1079022200.db2.gz HMBIBTOIDRUQDG-LJQANCHMSA-N 0 3 422.482 0.971 20 0 HCADHN COc1cc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc(S(C)(=O)=O)c1 ZINC000499045417 1079022725 /nfs/dbraw/zinc/02/27/25/1079022725.db2.gz PMSWNTAGDPYESS-KRWDZBQOSA-N 0 3 415.537 0.591 20 0 HCADHN COc1cc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc(S(C)(=O)=O)c1 ZINC000499045418 1079022584 /nfs/dbraw/zinc/02/25/84/1079022584.db2.gz PMSWNTAGDPYESS-QGZVFWFLSA-N 0 3 415.537 0.591 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)ccc1F ZINC000499046635 1079019687 /nfs/dbraw/zinc/01/96/87/1079019687.db2.gz YBQYCMXLQNWBFP-INIZCTEOSA-N 0 3 418.516 0.226 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)ccc1F ZINC000499046636 1079019704 /nfs/dbraw/zinc/01/97/04/1079019704.db2.gz YBQYCMXLQNWBFP-MRXNPFEDSA-N 0 3 418.516 0.226 20 0 HCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000499048872 1079020491 /nfs/dbraw/zinc/02/04/91/1079020491.db2.gz KFRYSDTXGKHNPN-IBGZPJMESA-N 0 3 408.524 0.555 20 0 HCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000499048878 1079020502 /nfs/dbraw/zinc/02/05/02/1079020502.db2.gz KFRYSDTXGKHNPN-LJQANCHMSA-N 0 3 408.524 0.555 20 0 HCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000499076216 1079032527 /nfs/dbraw/zinc/03/25/27/1079032527.db2.gz PCMOUYLSKNORBH-UHFFFAOYSA-N 0 3 414.453 0.824 20 0 HCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000499077705 1079033481 /nfs/dbraw/zinc/03/34/81/1079033481.db2.gz CYUBKSUDBTUUBF-UHFFFAOYSA-N 0 3 418.491 0.099 20 0 HCADHN COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000499078357 1079033114 /nfs/dbraw/zinc/03/31/14/1079033114.db2.gz FGXIAJPPCNWYLB-CABCVRRESA-N 0 3 409.508 0.873 20 0 HCADHN COC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000499079511 1079035107 /nfs/dbraw/zinc/03/51/07/1079035107.db2.gz JEJJHPSLHOFSBF-INIZCTEOSA-N 0 3 414.528 0.483 20 0 HCADHN COC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000499079514 1079034902 /nfs/dbraw/zinc/03/49/02/1079034902.db2.gz JEJJHPSLHOFSBF-MRXNPFEDSA-N 0 3 414.528 0.483 20 0 HCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000499079608 1079035037 /nfs/dbraw/zinc/03/50/37/1079035037.db2.gz ZLKKHJKHDJYZKW-UHFFFAOYSA-N 0 3 408.430 0.502 20 0 HCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000499079976 1079034601 /nfs/dbraw/zinc/03/46/01/1079034601.db2.gz KEQNAIUVVVKXSB-UHFFFAOYSA-N 0 3 409.462 0.768 20 0 HCADHN CCN(CC)[C@@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)c1cccc(OC)c1 ZINC000499080697 1079035011 /nfs/dbraw/zinc/03/50/11/1079035011.db2.gz OAQSSGVMILXSGI-KRWDZBQOSA-N 0 3 409.512 0.738 20 0 HCADHN CCN(CC)[C@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)c1cccc(OC)c1 ZINC000499080698 1079034956 /nfs/dbraw/zinc/03/49/56/1079034956.db2.gz OAQSSGVMILXSGI-QGZVFWFLSA-N 0 3 409.512 0.738 20 0 HCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000499094582 1079039811 /nfs/dbraw/zinc/03/98/11/1079039811.db2.gz OVRJBUDIGNLHOO-PKOBYXMFSA-N 0 3 407.536 0.972 20 0 HCADHN COC(=O)c1cn(CCNC(=O)NCc2ccccc2CN2CCC(O)CC2)nn1 ZINC000499110774 1079044993 /nfs/dbraw/zinc/04/49/93/1079044993.db2.gz LPCXGIAQUYANIM-UHFFFAOYSA-N 0 3 416.482 0.521 20 0 HCADHN COc1ccc(C(=O)NC2(CCO)CCN(C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000499118516 1079048021 /nfs/dbraw/zinc/04/80/21/1079048021.db2.gz QRBQUHZALZGPNB-UHFFFAOYSA-N 0 3 411.524 0.713 20 0 HCADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000499121782 1079046232 /nfs/dbraw/zinc/04/62/32/1079046232.db2.gz NDNMLACGGSSDNG-CYBMUJFWSA-N 0 3 401.510 0.462 20 0 HCADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000499121783 1079046296 /nfs/dbraw/zinc/04/62/96/1079046296.db2.gz NDNMLACGGSSDNG-ZDUSSCGKSA-N 0 3 401.510 0.462 20 0 HCADHN CN(C)C[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1 ZINC000499123784 1079046773 /nfs/dbraw/zinc/04/67/73/1079046773.db2.gz IIWWYJQOCLSARR-INIZCTEOSA-N 0 3 413.475 0.835 20 0 HCADHN CN(C)C[C@@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1 ZINC000499123785 1079046666 /nfs/dbraw/zinc/04/66/66/1079046666.db2.gz IIWWYJQOCLSARR-MRXNPFEDSA-N 0 3 413.475 0.835 20 0 HCADHN Cc1nc(C(=O)NC2(CCO)CCN(C)CC2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000499124857 1079047185 /nfs/dbraw/zinc/04/71/85/1079047185.db2.gz BXOUAMLPMNGOOZ-UHFFFAOYSA-N 0 3 402.381 0.289 20 0 HCADHN COc1ccc(C(=O)NC2(CCO)CCN(C)CC2)cc1S(=O)(=O)NC(C)C ZINC000499128682 1079049412 /nfs/dbraw/zinc/04/94/12/1079049412.db2.gz WMMFLRNCVYRGIB-UHFFFAOYSA-N 0 3 413.540 0.959 20 0 HCADHN Cc1ccc([C@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)N(C)C)cc1 ZINC000499134410 1079052140 /nfs/dbraw/zinc/05/21/40/1079052140.db2.gz GHPPYHVAXBITKX-INIZCTEOSA-N 0 3 412.494 0.551 20 0 HCADHN Cc1ccc([C@@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)N(C)C)cc1 ZINC000499134411 1079052256 /nfs/dbraw/zinc/05/22/56/1079052256.db2.gz GHPPYHVAXBITKX-MRXNPFEDSA-N 0 3 412.494 0.551 20 0 HCADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000499138486 1079053533 /nfs/dbraw/zinc/05/35/33/1079053533.db2.gz FBAWMSKSONQMPU-INIZCTEOSA-N 0 3 404.492 0.562 20 0 HCADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000499138487 1079053456 /nfs/dbraw/zinc/05/34/56/1079053456.db2.gz FBAWMSKSONQMPU-MRXNPFEDSA-N 0 3 404.492 0.562 20 0 HCADHN NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000499146242 1079056966 /nfs/dbraw/zinc/05/69/66/1079056966.db2.gz KBMDDJHQWZYUIS-UHFFFAOYSA-N 0 3 416.503 0.837 20 0 HCADHN COC[C@H]1CCCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000499146577 1079057407 /nfs/dbraw/zinc/05/74/07/1079057407.db2.gz MSVWFWJYYRAZQB-FXAWDEMLSA-N 0 3 417.506 0.856 20 0 HCADHN COC[C@H]1CCCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000499146578 1079057323 /nfs/dbraw/zinc/05/73/23/1079057323.db2.gz MSVWFWJYYRAZQB-PXNSSMCTSA-N 0 3 417.506 0.856 20 0 HCADHN COC[C@@H]1CCCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000499146579 1079057424 /nfs/dbraw/zinc/05/74/24/1079057424.db2.gz MSVWFWJYYRAZQB-XLIONFOSSA-N 0 3 417.506 0.856 20 0 HCADHN COC[C@@H]1CCCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000499146580 1079057387 /nfs/dbraw/zinc/05/73/87/1079057387.db2.gz MSVWFWJYYRAZQB-YLJYHZDGSA-N 0 3 417.506 0.856 20 0 HCADHN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000499150753 1079061813 /nfs/dbraw/zinc/06/18/13/1079061813.db2.gz YUNXUTVKLGWTNC-AWEZNQCLSA-N 0 3 413.496 0.610 20 0 HCADHN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000499150754 1079061765 /nfs/dbraw/zinc/06/17/65/1079061765.db2.gz YUNXUTVKLGWTNC-CQSZACIVSA-N 0 3 413.496 0.610 20 0 HCADHN Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)N(C)C)cc1 ZINC000499160591 1079069288 /nfs/dbraw/zinc/06/92/88/1079069288.db2.gz YHFJJMCNDVSNMV-BZSNNMDCSA-N 0 3 407.536 0.750 20 0 HCADHN Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)N(C)C)cc1 ZINC000499160593 1079069184 /nfs/dbraw/zinc/06/91/84/1079069184.db2.gz YHFJJMCNDVSNMV-KSZLIROESA-N 0 3 407.536 0.750 20 0 HCADHN Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)N(C)C)cc1 ZINC000499160595 1079069244 /nfs/dbraw/zinc/06/92/44/1079069244.db2.gz YHFJJMCNDVSNMV-KURKYZTESA-N 0 3 407.536 0.750 20 0 HCADHN Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)N(C)C)cc1 ZINC000499160597 1079069194 /nfs/dbraw/zinc/06/91/94/1079069194.db2.gz YHFJJMCNDVSNMV-SQNIBIBYSA-N 0 3 407.536 0.750 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000499161612 1079070236 /nfs/dbraw/zinc/07/02/36/1079070236.db2.gz NCEYYRONEVGXCR-GOSISDBHSA-N 0 3 404.511 0.825 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000499161613 1079070068 /nfs/dbraw/zinc/07/00/68/1079070068.db2.gz NCEYYRONEVGXCR-SFHVURJKSA-N 0 3 404.511 0.825 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000499162481 1079069842 /nfs/dbraw/zinc/06/98/42/1079069842.db2.gz BFTYFMWRTBKISV-GOSISDBHSA-N 0 3 420.510 0.661 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000499162483 1079069752 /nfs/dbraw/zinc/06/97/52/1079069752.db2.gz BFTYFMWRTBKISV-SFHVURJKSA-N 0 3 420.510 0.661 20 0 HCADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000499163361 1079070536 /nfs/dbraw/zinc/07/05/36/1079070536.db2.gz GEYHIWORGMEKJT-HNNXBMFYSA-N 0 3 406.483 0.563 20 0 HCADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000499163362 1079070592 /nfs/dbraw/zinc/07/05/92/1079070592.db2.gz GEYHIWORGMEKJT-OAHLLOKOSA-N 0 3 406.483 0.563 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000499163973 1079071400 /nfs/dbraw/zinc/07/14/00/1079071400.db2.gz JOBDFKBLWSAKOH-INIZCTEOSA-N 0 3 405.499 0.426 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000499163974 1079071433 /nfs/dbraw/zinc/07/14/33/1079071433.db2.gz JOBDFKBLWSAKOH-MRXNPFEDSA-N 0 3 405.499 0.426 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1-n1cnnn1 ZINC000499164105 1079071511 /nfs/dbraw/zinc/07/15/11/1079071511.db2.gz ZNFBYOZRXBRUDB-INIZCTEOSA-N 0 3 401.471 0.478 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1-n1cnnn1 ZINC000499164106 1079071546 /nfs/dbraw/zinc/07/15/46/1079071546.db2.gz ZNFBYOZRXBRUDB-MRXNPFEDSA-N 0 3 401.471 0.478 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000499166969 1079064986 /nfs/dbraw/zinc/06/49/86/1079064986.db2.gz FWIQUEBGYPJPLR-GOSISDBHSA-N 0 3 400.483 0.834 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000499166970 1079064962 /nfs/dbraw/zinc/06/49/62/1079064962.db2.gz FWIQUEBGYPJPLR-SFHVURJKSA-N 0 3 400.483 0.834 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000499169287 1079073471 /nfs/dbraw/zinc/07/34/71/1079073471.db2.gz MVJMVATVZODGSG-GOSISDBHSA-N 0 3 400.483 0.834 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000499169290 1079073423 /nfs/dbraw/zinc/07/34/23/1079073423.db2.gz MVJMVATVZODGSG-SFHVURJKSA-N 0 3 400.483 0.834 20 0 HCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000499171092 1079074889 /nfs/dbraw/zinc/07/48/89/1079074889.db2.gz RBJTVSWBVKZLCD-INIZCTEOSA-N 0 3 420.510 0.905 20 0 HCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000499171095 1079074915 /nfs/dbraw/zinc/07/49/15/1079074915.db2.gz RBJTVSWBVKZLCD-MRXNPFEDSA-N 0 3 420.510 0.905 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000499173210 1079075938 /nfs/dbraw/zinc/07/59/38/1079075938.db2.gz VUCBWABAONTTAT-KRWDZBQOSA-N 0 3 400.483 0.834 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000499173212 1079075775 /nfs/dbraw/zinc/07/57/75/1079075775.db2.gz VUCBWABAONTTAT-QGZVFWFLSA-N 0 3 400.483 0.834 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000499174504 1079076909 /nfs/dbraw/zinc/07/69/09/1079076909.db2.gz YANWMQVYQMTHCU-KRWDZBQOSA-N 0 3 403.483 0.724 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000499174505 1079076977 /nfs/dbraw/zinc/07/69/77/1079076977.db2.gz YANWMQVYQMTHCU-QGZVFWFLSA-N 0 3 403.483 0.724 20 0 HCADHN C[C@@H]1Oc2ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]3CCCO3)cc2NC1=O ZINC000499178672 1079079516 /nfs/dbraw/zinc/07/95/16/1079079516.db2.gz BXTFOFSHHXHSKP-DZGCQCFKSA-N 0 3 404.467 0.914 20 0 HCADHN C[C@H]1Oc2ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]3CCCO3)cc2NC1=O ZINC000499178673 1079079877 /nfs/dbraw/zinc/07/98/77/1079079877.db2.gz BXTFOFSHHXHSKP-HIFRSBDPSA-N 0 3 404.467 0.914 20 0 HCADHN C[C@H]1Oc2ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]3CCCO3)cc2NC1=O ZINC000499178676 1079080038 /nfs/dbraw/zinc/08/00/38/1079080038.db2.gz BXTFOFSHHXHSKP-UKRRQHHQSA-N 0 3 404.467 0.914 20 0 HCADHN C[C@@H]1Oc2ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]3CCCO3)cc2NC1=O ZINC000499178678 1079079958 /nfs/dbraw/zinc/07/99/58/1079079958.db2.gz BXTFOFSHHXHSKP-ZFWWWQNUSA-N 0 3 404.467 0.914 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000499179096 1079079419 /nfs/dbraw/zinc/07/94/19/1079079419.db2.gz WCYWPQRTPDVUPY-CYBMUJFWSA-N 0 3 415.487 0.737 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000499179101 1079079440 /nfs/dbraw/zinc/07/94/40/1079079440.db2.gz WCYWPQRTPDVUPY-ZDUSSCGKSA-N 0 3 415.487 0.737 20 0 HCADHN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000499179966 1079079944 /nfs/dbraw/zinc/07/99/44/1079079944.db2.gz YSACOHBPWFWLJC-INIZCTEOSA-N 0 3 411.524 0.988 20 0 HCADHN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000499179968 1079079840 /nfs/dbraw/zinc/07/98/40/1079079840.db2.gz YSACOHBPWFWLJC-MRXNPFEDSA-N 0 3 411.524 0.988 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000499180884 1079080297 /nfs/dbraw/zinc/08/02/97/1079080297.db2.gz MBVRDLWWLCKCFU-INIZCTEOSA-N 0 3 411.524 0.739 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000499180885 1079080408 /nfs/dbraw/zinc/08/04/08/1079080408.db2.gz MBVRDLWWLCKCFU-MRXNPFEDSA-N 0 3 411.524 0.739 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000499181579 1079080001 /nfs/dbraw/zinc/08/00/01/1079080001.db2.gz PNGUTGZOGHDOCR-KRWDZBQOSA-N 0 3 411.524 0.739 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000499181580 1079080418 /nfs/dbraw/zinc/08/04/18/1079080418.db2.gz PNGUTGZOGHDOCR-QGZVFWFLSA-N 0 3 411.524 0.739 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000499182049 1079081286 /nfs/dbraw/zinc/08/12/86/1079081286.db2.gz RXRXESAGXKRBLA-KRWDZBQOSA-N 0 3 411.524 0.739 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000499182050 1079081311 /nfs/dbraw/zinc/08/13/11/1079081311.db2.gz RXRXESAGXKRBLA-QGZVFWFLSA-N 0 3 411.524 0.739 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000499182068 1079081300 /nfs/dbraw/zinc/08/13/00/1079081300.db2.gz SEEWIKKNHONUAS-HNNXBMFYSA-N 0 3 403.483 0.385 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000499182069 1079081227 /nfs/dbraw/zinc/08/12/27/1079081227.db2.gz SEEWIKKNHONUAS-OAHLLOKOSA-N 0 3 403.483 0.385 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000499182380 1079080851 /nfs/dbraw/zinc/08/08/51/1079080851.db2.gz WLCCLZRZUSDNSV-AWEZNQCLSA-N 0 3 402.451 0.420 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000499182381 1079081262 /nfs/dbraw/zinc/08/12/62/1079081262.db2.gz WLCCLZRZUSDNSV-CQSZACIVSA-N 0 3 402.451 0.420 20 0 HCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c2ccccc2O1 ZINC000499185453 1079083023 /nfs/dbraw/zinc/08/30/23/1079083023.db2.gz BMPYISHGVQYFQH-CRAIPNDOSA-N 0 3 418.494 0.096 20 0 HCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c2ccccc2O1 ZINC000499185454 1079082997 /nfs/dbraw/zinc/08/29/97/1079082997.db2.gz BMPYISHGVQYFQH-MAUKXSAKSA-N 0 3 418.494 0.096 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c2ccccc2O1 ZINC000499185457 1079083071 /nfs/dbraw/zinc/08/30/71/1079083071.db2.gz BMPYISHGVQYFQH-QAPCUYQASA-N 0 3 418.494 0.096 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c2ccccc2O1 ZINC000499185459 1079083034 /nfs/dbraw/zinc/08/30/34/1079083034.db2.gz BMPYISHGVQYFQH-YJBOKZPZSA-N 0 3 418.494 0.096 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000499185761 1079078397 /nfs/dbraw/zinc/07/83/97/1079078397.db2.gz CTLRACFOKLGMRV-GOSISDBHSA-N 0 3 420.510 0.661 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000499185763 1079078240 /nfs/dbraw/zinc/07/82/40/1079078240.db2.gz CTLRACFOKLGMRV-SFHVURJKSA-N 0 3 420.510 0.661 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000499204383 1079091656 /nfs/dbraw/zinc/09/16/56/1079091656.db2.gz UNNCAWXKRNEGDR-KRWDZBQOSA-N 0 3 405.499 0.426 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000499204384 1079091674 /nfs/dbraw/zinc/09/16/74/1079091674.db2.gz UNNCAWXKRNEGDR-QGZVFWFLSA-N 0 3 405.499 0.426 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000499206723 1079093024 /nfs/dbraw/zinc/09/30/24/1079093024.db2.gz AMXNHYUFEZKKAA-KRWDZBQOSA-N 0 3 403.483 0.724 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000499206725 1079092918 /nfs/dbraw/zinc/09/29/18/1079092918.db2.gz AMXNHYUFEZKKAA-QGZVFWFLSA-N 0 3 403.483 0.724 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000499210603 1079093360 /nfs/dbraw/zinc/09/33/60/1079093360.db2.gz GTIWWWZZIGUHAW-KRWDZBQOSA-N 0 3 400.483 0.990 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000499210606 1079093310 /nfs/dbraw/zinc/09/33/10/1079093310.db2.gz GTIWWWZZIGUHAW-QGZVFWFLSA-N 0 3 400.483 0.990 20 0 HCADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000499216821 1079097940 /nfs/dbraw/zinc/09/79/40/1079097940.db2.gz TYAFKOHVGMLZCJ-KRWDZBQOSA-N 0 3 401.471 0.478 20 0 HCADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000499216822 1079098015 /nfs/dbraw/zinc/09/80/15/1079098015.db2.gz TYAFKOHVGMLZCJ-QGZVFWFLSA-N 0 3 401.471 0.478 20 0 HCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000499219022 1079099249 /nfs/dbraw/zinc/09/92/49/1079099249.db2.gz ZTZRQYSXFAVAHO-HNNXBMFYSA-N 0 3 412.512 0.102 20 0 HCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000499219024 1079099794 /nfs/dbraw/zinc/09/97/94/1079099794.db2.gz ZTZRQYSXFAVAHO-OAHLLOKOSA-N 0 3 412.512 0.102 20 0 HCADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CCO1 ZINC000499351825 1079447315 /nfs/dbraw/zinc/44/73/15/1079447315.db2.gz ZNERBYAUEWPZDH-AZUAARDMSA-N 0 3 402.539 0.946 20 0 HCADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CCO1 ZINC000499351826 1079447373 /nfs/dbraw/zinc/44/73/73/1079447373.db2.gz ZNERBYAUEWPZDH-ICSRJNTNSA-N 0 3 402.539 0.946 20 0 HCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CCO1 ZINC000499351827 1079447440 /nfs/dbraw/zinc/44/74/40/1079447440.db2.gz ZNERBYAUEWPZDH-QUCCMNQESA-N 0 3 402.539 0.946 20 0 HCADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CCO1 ZINC000499351828 1079447776 /nfs/dbraw/zinc/44/77/76/1079447776.db2.gz ZNERBYAUEWPZDH-UYAOXDASSA-N 0 3 402.539 0.946 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000499384132 1079807722 /nfs/dbraw/zinc/80/77/22/1079807722.db2.gz PVRXDFHYZPDHJY-CYBMUJFWSA-N 0 3 423.564 0.636 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000499384133 1079807889 /nfs/dbraw/zinc/80/78/89/1079807889.db2.gz PVRXDFHYZPDHJY-ZDUSSCGKSA-N 0 3 423.564 0.636 20 0 HCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000499386896 1080074100 /nfs/dbraw/zinc/07/41/00/1080074100.db2.gz FJRGBRVAJBICDV-CYBMUJFWSA-N 0 3 422.507 0.547 20 0 HCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000499386897 1080073874 /nfs/dbraw/zinc/07/38/74/1080073874.db2.gz FJRGBRVAJBICDV-ZDUSSCGKSA-N 0 3 422.507 0.547 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000499434146 1080382174 /nfs/dbraw/zinc/38/21/74/1080382174.db2.gz LEVNBBSZRRZONX-INIZCTEOSA-N 0 3 404.492 0.562 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000499434147 1080382460 /nfs/dbraw/zinc/38/24/60/1080382460.db2.gz LEVNBBSZRRZONX-MRXNPFEDSA-N 0 3 404.492 0.562 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(C)c2-c2ccccc2)CC1 ZINC000499450411 1080397483 /nfs/dbraw/zinc/39/74/83/1080397483.db2.gz CQMMXJXBBKLFNY-GOSISDBHSA-N 0 3 424.505 0.791 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(C)c2-c2ccccc2)CC1 ZINC000499450412 1080397575 /nfs/dbraw/zinc/39/75/75/1080397575.db2.gz CQMMXJXBBKLFNY-SFHVURJKSA-N 0 3 424.505 0.791 20 0 HCADHN CC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1F ZINC000499451989 1080399707 /nfs/dbraw/zinc/39/97/07/1080399707.db2.gz HRNGQEFVVGZISV-KRWDZBQOSA-N 0 3 404.442 0.732 20 0 HCADHN CC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1F ZINC000499451992 1080400044 /nfs/dbraw/zinc/40/00/44/1080400044.db2.gz HRNGQEFVVGZISV-QGZVFWFLSA-N 0 3 404.442 0.732 20 0 HCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000499525737 1080570471 /nfs/dbraw/zinc/57/04/71/1080570471.db2.gz BALQDYMZONZSKA-UHFFFAOYSA-N 0 3 400.426 0.170 20 0 HCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O ZINC000499526105 1080573503 /nfs/dbraw/zinc/57/35/03/1080573503.db2.gz CBZWJIQIKXARKM-UHFFFAOYSA-N 0 3 418.469 0.713 20 0 HCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000499530903 1080585065 /nfs/dbraw/zinc/58/50/65/1080585065.db2.gz QQRXQCQSNDCTIS-UHFFFAOYSA-N 0 3 419.263 0.969 20 0 HCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000499534136 1080592571 /nfs/dbraw/zinc/59/25/71/1080592571.db2.gz NKNHNHNKKBVXLD-UHFFFAOYSA-N 0 3 415.288 0.178 20 0 HCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000499534175 1080592752 /nfs/dbraw/zinc/59/27/52/1080592752.db2.gz WSROAFQYKISOJC-UHFFFAOYSA-N 0 3 410.272 0.761 20 0 HCADHN Cc1c(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)n(C)nc1C(F)(F)F ZINC000499572539 1080704509 /nfs/dbraw/zinc/70/45/09/1080704509.db2.gz PFMVTVDTRFVCIE-LLVKDONJSA-N 0 3 404.437 0.828 20 0 HCADHN Cc1c(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)n(C)nc1C(F)(F)F ZINC000499572550 1080704561 /nfs/dbraw/zinc/70/45/61/1080704561.db2.gz PFMVTVDTRFVCIE-NSHDSACASA-N 0 3 404.437 0.828 20 0 HCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000499573012 1080706218 /nfs/dbraw/zinc/70/62/18/1080706218.db2.gz PULNXVFXNHXWKI-GFCCVEGCSA-N 0 3 423.901 0.752 20 0 HCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000499573014 1080706125 /nfs/dbraw/zinc/70/61/25/1080706125.db2.gz PULNXVFXNHXWKI-LBPRGKRZSA-N 0 3 423.901 0.752 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499587669 1080763267 /nfs/dbraw/zinc/76/32/67/1080763267.db2.gz SGNMRAFZEOEYPD-JXFKEZNVSA-N 0 3 402.539 0.716 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499587670 1080763218 /nfs/dbraw/zinc/76/32/18/1080763218.db2.gz SGNMRAFZEOEYPD-OXJNMPFZSA-N 0 3 402.539 0.716 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499587671 1080763149 /nfs/dbraw/zinc/76/31/49/1080763149.db2.gz SGNMRAFZEOEYPD-OXQOHEQNSA-N 0 3 402.539 0.716 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499587672 1080763097 /nfs/dbraw/zinc/76/30/97/1080763097.db2.gz SGNMRAFZEOEYPD-UZLBHIALSA-N 0 3 402.539 0.716 20 0 HCADHN CC(C)CN1CCO[C@@H](CNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000499600341 1080776929 /nfs/dbraw/zinc/77/69/29/1080776929.db2.gz NGQVNIYYKVRJLS-IBGZPJMESA-N 0 3 404.559 0.989 20 0 HCADHN CC(C)CN1CCO[C@H](CNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000499600342 1080777115 /nfs/dbraw/zinc/77/71/15/1080777115.db2.gz NGQVNIYYKVRJLS-LJQANCHMSA-N 0 3 404.559 0.989 20 0 HCADHN CC(C)[C@H](CNC(=O)NCc1ccnc(N2CCOCC2)c1)N1CCN(C)CC1 ZINC000499602441 1080780999 /nfs/dbraw/zinc/78/09/99/1080780999.db2.gz NBMMGJKJQDTTER-IBGZPJMESA-N 0 3 404.559 0.989 20 0 HCADHN CC(C)[C@@H](CNC(=O)NCc1ccnc(N2CCOCC2)c1)N1CCN(C)CC1 ZINC000499602442 1080781067 /nfs/dbraw/zinc/78/10/67/1080781067.db2.gz NBMMGJKJQDTTER-LJQANCHMSA-N 0 3 404.559 0.989 20 0 HCADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000499653991 1080863934 /nfs/dbraw/zinc/86/39/34/1080863934.db2.gz AIWGGZXOSDDLIG-FXAWDEMLSA-N 0 3 402.539 0.981 20 0 HCADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000499653993 1080863810 /nfs/dbraw/zinc/86/38/10/1080863810.db2.gz AIWGGZXOSDDLIG-PXNSSMCTSA-N 0 3 402.539 0.981 20 0 HCADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000499653994 1080863824 /nfs/dbraw/zinc/86/38/24/1080863824.db2.gz AIWGGZXOSDDLIG-XLIONFOSSA-N 0 3 402.539 0.981 20 0 HCADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000499653996 1080863836 /nfs/dbraw/zinc/86/38/36/1080863836.db2.gz AIWGGZXOSDDLIG-YLJYHZDGSA-N 0 3 402.539 0.981 20 0 HCADHN COCCNc1nc(NCC2(C)CCOCC2)nc(NCC2(C)CCOCC2)n1 ZINC000499664853 1080980075 /nfs/dbraw/zinc/98/00/75/1080980075.db2.gz SGIVQBCFYAQNLF-UHFFFAOYSA-N 0 3 408.547 0.653 20 0 HCADHN CN1CCN(CCCNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000499710446 1081092768 /nfs/dbraw/zinc/09/27/68/1081092768.db2.gz PHFOUCWJWIDKQM-KRWDZBQOSA-N 0 3 402.495 0.564 20 0 HCADHN CN1CCN(CCCNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000499710447 1081092638 /nfs/dbraw/zinc/09/26/38/1081092638.db2.gz PHFOUCWJWIDKQM-QGZVFWFLSA-N 0 3 402.495 0.564 20 0 HCADHN CN1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000499722034 1081109783 /nfs/dbraw/zinc/10/97/83/1081109783.db2.gz XBARZRAUNDZVFR-FQEVSTJZSA-N 0 3 422.595 0.982 20 0 HCADHN CN1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000499722035 1081109485 /nfs/dbraw/zinc/10/94/85/1081109485.db2.gz XBARZRAUNDZVFR-HXUWFJFHSA-N 0 3 422.595 0.982 20 0 HCADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000499737557 1081143469 /nfs/dbraw/zinc/14/34/69/1081143469.db2.gz BFFUMBFKAZZQBT-FXAWDEMLSA-N 0 3 402.539 0.586 20 0 HCADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000499737561 1081143255 /nfs/dbraw/zinc/14/32/55/1081143255.db2.gz BFFUMBFKAZZQBT-PXNSSMCTSA-N 0 3 402.539 0.586 20 0 HCADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000499737563 1081143600 /nfs/dbraw/zinc/14/36/00/1081143600.db2.gz BFFUMBFKAZZQBT-XLIONFOSSA-N 0 3 402.539 0.586 20 0 HCADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000499737565 1081143938 /nfs/dbraw/zinc/14/39/38/1081143938.db2.gz BFFUMBFKAZZQBT-YLJYHZDGSA-N 0 3 402.539 0.586 20 0 HCADHN COCCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499738814 1081144612 /nfs/dbraw/zinc/14/46/12/1081144612.db2.gz GVWYAQOSEBKCGJ-CRAIPNDOSA-N 0 3 413.540 0.250 20 0 HCADHN COCCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499738815 1081144573 /nfs/dbraw/zinc/14/45/73/1081144573.db2.gz GVWYAQOSEBKCGJ-MAUKXSAKSA-N 0 3 413.540 0.250 20 0 HCADHN COCCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499738816 1081144549 /nfs/dbraw/zinc/14/45/49/1081144549.db2.gz GVWYAQOSEBKCGJ-QAPCUYQASA-N 0 3 413.540 0.250 20 0 HCADHN COCCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499738817 1081144597 /nfs/dbraw/zinc/14/45/97/1081144597.db2.gz GVWYAQOSEBKCGJ-YJBOKZPZSA-N 0 3 413.540 0.250 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H](NC(=O)C3CC3)[C@H](C)O)cc2)CC1 ZINC000499744628 1081152548 /nfs/dbraw/zinc/15/25/48/1081152548.db2.gz VKYCVYXKJQZGBD-JXFKEZNVSA-N 0 3 402.539 0.716 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)[C@H](NC(=O)C3CC3)[C@H](C)O)cc2)CC1 ZINC000499744629 1081152881 /nfs/dbraw/zinc/15/28/81/1081152881.db2.gz VKYCVYXKJQZGBD-OXJNMPFZSA-N 0 3 402.539 0.716 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)[C@H](NC(=O)C3CC3)[C@@H](C)O)cc2)CC1 ZINC000499744630 1081152839 /nfs/dbraw/zinc/15/28/39/1081152839.db2.gz VKYCVYXKJQZGBD-OXQOHEQNSA-N 0 3 402.539 0.716 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H](NC(=O)C3CC3)[C@@H](C)O)cc2)CC1 ZINC000499744977 1081152782 /nfs/dbraw/zinc/15/27/82/1081152782.db2.gz VKYCVYXKJQZGBD-UZLBHIALSA-N 0 3 402.539 0.716 20 0 HCADHN Cc1cc(NC(=O)CCN2C[C@@H](C)N(CCC(=O)Nc3cc(C)on3)[C@@H](C)C2)no1 ZINC000499750637 1081161039 /nfs/dbraw/zinc/16/10/39/1081161039.db2.gz SIABVERPNSZSBD-OKILXGFUSA-N 0 3 418.498 0.875 20 0 HCADHN COC(=O)CCN1CC[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C1=O ZINC000499758266 1081172436 /nfs/dbraw/zinc/17/24/36/1081172436.db2.gz NANNZKWWERSRGJ-GOSISDBHSA-N 0 3 402.495 0.898 20 0 HCADHN COC(=O)CCN1CC[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1=O ZINC000499758267 1081172296 /nfs/dbraw/zinc/17/22/96/1081172296.db2.gz NANNZKWWERSRGJ-SFHVURJKSA-N 0 3 402.495 0.898 20 0 HCADHN COC(=O)CCN1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1=O ZINC000499777702 1081214846 /nfs/dbraw/zinc/21/48/46/1081214846.db2.gz YMASFZFSTZTEIA-HNNXBMFYSA-N 0 3 412.556 0.811 20 0 HCADHN COC(=O)CCN1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1=O ZINC000499777703 1081214599 /nfs/dbraw/zinc/21/45/99/1081214599.db2.gz YMASFZFSTZTEIA-OAHLLOKOSA-N 0 3 412.556 0.811 20 0 HCADHN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000499783098 1081221396 /nfs/dbraw/zinc/22/13/96/1081221396.db2.gz ROFMVCDVXHDTBO-UHFFFAOYSA-N 0 3 401.485 0.074 20 0 HCADHN CN(CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)S(C)(=O)=O ZINC000499790509 1081236815 /nfs/dbraw/zinc/23/68/15/1081236815.db2.gz DIOYWGCEFMLIRP-KRWDZBQOSA-N 0 3 409.556 0.334 20 0 HCADHN CN(CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)S(C)(=O)=O ZINC000499790511 1081236528 /nfs/dbraw/zinc/23/65/28/1081236528.db2.gz DIOYWGCEFMLIRP-QGZVFWFLSA-N 0 3 409.556 0.334 20 0 HCADHN COC(=O)CCN1CC[C@H](NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499799652 1081242193 /nfs/dbraw/zinc/24/21/93/1081242193.db2.gz SDBFRUYMLDBCAM-BQFCYCMXSA-N 0 3 424.542 0.681 20 0 HCADHN COC(=O)CCN1CC[C@H](NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499799653 1081242289 /nfs/dbraw/zinc/24/22/89/1081242289.db2.gz SDBFRUYMLDBCAM-JZXOWHBKSA-N 0 3 424.542 0.681 20 0 HCADHN COC(=O)CCN1CC[C@H](NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000499799654 1081242333 /nfs/dbraw/zinc/24/23/33/1081242333.db2.gz SDBFRUYMLDBCAM-NUJGCVRESA-N 0 3 424.542 0.681 20 0 HCADHN COC(=O)CCN1CC[C@@H](NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499799655 1081242173 /nfs/dbraw/zinc/24/21/73/1081242173.db2.gz SDBFRUYMLDBCAM-SOLBZPMBSA-N 0 3 424.542 0.681 20 0 HCADHN O=C(CN1CSCC1=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000499805111 1081246431 /nfs/dbraw/zinc/24/64/31/1081246431.db2.gz AOHRUBJFNMOUJS-KRWDZBQOSA-N 0 3 403.552 0.975 20 0 HCADHN O=C(CN1CSCC1=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000499805112 1081246576 /nfs/dbraw/zinc/24/65/76/1081246576.db2.gz AOHRUBJFNMOUJS-QGZVFWFLSA-N 0 3 403.552 0.975 20 0 HCADHN CN1CC(=O)N(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000499806666 1081251578 /nfs/dbraw/zinc/25/15/78/1081251578.db2.gz YXWUCQOGBLZRMZ-KRWDZBQOSA-N 0 3 414.510 0.336 20 0 HCADHN CN1CC(=O)N(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000499806689 1081251265 /nfs/dbraw/zinc/25/12/65/1081251265.db2.gz YXWUCQOGBLZRMZ-QGZVFWFLSA-N 0 3 414.510 0.336 20 0 HCADHN O=C(CN1CCCS1(=O)=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000499809462 1081252956 /nfs/dbraw/zinc/25/29/56/1081252956.db2.gz JOPKECCNLHIFIA-GOSISDBHSA-N 0 3 421.567 0.478 20 0 HCADHN O=C(CN1CCCS1(=O)=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000499809471 1081252910 /nfs/dbraw/zinc/25/29/10/1081252910.db2.gz JOPKECCNLHIFIA-SFHVURJKSA-N 0 3 421.567 0.478 20 0 HCADHN O=C(CCN1C(=O)CCC1=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000499826951 1081263945 /nfs/dbraw/zinc/26/39/45/1081263945.db2.gz JEEUKQFGCZENGV-GOSISDBHSA-N 0 3 413.522 0.981 20 0 HCADHN O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000499826955 1081263834 /nfs/dbraw/zinc/26/38/34/1081263834.db2.gz JEEUKQFGCZENGV-SFHVURJKSA-N 0 3 413.522 0.981 20 0 HCADHN COCCN(CCN(C)C)C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000499839411 1081273522 /nfs/dbraw/zinc/27/35/22/1081273522.db2.gz LPIWPWMLPHUMNQ-DOTOQJQBSA-N 0 3 401.529 0.059 20 0 HCADHN COCCN(CCN(C)C)C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000499839414 1081273811 /nfs/dbraw/zinc/27/38/11/1081273811.db2.gz LPIWPWMLPHUMNQ-NVXWUHKLSA-N 0 3 401.529 0.059 20 0 HCADHN COCCN(CCN(C)C)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000499839415 1081273871 /nfs/dbraw/zinc/27/38/71/1081273871.db2.gz LPIWPWMLPHUMNQ-RDJZCZTQSA-N 0 3 401.529 0.059 20 0 HCADHN COCCN(CCN(C)C)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000499839417 1081273733 /nfs/dbraw/zinc/27/37/33/1081273733.db2.gz LPIWPWMLPHUMNQ-WBVHZDCISA-N 0 3 401.529 0.059 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000499861693 1081285052 /nfs/dbraw/zinc/28/50/52/1081285052.db2.gz MJFFFYLVVNCCII-JFIYKMOQSA-N 0 3 413.540 0.250 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000499861694 1081285037 /nfs/dbraw/zinc/28/50/37/1081285037.db2.gz MJFFFYLVVNCCII-JZXOWHBKSA-N 0 3 413.540 0.250 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000499861695 1081284947 /nfs/dbraw/zinc/28/49/47/1081284947.db2.gz MJFFFYLVVNCCII-LZLYRXPVSA-N 0 3 413.540 0.250 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000499861696 1081284843 /nfs/dbraw/zinc/28/48/43/1081284843.db2.gz MJFFFYLVVNCCII-NUJGCVRESA-N 0 3 413.540 0.250 20 0 HCADHN CCN1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000499880580 1081291064 /nfs/dbraw/zinc/29/10/64/1081291064.db2.gz IWGJMAAYLZIXII-UHFFFAOYSA-N 0 3 401.554 0.866 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000499895127 1081292811 /nfs/dbraw/zinc/29/28/11/1081292811.db2.gz KIOODCASHVCQJG-HNNXBMFYSA-N 0 3 414.528 0.218 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000499895128 1081293105 /nfs/dbraw/zinc/29/31/05/1081293105.db2.gz KIOODCASHVCQJG-OAHLLOKOSA-N 0 3 414.528 0.218 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000499898922 1081297771 /nfs/dbraw/zinc/29/77/71/1081297771.db2.gz ORRUEAUUEROMSR-IBGZPJMESA-N 0 3 414.506 0.628 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000499898929 1081297701 /nfs/dbraw/zinc/29/77/01/1081297701.db2.gz ORRUEAUUEROMSR-LJQANCHMSA-N 0 3 414.506 0.628 20 0 HCADHN Cc1c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)n(C)nc1C(F)(F)F ZINC000499901907 1081301060 /nfs/dbraw/zinc/30/10/60/1081301060.db2.gz FOZXVAMJQYCDDW-UHFFFAOYSA-N 0 3 404.437 0.782 20 0 HCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000499902632 1081301454 /nfs/dbraw/zinc/30/14/54/1081301454.db2.gz HGEPXHIJUCPESC-UHFFFAOYSA-N 0 3 421.494 0.768 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000499907425 1081300466 /nfs/dbraw/zinc/30/04/66/1081300466.db2.gz RGQBVPHMPHFOJA-UHFFFAOYSA-N 0 3 423.901 0.705 20 0 HCADHN CC(C)[C@H](CNC(=O)NCc1cccnc1N1CCOCC1)N1CCN(C)CC1 ZINC000499912897 1081303972 /nfs/dbraw/zinc/30/39/72/1081303972.db2.gz MIVUHWISBMUVFZ-IBGZPJMESA-N 0 3 404.559 0.989 20 0 HCADHN CC(C)[C@@H](CNC(=O)NCc1cccnc1N1CCOCC1)N1CCN(C)CC1 ZINC000499912899 1081303881 /nfs/dbraw/zinc/30/38/81/1081303881.db2.gz MIVUHWISBMUVFZ-LJQANCHMSA-N 0 3 404.559 0.989 20 0 HCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000499914780 1081301717 /nfs/dbraw/zinc/30/17/17/1081301717.db2.gz MZYXENQVEBZOKH-UHFFFAOYSA-N 0 3 402.542 0.270 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000499916387 1081302117 /nfs/dbraw/zinc/30/21/17/1081302117.db2.gz CUHWBCWNDJYRGM-DZGCQCFKSA-N 0 3 402.517 0.527 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000499916388 1081302180 /nfs/dbraw/zinc/30/21/80/1081302180.db2.gz CUHWBCWNDJYRGM-ZFWWWQNUSA-N 0 3 402.517 0.527 20 0 HCADHN COCCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000499921011 1081305986 /nfs/dbraw/zinc/30/59/86/1081305986.db2.gz NDCGXDUARAQGGG-KRWDZBQOSA-N 0 3 413.540 0.794 20 0 HCADHN COCCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000499921014 1081305748 /nfs/dbraw/zinc/30/57/48/1081305748.db2.gz NDCGXDUARAQGGG-QGZVFWFLSA-N 0 3 413.540 0.794 20 0 HCADHN C[C@@H]1CCC[C@@H](CO)N1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000501056663 1074622433 /nfs/dbraw/zinc/62/24/33/1074622433.db2.gz ZGUILIURYJTEOZ-MJGOQNOKSA-N 0 3 409.552 0.896 20 0 HCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503357556 1074795937 /nfs/dbraw/zinc/79/59/37/1074795937.db2.gz JOOSKNSDTMDYJB-UHFFFAOYSA-N 0 3 419.501 0.434 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H](C(=O)OC)C2)CC1 ZINC000503448621 1074801140 /nfs/dbraw/zinc/80/11/40/1074801140.db2.gz APGSNLNKFPYDAY-LJQANCHMSA-N 0 3 404.511 0.908 20 0 HCADHN CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000503628166 1074811162 /nfs/dbraw/zinc/81/11/62/1074811162.db2.gz XZGGXKZYFFIQLE-UHFFFAOYSA-N 0 3 406.458 0.930 20 0 HCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000504019903 1075312194 /nfs/dbraw/zinc/31/21/94/1075312194.db2.gz KDVFAYPHVGFAMJ-GASCZTMLSA-N 0 3 417.510 0.480 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)N(C)C ZINC000504022410 1075312547 /nfs/dbraw/zinc/31/25/47/1075312547.db2.gz SLLHHXMWVPNBRG-AWEZNQCLSA-N 0 3 416.526 0.872 20 0 HCADHN CC(C)C(=O)NCCN(C)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000504797560 1075425507 /nfs/dbraw/zinc/42/55/07/1075425507.db2.gz RPPWQCJJDGSVOM-UHFFFAOYSA-N 0 3 405.499 0.724 20 0 HCADHN O=C(CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC000504895499 1075439751 /nfs/dbraw/zinc/43/97/51/1075439751.db2.gz OPWMJXMBHVSDKD-MSOLQXFVSA-N 0 3 422.551 0.644 20 0 HCADHN COC(=O)c1cn(CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)nn1 ZINC000505035450 1075461468 /nfs/dbraw/zinc/46/14/68/1075461468.db2.gz KFTGGZNNTUJOBJ-IRXDYDNUSA-N 0 3 416.482 0.247 20 0 HCADHN COC(=O)c1cn(CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nn1 ZINC000505035451 1075461398 /nfs/dbraw/zinc/46/13/98/1075461398.db2.gz KFTGGZNNTUJOBJ-SJORKVTESA-N 0 3 416.482 0.247 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1 ZINC000505361094 1075512954 /nfs/dbraw/zinc/51/29/54/1075512954.db2.gz CVFNCJXDVIZJTD-UHFFFAOYSA-N 0 3 410.478 0.802 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1 ZINC000505374230 1075514728 /nfs/dbraw/zinc/51/47/28/1075514728.db2.gz AKTIFQWBCASZRH-UHFFFAOYSA-N 0 3 415.582 0.817 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000505375809 1075515139 /nfs/dbraw/zinc/51/51/39/1075515139.db2.gz VKIZCSJPEWBUHV-UHFFFAOYSA-N 0 3 422.551 0.853 20 0 HCADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CCN(C)C)C3CC3)c2)CC1 ZINC000505640389 1075547978 /nfs/dbraw/zinc/54/79/78/1075547978.db2.gz XFZYRHCRJZEYHQ-UHFFFAOYSA-N 0 3 422.551 0.706 20 0 HCADHN Cc1nc(C(C)(C)NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)no1 ZINC000505834099 1075569092 /nfs/dbraw/zinc/56/90/92/1075569092.db2.gz SNZVQJKPZCATEJ-UHFFFAOYSA-N 0 3 416.438 0.838 20 0 HCADHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000506030965 1075584878 /nfs/dbraw/zinc/58/48/78/1075584878.db2.gz JNKOWYCECMAEBL-ROUUACIJSA-N 0 3 417.510 0.568 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCN(Cc3ccncc3)CC2)Cc2ccccc2C1 ZINC000506401949 1075651820 /nfs/dbraw/zinc/65/18/20/1075651820.db2.gz LRUYAZUCAFDBCF-UHFFFAOYSA-N 0 3 421.545 0.941 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCN1CC(C)(C)O ZINC000506405910 1075652034 /nfs/dbraw/zinc/65/20/34/1075652034.db2.gz RTKXCRONAAWGDD-KRWDZBQOSA-N 0 3 416.566 0.505 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)Cc2ccccc2C1 ZINC000506427837 1075658675 /nfs/dbraw/zinc/65/86/75/1075658675.db2.gz IRWAFYFFIFPOGA-UHFFFAOYSA-N 0 3 422.533 0.731 20 0 HCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000506716976 1075701851 /nfs/dbraw/zinc/70/18/51/1075701851.db2.gz FWSMUNIYHKDNRF-INIZCTEOSA-N 0 3 410.540 0.817 20 0 HCADHN CCN(CC)CC(=O)N1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC1 ZINC000507674203 1075807509 /nfs/dbraw/zinc/80/75/09/1075807509.db2.gz RQYCKMBEHBGLBW-FQEVSTJZSA-N 0 3 402.539 0.789 20 0 HCADHN CCN(CC)CC(=O)N1CCN(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC1 ZINC000507674207 1075807527 /nfs/dbraw/zinc/80/75/27/1075807527.db2.gz RQYCKMBEHBGLBW-HXUWFJFHSA-N 0 3 402.539 0.789 20 0 HCADHN CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC000507687064 1075808915 /nfs/dbraw/zinc/80/89/15/1075808915.db2.gz ZZINKOFFIUKQOF-QGZVFWFLSA-N 0 3 410.559 0.663 20 0 HCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000508011357 1075840646 /nfs/dbraw/zinc/84/06/46/1075840646.db2.gz AHHBDCCSCBBQTH-QGZVFWFLSA-N 0 3 407.544 0.699 20 0 HCADHN C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508849451 1075094778 /nfs/dbraw/zinc/09/47/78/1075094778.db2.gz BWWOFGIQZFFWMW-GHTZIAJQSA-N 0 3 417.554 0.864 20 0 HCADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508849453 1075094673 /nfs/dbraw/zinc/09/46/73/1075094673.db2.gz BWWOFGIQZFFWMW-NQIIRXRSSA-N 0 3 417.554 0.864 20 0 HCADHN C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508849455 1075094745 /nfs/dbraw/zinc/09/47/45/1075094745.db2.gz BWWOFGIQZFFWMW-RXVVDRJESA-N 0 3 417.554 0.864 20 0 HCADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508849457 1075094693 /nfs/dbraw/zinc/09/46/93/1075094693.db2.gz BWWOFGIQZFFWMW-WIYYLYMNSA-N 0 3 417.554 0.864 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508860592 1075457676 /nfs/dbraw/zinc/45/76/76/1075457676.db2.gz FFLAYUFWFVRAPJ-FXAWDEMLSA-N 0 3 405.543 0.768 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508860593 1075457575 /nfs/dbraw/zinc/45/75/75/1075457575.db2.gz FFLAYUFWFVRAPJ-PXNSSMCTSA-N 0 3 405.543 0.768 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508860594 1075457498 /nfs/dbraw/zinc/45/74/98/1075457498.db2.gz FFLAYUFWFVRAPJ-XLIONFOSSA-N 0 3 405.543 0.768 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508860595 1075457710 /nfs/dbraw/zinc/45/77/10/1075457710.db2.gz FFLAYUFWFVRAPJ-YLJYHZDGSA-N 0 3 405.543 0.768 20 0 HCADHN C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508865355 1075550549 /nfs/dbraw/zinc/55/05/49/1075550549.db2.gz OUXWCEJNTJLFBL-CRAIPNDOSA-N 0 3 401.511 0.810 20 0 HCADHN C[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508865357 1075550442 /nfs/dbraw/zinc/55/04/42/1075550442.db2.gz OUXWCEJNTJLFBL-MAUKXSAKSA-N 0 3 401.511 0.810 20 0 HCADHN C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508865359 1075550471 /nfs/dbraw/zinc/55/04/71/1075550471.db2.gz OUXWCEJNTJLFBL-QAPCUYQASA-N 0 3 401.511 0.810 20 0 HCADHN C[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508865361 1075550493 /nfs/dbraw/zinc/55/04/93/1075550493.db2.gz OUXWCEJNTJLFBL-YJBOKZPZSA-N 0 3 401.511 0.810 20 0 HCADHN C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508896352 1080311688 /nfs/dbraw/zinc/31/16/88/1080311688.db2.gz MJGJYDISLLOGGH-CRAIPNDOSA-N 0 3 400.487 0.218 20 0 HCADHN C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508896353 1080311814 /nfs/dbraw/zinc/31/18/14/1080311814.db2.gz MJGJYDISLLOGGH-MAUKXSAKSA-N 0 3 400.487 0.218 20 0 HCADHN C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508896354 1080311853 /nfs/dbraw/zinc/31/18/53/1080311853.db2.gz MJGJYDISLLOGGH-QAPCUYQASA-N 0 3 400.487 0.218 20 0 HCADHN C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508896356 1080311587 /nfs/dbraw/zinc/31/15/87/1080311587.db2.gz MJGJYDISLLOGGH-YJBOKZPZSA-N 0 3 400.487 0.218 20 0 HCADHN CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1)C(N)=O ZINC000509001014 1081351878 /nfs/dbraw/zinc/35/18/78/1081351878.db2.gz QMDAGRZNNVVXPR-UHFFFAOYSA-N 0 3 417.510 0.305 20 0 HCADHN CCC[C@H](NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C(N)=O ZINC000509003792 1081351181 /nfs/dbraw/zinc/35/11/81/1081351181.db2.gz CSAMVFCAKGATMA-INIZCTEOSA-N 0 3 403.483 0.093 20 0 HCADHN CCC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)C(N)=O ZINC000509006469 1081352726 /nfs/dbraw/zinc/35/27/26/1081352726.db2.gz YPKWUMHIQWPBPJ-IRXDYDNUSA-N 0 3 417.510 0.562 20 0 HCADHN CCC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)C(N)=O ZINC000509006478 1081352627 /nfs/dbraw/zinc/35/26/27/1081352627.db2.gz YPKWUMHIQWPBPJ-SJORKVTESA-N 0 3 417.510 0.562 20 0 HCADHN CCOC(=O)CNC(=O)[C@@H]1COCCN1CCCN1CCN(c2ccccc2)CC1 ZINC000509008548 1081353864 /nfs/dbraw/zinc/35/38/64/1081353864.db2.gz YFTHGXYFEDWDNM-FQEVSTJZSA-N 0 3 418.538 0.579 20 0 HCADHN CCOC(=O)CNC(=O)[C@H]1COCCN1CCCN1CCN(c2ccccc2)CC1 ZINC000509008549 1081354017 /nfs/dbraw/zinc/35/40/17/1081354017.db2.gz 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/nfs/dbraw/zinc/53/94/57/1074539457.db2.gz PJUQZPZIWOSAJJ-VXNCWWDNSA-N 0 3 405.520 0.584 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 ZINC000534067178 1074546739 /nfs/dbraw/zinc/54/67/39/1074546739.db2.gz JEJYRMLFUKKXNK-UHFFFAOYSA-N 0 3 411.524 0.956 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1 ZINC000534067410 1074547546 /nfs/dbraw/zinc/54/75/46/1074547546.db2.gz PIXSQOHKKJIOIC-UHFFFAOYSA-N 0 3 415.512 0.843 20 0 HCADHN CNS(=O)(=O)c1cc(C(=O)NCCCN2CCC(C(=O)OC)CC2)c(C)o1 ZINC000534068711 1074547438 /nfs/dbraw/zinc/54/74/38/1074547438.db2.gz GGECLZTVPPCNRD-UHFFFAOYSA-N 0 3 401.485 0.501 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000534069137 1074547339 /nfs/dbraw/zinc/54/73/39/1074547339.db2.gz GYFDMDHNORZEJL-UHFFFAOYSA-N 0 3 416.478 0.743 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 ZINC000534069261 1074548185 /nfs/dbraw/zinc/54/81/85/1074548185.db2.gz FNHYTVHVHOFEQN-UHFFFAOYSA-N 0 3 411.524 0.698 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1 ZINC000534091807 1074549854 /nfs/dbraw/zinc/54/98/54/1074549854.db2.gz RBHHCMCXAKYIPG-CVEARBPZSA-N 0 3 401.554 0.729 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000534091808 1074550103 /nfs/dbraw/zinc/55/01/03/1074550103.db2.gz RBHHCMCXAKYIPG-HOTGVXAUSA-N 0 3 401.554 0.729 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000534091809 1074549946 /nfs/dbraw/zinc/54/99/46/1074549946.db2.gz RBHHCMCXAKYIPG-HZPDHXFCSA-N 0 3 401.554 0.729 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000534091810 1074549898 /nfs/dbraw/zinc/54/98/98/1074549898.db2.gz RBHHCMCXAKYIPG-JKSUJKDBSA-N 0 3 401.554 0.729 20 0 HCADHN CS[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@@H]1N(C)C ZINC000534094918 1074551252 /nfs/dbraw/zinc/55/12/52/1074551252.db2.gz KCLWMHBXAVGZBG-DLBZAZTESA-N 0 3 412.581 0.986 20 0 HCADHN CS[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@H]1N(C)C ZINC000534094919 1074551116 /nfs/dbraw/zinc/55/11/16/1074551116.db2.gz KCLWMHBXAVGZBG-IAGOWNOFSA-N 0 3 412.581 0.986 20 0 HCADHN CS[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@@H]1N(C)C ZINC000534094920 1074551266 /nfs/dbraw/zinc/55/12/66/1074551266.db2.gz KCLWMHBXAVGZBG-IRXDYDNUSA-N 0 3 412.581 0.986 20 0 HCADHN CS[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@H]1N(C)C ZINC000534094921 1074551128 /nfs/dbraw/zinc/55/11/28/1074551128.db2.gz KCLWMHBXAVGZBG-SJORKVTESA-N 0 3 412.581 0.986 20 0 HCADHN CS[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@H]1N(C)C ZINC000534095212 1074551723 /nfs/dbraw/zinc/55/17/23/1074551723.db2.gz RNVAKVUBVBUMPH-CHWSQXEVSA-N 0 3 419.594 0.887 20 0 HCADHN CS[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@H]1N(C)C ZINC000534095213 1074551880 /nfs/dbraw/zinc/55/18/80/1074551880.db2.gz RNVAKVUBVBUMPH-OLZOCXBDSA-N 0 3 419.594 0.887 20 0 HCADHN CS[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@@H]1N(C)C ZINC000534095214 1074551949 /nfs/dbraw/zinc/55/19/49/1074551949.db2.gz RNVAKVUBVBUMPH-QWHCGFSZSA-N 0 3 419.594 0.887 20 0 HCADHN CS[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@@H]1N(C)C ZINC000534095215 1074551589 /nfs/dbraw/zinc/55/15/89/1074551589.db2.gz RNVAKVUBVBUMPH-STQMWFEESA-N 0 3 419.594 0.887 20 0 HCADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)Cc1ccccc1 ZINC000534095911 1074551820 /nfs/dbraw/zinc/55/18/20/1074551820.db2.gz ADIUICISYUCNQN-HNNXBMFYSA-N 0 3 408.462 0.889 20 0 HCADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)Cc1ccccc1 ZINC000534095912 1074551647 /nfs/dbraw/zinc/55/16/47/1074551647.db2.gz ADIUICISYUCNQN-OAHLLOKOSA-N 0 3 408.462 0.889 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534096174 1074552470 /nfs/dbraw/zinc/55/24/70/1074552470.db2.gz FIXOVMHPDIUORU-CYBMUJFWSA-N 0 3 402.455 0.170 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534096175 1074552356 /nfs/dbraw/zinc/55/23/56/1074552356.db2.gz FIXOVMHPDIUORU-ZDUSSCGKSA-N 0 3 402.455 0.170 20 0 HCADHN COC(=O)c1cc(I)cc(NC(=O)C(=O)NCCN(C)C)c1 ZINC000534098740 1074553444 /nfs/dbraw/zinc/55/34/44/1074553444.db2.gz NGSMPXJJQOJLKU-UHFFFAOYSA-N 0 3 419.219 0.694 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534098776 1074553648 /nfs/dbraw/zinc/55/36/48/1074553648.db2.gz PNEIZXOXKHGNGI-UHFFFAOYSA-N 0 3 416.482 0.606 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000534101026 1074554979 /nfs/dbraw/zinc/55/49/79/1074554979.db2.gz YRFCRMVHJDYECA-UHFFFAOYSA-N 0 3 413.522 0.703 20 0 HCADHN O=C(CCNS(=O)(=O)c1cccnc1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000534105906 1074549433 /nfs/dbraw/zinc/54/94/33/1074549433.db2.gz OEIFQBGETPQWGH-MSOLQXFVSA-N 0 3 418.519 0.502 20 0 HCADHN O=C(CCNS(=O)(=O)c1cccnc1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000534105907 1074549278 /nfs/dbraw/zinc/54/92/78/1074549278.db2.gz OEIFQBGETPQWGH-QZTJIDSGSA-N 0 3 418.519 0.502 20 0 HCADHN O=C(CCNS(=O)(=O)c1cccnc1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000534105908 1074549363 /nfs/dbraw/zinc/54/93/63/1074549363.db2.gz OEIFQBGETPQWGH-ROUUACIJSA-N 0 3 418.519 0.502 20 0 HCADHN O=C(CCNS(=O)(=O)c1cccnc1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000534105909 1074549164 /nfs/dbraw/zinc/54/91/64/1074549164.db2.gz OEIFQBGETPQWGH-ZWKOTPCHSA-N 0 3 418.519 0.502 20 0 HCADHN Cn1ccnc1N1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000534110357 1074558116 /nfs/dbraw/zinc/55/81/16/1074558116.db2.gz XVUOMZAQTQYXSW-UHFFFAOYSA-N 0 3 404.559 0.693 20 0 HCADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118082 1074560868 /nfs/dbraw/zinc/56/08/68/1074560868.db2.gz MZDCBOCPHAHSOY-AEFFLSMTSA-N 0 3 413.522 0.782 20 0 HCADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118083 1074560729 /nfs/dbraw/zinc/56/07/29/1074560729.db2.gz MZDCBOCPHAHSOY-FUHWJXTLSA-N 0 3 413.522 0.782 20 0 HCADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118084 1074561685 /nfs/dbraw/zinc/56/16/85/1074561685.db2.gz MZDCBOCPHAHSOY-SJLPKXTDSA-N 0 3 413.522 0.782 20 0 HCADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118085 1074562022 /nfs/dbraw/zinc/56/20/22/1074562022.db2.gz MZDCBOCPHAHSOY-WMZOPIPTSA-N 0 3 413.522 0.782 20 0 HCADHN O=C(CN1CCCSCC1)N1CCN(C(=O)CN2CCCSCC2)CC1 ZINC000534128657 1074572458 /nfs/dbraw/zinc/57/24/58/1074572458.db2.gz NHQBJPIXCZUHPB-UHFFFAOYSA-N 0 3 400.614 0.535 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC(S(N)(=O)=O)CC2)CC1 ZINC000534141413 1074570124 /nfs/dbraw/zinc/57/01/24/1074570124.db2.gz HZXNEMZALFIZHL-UHFFFAOYSA-N 0 3 408.568 0.782 20 0 HCADHN NC(=O)c1ccc(NC(=O)CCN2CCC(CS(N)(=O)=O)CC2)cc1Cl ZINC000534141424 1074570030 /nfs/dbraw/zinc/57/00/30/1074570030.db2.gz NAYRMIQEVUUTCC-UHFFFAOYSA-N 0 3 402.904 0.768 20 0 HCADHN Cc1ccccc1-n1nccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000534175196 1074578688 /nfs/dbraw/zinc/57/86/88/1074578688.db2.gz NXWRIKXCUDXIQF-UHFFFAOYSA-N 0 3 424.505 0.886 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2ncccc2F)CC1 ZINC000534178488 1074579439 /nfs/dbraw/zinc/57/94/39/1074579439.db2.gz VKMQGXIDDYXVLY-KRWDZBQOSA-N 0 3 406.506 0.995 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2ncccc2F)CC1 ZINC000534178491 1074579396 /nfs/dbraw/zinc/57/93/96/1074579396.db2.gz VKMQGXIDDYXVLY-QGZVFWFLSA-N 0 3 406.506 0.995 20 0 HCADHN CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000534181226 1074580086 /nfs/dbraw/zinc/58/00/86/1074580086.db2.gz HMDMDAPRGDIQKU-MOPGFXCFSA-N 0 3 404.511 0.018 20 0 HCADHN CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000534181240 1074579802 /nfs/dbraw/zinc/57/98/02/1074579802.db2.gz HMDMDAPRGDIQKU-OALUTQOASA-N 0 3 404.511 0.018 20 0 HCADHN CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000534181243 1074579910 /nfs/dbraw/zinc/57/99/10/1074579910.db2.gz HMDMDAPRGDIQKU-RBUKOAKNSA-N 0 3 404.511 0.018 20 0 HCADHN CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000534181244 1074579856 /nfs/dbraw/zinc/57/98/56/1074579856.db2.gz HMDMDAPRGDIQKU-RTBURBONSA-N 0 3 404.511 0.018 20 0 HCADHN COCCn1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1=O ZINC000534182357 1074580823 /nfs/dbraw/zinc/58/08/23/1074580823.db2.gz OMKPDILVVAENHP-MSOLQXFVSA-N 0 3 400.479 0.503 20 0 HCADHN COCCn1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1=O ZINC000534182358 1074580494 /nfs/dbraw/zinc/58/04/94/1074580494.db2.gz OMKPDILVVAENHP-QZTJIDSGSA-N 0 3 400.479 0.503 20 0 HCADHN COCCn1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1=O ZINC000534182359 1074580771 /nfs/dbraw/zinc/58/07/71/1074580771.db2.gz OMKPDILVVAENHP-ROUUACIJSA-N 0 3 400.479 0.503 20 0 HCADHN COCCn1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1=O ZINC000534182360 1074580545 /nfs/dbraw/zinc/58/05/45/1074580545.db2.gz OMKPDILVVAENHP-ZWKOTPCHSA-N 0 3 400.479 0.503 20 0 HCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000534182654 1074580114 /nfs/dbraw/zinc/58/01/14/1074580114.db2.gz RDDIIGRLFYZFBG-HKUYNNGSSA-N 0 3 409.490 0.873 20 0 HCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000534182657 1074579969 /nfs/dbraw/zinc/57/99/69/1074579969.db2.gz RDDIIGRLFYZFBG-IEBWSBKVSA-N 0 3 409.490 0.873 20 0 HCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000534182659 1074580168 /nfs/dbraw/zinc/58/01/68/1074580168.db2.gz RDDIIGRLFYZFBG-MJGOQNOKSA-N 0 3 409.490 0.873 20 0 HCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000534182661 1074580674 /nfs/dbraw/zinc/58/06/74/1074580674.db2.gz RDDIIGRLFYZFBG-PKOBYXMFSA-N 0 3 409.490 0.873 20 0 HCADHN Cn1ncc2c1ncn(CC(=O)N[C@H]1CCN(Cc3ccccc3)C[C@@H]1CO)c2=O ZINC000534183165 1074580796 /nfs/dbraw/zinc/58/07/96/1074580796.db2.gz AOWKLRVBVOMBQU-AEFFLSMTSA-N 0 3 410.478 0.129 20 0 HCADHN Cn1ncc2c1ncn(CC(=O)N[C@@H]1CCN(Cc3ccccc3)C[C@H]1CO)c2=O ZINC000534183168 1074580709 /nfs/dbraw/zinc/58/07/09/1074580709.db2.gz AOWKLRVBVOMBQU-FUHWJXTLSA-N 0 3 410.478 0.129 20 0 HCADHN Cn1ncc2c1ncn(CC(=O)N[C@@H]1CCN(Cc3ccccc3)C[C@@H]1CO)c2=O ZINC000534183169 1074580605 /nfs/dbraw/zinc/58/06/05/1074580605.db2.gz AOWKLRVBVOMBQU-SJLPKXTDSA-N 0 3 410.478 0.129 20 0 HCADHN Cn1ncc2c1ncn(CC(=O)N[C@H]1CCN(Cc3ccccc3)C[C@H]1CO)c2=O ZINC000534183171 1074580759 /nfs/dbraw/zinc/58/07/59/1074580759.db2.gz AOWKLRVBVOMBQU-WMZOPIPTSA-N 0 3 410.478 0.129 20 0 HCADHN O=C(CSCC(=O)N1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000534183179 1074580692 /nfs/dbraw/zinc/58/06/92/1074580692.db2.gz AQIHXRQVKFDFRW-MOPGFXCFSA-N 0 3 421.563 0.578 20 0 HCADHN O=C(CSCC(=O)N1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000534183189 1074581224 /nfs/dbraw/zinc/58/12/24/1074581224.db2.gz AQIHXRQVKFDFRW-OALUTQOASA-N 0 3 421.563 0.578 20 0 HCADHN O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000534183190 1074581200 /nfs/dbraw/zinc/58/12/00/1074581200.db2.gz AQIHXRQVKFDFRW-RBUKOAKNSA-N 0 3 421.563 0.578 20 0 HCADHN O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000534183191 1074581127 /nfs/dbraw/zinc/58/11/27/1074581127.db2.gz AQIHXRQVKFDFRW-RTBURBONSA-N 0 3 421.563 0.578 20 0 HCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000534189414 1074585043 /nfs/dbraw/zinc/58/50/43/1074585043.db2.gz KDSJEOMXZFIBPK-UHFFFAOYSA-N 0 3 413.478 0.485 20 0 HCADHN CN(CCCN1CCN(C)CC1)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000534217026 1074587943 /nfs/dbraw/zinc/58/79/43/1074587943.db2.gz MQNNHNAAUBXSPR-UHFFFAOYSA-N 0 3 407.544 0.135 20 0 HCADHN CN(CCCn1ccnc1)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000534218959 1074588488 /nfs/dbraw/zinc/58/84/88/1074588488.db2.gz AJVJKAHZTFEEOR-UHFFFAOYSA-N 0 3 423.514 0.877 20 0 HCADHN C[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CCN1CC(F)(F)F ZINC000534223273 1074589359 /nfs/dbraw/zinc/58/93/59/1074589359.db2.gz XOGBMHIWGGALPV-INIZCTEOSA-N 0 3 409.497 0.655 20 0 HCADHN C[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CCN1CC(F)(F)F ZINC000534223274 1074589385 /nfs/dbraw/zinc/58/93/85/1074589385.db2.gz XOGBMHIWGGALPV-MRXNPFEDSA-N 0 3 409.497 0.655 20 0 HCADHN Cc1nn2cc(S(=O)(=O)NCCCCN3CCN(C)CC3)cnc2c1Cl ZINC000534305938 1074596306 /nfs/dbraw/zinc/59/63/06/1074596306.db2.gz WCHJMKRVJRXTPH-UHFFFAOYSA-N 0 3 400.936 0.997 20 0 HCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCCN3CCO[C@H](C)C3)c2)CC1 ZINC000534320944 1074598639 /nfs/dbraw/zinc/59/86/39/1074598639.db2.gz KHASKLMOWSWMPL-GOSISDBHSA-N 0 3 417.554 0.992 20 0 HCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCCN3CCO[C@@H](C)C3)c2)CC1 ZINC000534320945 1074598477 /nfs/dbraw/zinc/59/84/77/1074598477.db2.gz KHASKLMOWSWMPL-SFHVURJKSA-N 0 3 417.554 0.992 20 0 HCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)c2)CC1 ZINC000534327482 1074598896 /nfs/dbraw/zinc/59/88/96/1074598896.db2.gz FINZZSUQLBNYOH-HNNXBMFYSA-N 0 3 410.540 0.705 20 0 HCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)c2)CC1 ZINC000534327486 1074598959 /nfs/dbraw/zinc/59/89/59/1074598959.db2.gz FINZZSUQLBNYOH-OAHLLOKOSA-N 0 3 410.540 0.705 20 0 HCADHN O=C(NC[C@]1(O)CCOC1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000534352899 1074599800 /nfs/dbraw/zinc/59/98/00/1074599800.db2.gz CNXUUSIKBRDODC-DYESRHJHSA-N 0 3 413.478 0.536 20 0 HCADHN O=C(NC[C@]1(O)CCOC1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000534352905 1074600399 /nfs/dbraw/zinc/60/03/99/1074600399.db2.gz CNXUUSIKBRDODC-LAUBAEHRSA-N 0 3 413.478 0.536 20 0 HCADHN O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000534352906 1074600447 /nfs/dbraw/zinc/60/04/47/1074600447.db2.gz CNXUUSIKBRDODC-UTKZUKDTSA-N 0 3 413.478 0.536 20 0 HCADHN O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000534352907 1074600525 /nfs/dbraw/zinc/60/05/25/1074600525.db2.gz CNXUUSIKBRDODC-UWJYYQICSA-N 0 3 413.478 0.536 20 0 HCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000534393131 1074607229 /nfs/dbraw/zinc/60/72/29/1074607229.db2.gz OCYUIKRLNRFNES-UHFFFAOYSA-N 0 3 403.501 0.875 20 0 HCADHN CN(C)CCn1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)ccc1=O ZINC000534400850 1074612451 /nfs/dbraw/zinc/61/24/51/1074612451.db2.gz LIEAMJPIHPRSHJ-UHFFFAOYSA-N 0 3 417.484 0.753 20 0 HCADHN COc1ccc(S(=O)(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1C(=O)N(C)C ZINC000534401271 1074612965 /nfs/dbraw/zinc/61/29/65/1074612965.db2.gz QKLTZSCAEBDBGR-UHFFFAOYSA-N 0 3 422.507 0.921 20 0 HCADHN COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000534401543 1074613114 /nfs/dbraw/zinc/61/31/14/1074613114.db2.gz KCPMYSJVZIZTRZ-UHFFFAOYSA-N 0 3 422.507 0.855 20 0 HCADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)co1 ZINC000534422714 1074622459 /nfs/dbraw/zinc/62/24/59/1074622459.db2.gz QNFSZRZRDKBTRX-IBGZPJMESA-N 0 3 407.492 0.897 20 0 HCADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)co1 ZINC000534422718 1074622541 /nfs/dbraw/zinc/62/25/41/1074622541.db2.gz QNFSZRZRDKBTRX-LJQANCHMSA-N 0 3 407.492 0.897 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)CC1=O ZINC000534449065 1074625072 /nfs/dbraw/zinc/62/50/72/1074625072.db2.gz YFVPSQACQBKDDY-INIZCTEOSA-N 0 3 419.501 0.319 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)CC1=O ZINC000534449066 1074625011 /nfs/dbraw/zinc/62/50/11/1074625011.db2.gz YFVPSQACQBKDDY-MRXNPFEDSA-N 0 3 419.501 0.319 20 0 HCADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(=O)n(CCN(C)C)c1)C2=O ZINC000534489030 1074635974 /nfs/dbraw/zinc/63/59/74/1074635974.db2.gz OABOYEKUGLAHRT-JLTOFOAXSA-N 0 3 403.483 0.849 20 0 HCADHN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(=O)n(CCN(C)C)c1)C2=O ZINC000534489042 1074635815 /nfs/dbraw/zinc/63/58/15/1074635815.db2.gz OABOYEKUGLAHRT-VBKZILBWSA-N 0 3 403.483 0.849 20 0 HCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(=O)n(CCN(C)C)c1)C2=O ZINC000534489047 1074635984 /nfs/dbraw/zinc/63/59/84/1074635984.db2.gz OABOYEKUGLAHRT-VLIAUNLRSA-N 0 3 403.483 0.849 20 0 HCADHN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(=O)n(CCN(C)C)c1)C2=O ZINC000534489050 1074635892 /nfs/dbraw/zinc/63/58/92/1074635892.db2.gz OABOYEKUGLAHRT-XOBRGWDASA-N 0 3 403.483 0.849 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CC1 ZINC000534491815 1074631200 /nfs/dbraw/zinc/63/12/00/1074631200.db2.gz TYGPOTFLQBFBJD-UHFFFAOYSA-N 0 3 402.474 0.763 20 0 HCADHN CN(C)CCn1cc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)ccc1=O ZINC000534492049 1074636769 /nfs/dbraw/zinc/63/67/69/1074636769.db2.gz IPWCLHXFCQUTPJ-UHFFFAOYSA-N 0 3 412.537 0.815 20 0 HCADHN CN(C)CCn1cc(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)ccc1=O ZINC000534492411 1074636247 /nfs/dbraw/zinc/63/62/47/1074636247.db2.gz APSOEUOYYCRTHF-UHFFFAOYSA-N 0 3 400.483 0.918 20 0 HCADHN CCN1CCN(CCCNC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)CC1 ZINC000534507340 1074639077 /nfs/dbraw/zinc/63/90/77/1074639077.db2.gz RBISNQGZRJBIKR-IAGOWNOFSA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(CCCNC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000534507346 1074638991 /nfs/dbraw/zinc/63/89/91/1074638991.db2.gz RBISNQGZRJBIKR-IRXDYDNUSA-N 0 3 407.559 0.877 20 0 HCADHN CCN1CCN(CCCNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000534507347 1074639089 /nfs/dbraw/zinc/63/90/89/1074639089.db2.gz RBISNQGZRJBIKR-UPHUGPLXSA-N 0 3 407.559 0.877 20 0 HCADHN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)ccc1OC ZINC000534516416 1074637329 /nfs/dbraw/zinc/63/73/29/1074637329.db2.gz FNZJLWLFRMYCOU-UHFFFAOYSA-N 0 3 408.480 0.579 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1 ZINC000534517559 1074637822 /nfs/dbraw/zinc/63/78/22/1074637822.db2.gz MWGNGHWZRWSRHD-UHFFFAOYSA-N 0 3 422.507 0.587 20 0 HCADHN CN(C)CCn1cc(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)ccc1=O ZINC000534518692 1074637929 /nfs/dbraw/zinc/63/79/29/1074637929.db2.gz BNZFGRBRMJGGGV-UHFFFAOYSA-N 0 3 403.464 0.713 20 0 HCADHN CN(C)CCn1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)ccc1=O ZINC000534518891 1074637717 /nfs/dbraw/zinc/63/77/17/1074637717.db2.gz IMOLZRBMUMKXBA-UHFFFAOYSA-N 0 3 423.495 0.011 20 0 HCADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)Cc1ccccc1 ZINC000534522345 1074638431 /nfs/dbraw/zinc/63/84/31/1074638431.db2.gz WMZRZORVPYVDQD-GOSISDBHSA-N 0 3 424.505 0.245 20 0 HCADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)Cc1ccccc1 ZINC000534522346 1074638343 /nfs/dbraw/zinc/63/83/43/1074638343.db2.gz WMZRZORVPYVDQD-SFHVURJKSA-N 0 3 424.505 0.245 20 0 HCADHN CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000534524300 1074639035 /nfs/dbraw/zinc/63/90/35/1074639035.db2.gz NAZBCFBJHUFNGD-IBGZPJMESA-N 0 3 403.527 0.539 20 0 HCADHN CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000534524303 1074639056 /nfs/dbraw/zinc/63/90/56/1074639056.db2.gz NAZBCFBJHUFNGD-LJQANCHMSA-N 0 3 403.527 0.539 20 0 HCADHN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000534526175 1074645155 /nfs/dbraw/zinc/64/51/55/1074645155.db2.gz MVFYDFVTGXJJTM-INIZCTEOSA-N 0 3 422.482 0.701 20 0 HCADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000534526176 1074645169 /nfs/dbraw/zinc/64/51/69/1074645169.db2.gz MVFYDFVTGXJJTM-MRXNPFEDSA-N 0 3 422.482 0.701 20 0 HCADHN CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NCCN(C)C)ccc1Cl ZINC000534526608 1074646225 /nfs/dbraw/zinc/64/62/25/1074646225.db2.gz ZQTNZVYREYENML-UHFFFAOYSA-N 0 3 404.920 0.987 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000534528068 1074646935 /nfs/dbraw/zinc/64/69/35/1074646935.db2.gz DJINLQCETZSKEG-IBGZPJMESA-N 0 3 405.543 0.249 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000534528069 1074646874 /nfs/dbraw/zinc/64/68/74/1074646874.db2.gz DJINLQCETZSKEG-LJQANCHMSA-N 0 3 405.543 0.249 20 0 HCADHN CN(C)[C@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000534529316 1074646945 /nfs/dbraw/zinc/64/69/45/1074646945.db2.gz CDTNWRRLNALAEO-FQEVSTJZSA-N 0 3 417.554 0.345 20 0 HCADHN CN(C)[C@@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000534529317 1074646830 /nfs/dbraw/zinc/64/68/30/1074646830.db2.gz CDTNWRRLNALAEO-HXUWFJFHSA-N 0 3 417.554 0.345 20 0 HCADHN Cn1cc([C@H](CO)NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000534537752 1074642641 /nfs/dbraw/zinc/64/26/41/1074642641.db2.gz NDKKEKYDPGHWJH-FQEVSTJZSA-N 0 3 400.527 0.961 20 0 HCADHN Cn1cc([C@@H](CO)NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000534537754 1074642756 /nfs/dbraw/zinc/64/27/56/1074642756.db2.gz NDKKEKYDPGHWJH-HXUWFJFHSA-N 0 3 400.527 0.961 20 0 HCADHN CC(C)n1cnnc1[C@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000534537969 1074642740 /nfs/dbraw/zinc/64/27/40/1074642740.db2.gz QURNAYUQVRGOLP-HNNXBMFYSA-N 0 3 414.514 0.876 20 0 HCADHN CC(C)n1cnnc1[C@@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000534537970 1074642707 /nfs/dbraw/zinc/64/27/07/1074642707.db2.gz QURNAYUQVRGOLP-OAHLLOKOSA-N 0 3 414.514 0.876 20 0 HCADHN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(C(N)=O)CCCC1 ZINC000534580908 1074655846 /nfs/dbraw/zinc/65/58/46/1074655846.db2.gz VKWLOTSEONZAGL-UHFFFAOYSA-N 0 3 411.524 0.816 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)c3ccnc4c(C(N)=O)cnn43)cc2)CC1 ZINC000534586950 1074661015 /nfs/dbraw/zinc/66/10/15/1074661015.db2.gz LXRBIKZERJEQGK-UHFFFAOYSA-N 0 3 421.505 0.896 20 0 HCADHN CCS(=O)(=O)N1CCC(NC(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000534601244 1074659296 /nfs/dbraw/zinc/65/92/96/1074659296.db2.gz GQNFGJKSOUXSOL-UHFFFAOYSA-N 0 3 404.577 0.989 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 ZINC000534624595 1074661414 /nfs/dbraw/zinc/66/14/14/1074661414.db2.gz IFWQKUKNAJVIBG-UHFFFAOYSA-N 0 3 423.477 0.981 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1S(C)(=O)=O ZINC000534626139 1074661329 /nfs/dbraw/zinc/66/13/29/1074661329.db2.gz WQLZHZDTKVQFMU-INIZCTEOSA-N 0 3 411.524 0.906 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1S(C)(=O)=O ZINC000534626140 1074661952 /nfs/dbraw/zinc/66/19/52/1074661952.db2.gz WQLZHZDTKVQFMU-MRXNPFEDSA-N 0 3 411.524 0.906 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C(=O)OC)CC1 ZINC000534628837 1074668349 /nfs/dbraw/zinc/66/83/49/1074668349.db2.gz SYBYBDVNNGYUAI-UHFFFAOYSA-N 0 3 415.487 0.787 20 0 HCADHN COC(=O)c1cc(F)ccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000534631202 1074668229 /nfs/dbraw/zinc/66/82/29/1074668229.db2.gz BLQVAKWDUWMYEF-GFCCVEGCSA-N 0 3 401.460 0.478 20 0 HCADHN COC(=O)c1cc(F)ccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000534631203 1074668367 /nfs/dbraw/zinc/66/83/67/1074668367.db2.gz BLQVAKWDUWMYEF-LBPRGKRZSA-N 0 3 401.460 0.478 20 0 HCADHN CN1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@H]1c1ccccc1 ZINC000534635669 1074668905 /nfs/dbraw/zinc/66/89/05/1074668905.db2.gz BFFAQUHASBCYKB-DLBZAZTESA-N 0 3 407.496 0.839 20 0 HCADHN CN1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@H]1c1ccccc1 ZINC000534635670 1074668926 /nfs/dbraw/zinc/66/89/26/1074668926.db2.gz BFFAQUHASBCYKB-IAGOWNOFSA-N 0 3 407.496 0.839 20 0 HCADHN CN1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H]1c1ccccc1 ZINC000534635671 1074669363 /nfs/dbraw/zinc/66/93/63/1074669363.db2.gz BFFAQUHASBCYKB-IRXDYDNUSA-N 0 3 407.496 0.839 20 0 HCADHN CN1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H]1c1ccccc1 ZINC000534635672 1074669402 /nfs/dbraw/zinc/66/94/02/1074669402.db2.gz BFFAQUHASBCYKB-SJORKVTESA-N 0 3 407.496 0.839 20 0 HCADHN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000534661370 1074670755 /nfs/dbraw/zinc/67/07/55/1074670755.db2.gz GOQCUZAFFLHCOH-NRFANRHFSA-N 0 3 402.539 0.466 20 0 HCADHN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000534661371 1074670824 /nfs/dbraw/zinc/67/08/24/1074670824.db2.gz GOQCUZAFFLHCOH-OAQYLSRUSA-N 0 3 402.539 0.466 20 0 HCADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000534662141 1074670773 /nfs/dbraw/zinc/67/07/73/1074670773.db2.gz HHYKTYWYALEITJ-UHFFFAOYSA-N 0 3 418.585 0.118 20 0 HCADHN CN1C(=O)N(CC(=O)NCCCCN2CCN(CCO)CC2)C(=O)C12CCCCC2 ZINC000534662193 1074670791 /nfs/dbraw/zinc/67/07/91/1074670791.db2.gz IUODVHSPUYJGBV-UHFFFAOYSA-N 0 3 423.558 0.090 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000534663545 1074670868 /nfs/dbraw/zinc/67/08/68/1074670868.db2.gz CPWDKYSDBQVUQV-IBGZPJMESA-N 0 3 406.502 0.685 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000534663546 1074671549 /nfs/dbraw/zinc/67/15/49/1074671549.db2.gz CPWDKYSDBQVUQV-LJQANCHMSA-N 0 3 406.502 0.685 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000534663721 1074671606 /nfs/dbraw/zinc/67/16/06/1074671606.db2.gz NJVXQGPENPXSFG-KRWDZBQOSA-N 0 3 406.502 0.685 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000534663722 1074671648 /nfs/dbraw/zinc/67/16/48/1074671648.db2.gz NJVXQGPENPXSFG-QGZVFWFLSA-N 0 3 406.502 0.685 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(-n2cnnn2)cc1Cl ZINC000534664075 1074671589 /nfs/dbraw/zinc/67/15/89/1074671589.db2.gz BSLPXPIIGSTOEM-UHFFFAOYSA-N 0 3 407.906 0.436 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000534664100 1074671507 /nfs/dbraw/zinc/67/15/07/1074671507.db2.gz CNFPSJMYQYEAFC-INIZCTEOSA-N 0 3 424.492 0.824 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000534664101 1074671621 /nfs/dbraw/zinc/67/16/21/1074671621.db2.gz CNFPSJMYQYEAFC-MRXNPFEDSA-N 0 3 424.492 0.824 20 0 HCADHN O=C(CCN1C(=O)CCc2ccccc21)NCCCCN1CCN(CCO)CC1 ZINC000534664398 1074671569 /nfs/dbraw/zinc/67/15/69/1074671569.db2.gz POMKBCAUZOTWEK-UHFFFAOYSA-N 0 3 402.539 0.862 20 0 HCADHN Cc1c(CC(=O)NCCCCN2CCN(CCO)CC2)nnn1-c1ccccc1 ZINC000534664896 1074672296 /nfs/dbraw/zinc/67/22/96/1074672296.db2.gz DAEFLURFWZQJIH-UHFFFAOYSA-N 0 3 400.527 0.625 20 0 HCADHN C[C@@H]1CN(c2ccc(C(=O)NCCCCN3CCN(CCO)CC3)cn2)C[C@H](C)O1 ZINC000534665109 1074671431 /nfs/dbraw/zinc/67/14/31/1074671431.db2.gz MDYLPDDSJOWMCN-KDURUIRLSA-N 0 3 419.570 0.815 20 0 HCADHN C[C@H]1CN(c2ccc(C(=O)NCCCCN3CCN(CCO)CC3)cn2)C[C@H](C)O1 ZINC000534665110 1074671451 /nfs/dbraw/zinc/67/14/51/1074671451.db2.gz MDYLPDDSJOWMCN-OALUTQOASA-N 0 3 419.570 0.815 20 0 HCADHN C[C@@H]1CN(c2ccc(C(=O)NCCCCN3CCN(CCO)CC3)cn2)C[C@@H](C)O1 ZINC000534665111 1074671539 /nfs/dbraw/zinc/67/15/39/1074671539.db2.gz MDYLPDDSJOWMCN-RTBURBONSA-N 0 3 419.570 0.815 20 0 HCADHN CC(C)S(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000534665197 1074671408 /nfs/dbraw/zinc/67/14/08/1074671408.db2.gz QNZKIZZZNJQZLQ-UHFFFAOYSA-N 0 3 411.568 0.989 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccccc1CN1CCOCC1 ZINC000534665231 1074671489 /nfs/dbraw/zinc/67/14/89/1074671489.db2.gz SOOVEALTDCROKK-UHFFFAOYSA-N 0 3 404.555 0.639 20 0 HCADHN Cc1c(CC(=O)NCCCCN2CCN(CCO)CC2)nnn1-c1ccc(C)cc1 ZINC000534665319 1074671385 /nfs/dbraw/zinc/67/13/85/1074671385.db2.gz XVSRTHJYJBUYSH-UHFFFAOYSA-N 0 3 414.554 0.933 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000534665940 1074672268 /nfs/dbraw/zinc/67/22/68/1074672268.db2.gz SJJDXYOVFZMCOY-INIZCTEOSA-N 0 3 424.492 0.824 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000534665941 1074672206 /nfs/dbraw/zinc/67/22/06/1074672206.db2.gz SJJDXYOVFZMCOY-MRXNPFEDSA-N 0 3 424.492 0.824 20 0 HCADHN CCS(=O)(=O)NCC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000534666615 1074672228 /nfs/dbraw/zinc/67/22/28/1074672228.db2.gz OCNXIXLQDWSUKI-UHFFFAOYSA-N 0 3 424.567 0.413 20 0 HCADHN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCCN1CCN(CCO)CC1 ZINC000534666758 1074672255 /nfs/dbraw/zinc/67/22/55/1074672255.db2.gz USFBROPAVKTHKJ-UHFFFAOYSA-N 0 3 416.526 0.671 20 0 HCADHN CN1CC[C@H](NC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccccc1 ZINC000534682325 1074672780 /nfs/dbraw/zinc/67/27/80/1074672780.db2.gz NYNFODAUCOAGHH-BQFCYCMXSA-N 0 3 408.524 0.424 20 0 HCADHN CN1CC[C@H](NC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccccc1 ZINC000534682326 1074672839 /nfs/dbraw/zinc/67/28/39/1074672839.db2.gz NYNFODAUCOAGHH-RYRKJORJSA-N 0 3 408.524 0.424 20 0 HCADHN CN1CC[C@H](NC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccccc1 ZINC000534682327 1074672736 /nfs/dbraw/zinc/67/27/36/1074672736.db2.gz NYNFODAUCOAGHH-SOLBZPMBSA-N 0 3 408.524 0.424 20 0 HCADHN CN1CC[C@H](NC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccccc1 ZINC000534682328 1074672791 /nfs/dbraw/zinc/67/27/91/1074672791.db2.gz NYNFODAUCOAGHH-XYJFISCASA-N 0 3 408.524 0.424 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000534722016 1074697677 /nfs/dbraw/zinc/69/76/77/1074697677.db2.gz NNMPOQWFSWOOHS-AZUAARDMSA-N 0 3 403.527 0.522 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000534722021 1074697766 /nfs/dbraw/zinc/69/77/66/1074697766.db2.gz NNMPOQWFSWOOHS-ICSRJNTNSA-N 0 3 403.527 0.522 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000534722024 1074697658 /nfs/dbraw/zinc/69/76/58/1074697658.db2.gz NNMPOQWFSWOOHS-QUCCMNQESA-N 0 3 403.527 0.522 20 0 HCADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000534722027 1074697723 /nfs/dbraw/zinc/69/77/23/1074697723.db2.gz NNMPOQWFSWOOHS-UYAOXDASSA-N 0 3 403.527 0.522 20 0 HCADHN C[N@@H+](CCCO)C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000534726372 1074693756 /nfs/dbraw/zinc/69/37/56/1074693756.db2.gz PAVFCNDJFBDUBL-UHFFFAOYSA-N 0 3 403.277 0.017 20 0 HCADHN C[N@H+](CCCO)C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000534726372 1074693739 /nfs/dbraw/zinc/69/37/39/1074693739.db2.gz PAVFCNDJFBDUBL-UHFFFAOYSA-N 0 3 403.277 0.017 20 0 HCADHN COCC1(O)CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000534729704 1074694625 /nfs/dbraw/zinc/69/46/25/1074694625.db2.gz YSUADDGXXGIJNG-UHFFFAOYSA-N 0 3 414.524 0.560 20 0 HCADHN COCC(=O)N(C)CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000534741592 1074698962 /nfs/dbraw/zinc/69/89/62/1074698962.db2.gz OWFOWUAYWPTKLM-GOSISDBHSA-N 0 3 403.527 0.547 20 0 HCADHN COCC(=O)N(C)CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000534741595 1074698947 /nfs/dbraw/zinc/69/89/47/1074698947.db2.gz OWFOWUAYWPTKLM-SFHVURJKSA-N 0 3 403.527 0.547 20 0 HCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534753817 1074698986 /nfs/dbraw/zinc/69/89/86/1074698986.db2.gz DSUBGVLNYZYCBR-APWZRJJASA-N 0 3 410.540 0.382 20 0 HCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534753818 1074698810 /nfs/dbraw/zinc/69/88/10/1074698810.db2.gz DSUBGVLNYZYCBR-LPHOPBHVSA-N 0 3 410.540 0.382 20 0 HCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534753819 1074698899 /nfs/dbraw/zinc/69/88/99/1074698899.db2.gz DSUBGVLNYZYCBR-QFBILLFUSA-N 0 3 410.540 0.382 20 0 HCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534753820 1074698821 /nfs/dbraw/zinc/69/88/21/1074698821.db2.gz DSUBGVLNYZYCBR-VQIMIIECSA-N 0 3 410.540 0.382 20 0 HCADHN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000534756289 1074702205 /nfs/dbraw/zinc/70/22/05/1074702205.db2.gz SIKDOUWRLYUYIK-CRAIPNDOSA-N 0 3 400.479 0.778 20 0 HCADHN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000534756299 1074702114 /nfs/dbraw/zinc/70/21/14/1074702114.db2.gz SIKDOUWRLYUYIK-MAUKXSAKSA-N 0 3 400.479 0.778 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000534790131 1074703867 /nfs/dbraw/zinc/70/38/67/1074703867.db2.gz UCUMSGZSPXTSOD-UHFFFAOYSA-N 0 3 403.527 0.595 20 0 HCADHN COCCNc1nc(N[C@@H]2CCO[C@@H]2C2CC2)nc(N[C@@H]2CCO[C@H]2C2CC2)n1 ZINC000534797805 1074706256 /nfs/dbraw/zinc/70/62/56/1074706256.db2.gz LKUFOHBUAMKXTB-VQHPVUNQSA-N 0 3 404.515 0.154 20 0 HCADHN COCCNc1nc(N[C@@H]2CCO[C@@H]2C2CC2)nc(N[C@H]2CCO[C@H]2C2CC2)n1 ZINC000534797806 1074706339 /nfs/dbraw/zinc/70/63/39/1074706339.db2.gz LKUFOHBUAMKXTB-WNKDZCFJSA-N 0 3 404.515 0.154 20 0 HCADHN COCCNc1nc(N[C@@H]2CCO[C@@H]2C2CC2)nc(N[C@H]2CCO[C@@H]2C2CC2)n1 ZINC000534797807 1074706160 /nfs/dbraw/zinc/70/61/60/1074706160.db2.gz LKUFOHBUAMKXTB-YYIAUSFCSA-N 0 3 404.515 0.154 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000534803606 1074706605 /nfs/dbraw/zinc/70/66/05/1074706605.db2.gz VOTPJVQZHWQTED-UHFFFAOYSA-N 0 3 403.526 0.418 20 0 HCADHN CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(C(=O)OC)CC2)CC1 ZINC000534803833 1074707667 /nfs/dbraw/zinc/70/76/67/1074707667.db2.gz STANWGCTQXSFCF-UHFFFAOYSA-N 0 3 403.545 0.439 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000534804257 1074707769 /nfs/dbraw/zinc/70/77/69/1074707769.db2.gz VONWTGHVEKYTOA-CYBMUJFWSA-N 0 3 417.553 0.806 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000534804258 1074707899 /nfs/dbraw/zinc/70/78/99/1074707899.db2.gz VONWTGHVEKYTOA-ZDUSSCGKSA-N 0 3 417.553 0.806 20 0 HCADHN CS[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C[C@H]1N(C)C ZINC000534827629 1074708724 /nfs/dbraw/zinc/70/87/24/1074708724.db2.gz DHIRGCUCWRDEMH-CVEARBPZSA-N 0 3 413.565 0.825 20 0 HCADHN CS[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C[C@@H]1N(C)C ZINC000534827630 1074708756 /nfs/dbraw/zinc/70/87/56/1074708756.db2.gz DHIRGCUCWRDEMH-HOTGVXAUSA-N 0 3 413.565 0.825 20 0 HCADHN CS[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C[C@H]1N(C)C ZINC000534827631 1074708604 /nfs/dbraw/zinc/70/86/04/1074708604.db2.gz DHIRGCUCWRDEMH-HZPDHXFCSA-N 0 3 413.565 0.825 20 0 HCADHN CS[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C[C@@H]1N(C)C ZINC000534827632 1074708637 /nfs/dbraw/zinc/70/86/37/1074708637.db2.gz DHIRGCUCWRDEMH-JKSUJKDBSA-N 0 3 413.565 0.825 20 0 HCADHN COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000534829164 1074709448 /nfs/dbraw/zinc/70/94/48/1074709448.db2.gz BJLPQRDIZUZUQO-CVEARBPZSA-N 0 3 401.554 0.729 20 0 HCADHN COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000534829168 1074709173 /nfs/dbraw/zinc/70/91/73/1074709173.db2.gz BJLPQRDIZUZUQO-HOTGVXAUSA-N 0 3 401.554 0.729 20 0 HCADHN COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000534829169 1074709395 /nfs/dbraw/zinc/70/93/95/1074709395.db2.gz BJLPQRDIZUZUQO-HZPDHXFCSA-N 0 3 401.554 0.729 20 0 HCADHN COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000534829171 1074709272 /nfs/dbraw/zinc/70/92/72/1074709272.db2.gz BJLPQRDIZUZUQO-JKSUJKDBSA-N 0 3 401.554 0.729 20 0 HCADHN CS[C@H]1CN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)C[C@H]1N(C)C ZINC000534829193 1074709465 /nfs/dbraw/zinc/70/94/65/1074709465.db2.gz CPMKHBCVMYETHT-BDAKNGLRSA-N 0 3 404.422 0.830 20 0 HCADHN CS[C@@H]1CN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)C[C@@H]1N(C)C ZINC000534829194 1074709352 /nfs/dbraw/zinc/70/93/52/1074709352.db2.gz CPMKHBCVMYETHT-DTWKUNHWSA-N 0 3 404.422 0.830 20 0 HCADHN CS[C@H]1CN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)C[C@@H]1N(C)C ZINC000534829195 1074709250 /nfs/dbraw/zinc/70/92/50/1074709250.db2.gz CPMKHBCVMYETHT-IUCAKERBSA-N 0 3 404.422 0.830 20 0 HCADHN CS[C@@H]1CN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)C[C@H]1N(C)C ZINC000534829196 1074709117 /nfs/dbraw/zinc/70/91/17/1074709117.db2.gz CPMKHBCVMYETHT-RKDXNWHRSA-N 0 3 404.422 0.830 20 0 HCADHN C[C@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C[C@H](C)O1 ZINC000534831058 1074710070 /nfs/dbraw/zinc/71/00/70/1074710070.db2.gz BUYRKPVLDHZHBJ-RYUDHWBXSA-N 0 3 416.482 0.604 20 0 HCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C[C@H](C)O1 ZINC000534831059 1074710280 /nfs/dbraw/zinc/71/02/80/1074710280.db2.gz BUYRKPVLDHZHBJ-TXEJJXNPSA-N 0 3 416.482 0.604 20 0 HCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C[C@@H](C)O1 ZINC000534831060 1074710113 /nfs/dbraw/zinc/71/01/13/1074710113.db2.gz BUYRKPVLDHZHBJ-VXGBXAGGSA-N 0 3 416.482 0.604 20 0 HCADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534833102 1074711273 /nfs/dbraw/zinc/71/12/73/1074711273.db2.gz CLRSRHBFNIQHNU-UHFFFAOYSA-N 0 3 409.450 0.586 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534834458 1074712302 /nfs/dbraw/zinc/71/23/02/1074712302.db2.gz VQAFOJIMFQMZMK-HNNXBMFYSA-N 0 3 408.462 0.889 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000534834461 1074712170 /nfs/dbraw/zinc/71/21/70/1074712170.db2.gz VQAFOJIMFQMZMK-OAHLLOKOSA-N 0 3 408.462 0.889 20 0 HCADHN CN(CC(=O)N1CCN(C(=O)CN(C)[C@H]2CCSC2)CC1)[C@H]1CCSC1 ZINC000534835431 1074713373 /nfs/dbraw/zinc/71/33/73/1074713373.db2.gz UWIXCXUTAPIJQX-HOTGVXAUSA-N 0 3 400.614 0.532 20 0 HCADHN CN(CC(=O)N1CCN(C(=O)CN(C)[C@@H]2CCSC2)CC1)[C@@H]1CCSC1 ZINC000534835440 1074713049 /nfs/dbraw/zinc/71/30/49/1074713049.db2.gz UWIXCXUTAPIJQX-HZPDHXFCSA-N 0 3 400.614 0.532 20 0 HCADHN CN(CC(=O)N1CCN(C(=O)CN(C)[C@H]2CCSC2)CC1)[C@@H]1CCSC1 ZINC000534835441 1074713318 /nfs/dbraw/zinc/71/33/18/1074713318.db2.gz UWIXCXUTAPIJQX-IYBDPMFKSA-N 0 3 400.614 0.532 20 0 HCADHN C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)o1 ZINC000534840823 1074722515 /nfs/dbraw/zinc/72/25/15/1074722515.db2.gz GJIFWOYUJVDYJJ-AWEZNQCLSA-N 0 3 402.517 0.318 20 0 HCADHN CN(C)C(=O)CN1CCC(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000534846280 1074715233 /nfs/dbraw/zinc/71/52/33/1074715233.db2.gz LDIOCKSQRDQZRA-PMACEKPBSA-N 0 3 417.554 0.474 20 0 HCADHN CN(C)C(=O)CN1CCC(NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000534846281 1074715848 /nfs/dbraw/zinc/71/58/48/1074715848.db2.gz LDIOCKSQRDQZRA-UXHICEINSA-N 0 3 417.554 0.474 20 0 HCADHN CN(C)C(=O)CN1CCC(NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000534846282 1074716071 /nfs/dbraw/zinc/71/60/71/1074716071.db2.gz LDIOCKSQRDQZRA-VQTJNVASSA-N 0 3 417.554 0.474 20 0 HCADHN CN(C)C(=O)CN1CCC(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000534846283 1074715720 /nfs/dbraw/zinc/71/57/20/1074715720.db2.gz LDIOCKSQRDQZRA-WOJBJXKFSA-N 0 3 417.554 0.474 20 0 HCADHN CN1CCN(C(=O)CCNC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000534849000 1074716663 /nfs/dbraw/zinc/71/66/63/1074716663.db2.gz ZHTFUNORQVPADN-MOPGFXCFSA-N 0 3 403.527 0.085 20 0 HCADHN CN1CCN(C(=O)CCNC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000534849002 1074716428 /nfs/dbraw/zinc/71/64/28/1074716428.db2.gz ZHTFUNORQVPADN-OALUTQOASA-N 0 3 403.527 0.085 20 0 HCADHN CN1CCN(C(=O)CCNC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000534849003 1074716596 /nfs/dbraw/zinc/71/65/96/1074716596.db2.gz ZHTFUNORQVPADN-RBUKOAKNSA-N 0 3 403.527 0.085 20 0 HCADHN CN1CCN(C(=O)CCNC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000534849006 1074716485 /nfs/dbraw/zinc/71/64/85/1074716485.db2.gz ZHTFUNORQVPADN-RTBURBONSA-N 0 3 403.527 0.085 20 0 HCADHN CNC(=O)CN1CCC(NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000534849126 1074716690 /nfs/dbraw/zinc/71/66/90/1074716690.db2.gz WOIJLFMZTDGIHA-MOPGFXCFSA-N 0 3 403.527 0.131 20 0 HCADHN CNC(=O)CN1CCC(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000534849127 1074716544 /nfs/dbraw/zinc/71/65/44/1074716544.db2.gz WOIJLFMZTDGIHA-OALUTQOASA-N 0 3 403.527 0.131 20 0 HCADHN CNC(=O)CN1CCC(NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000534849128 1074716639 /nfs/dbraw/zinc/71/66/39/1074716639.db2.gz WOIJLFMZTDGIHA-RBUKOAKNSA-N 0 3 403.527 0.131 20 0 HCADHN CNC(=O)CN1CCC(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000534849130 1074716317 /nfs/dbraw/zinc/71/63/17/1074716317.db2.gz WOIJLFMZTDGIHA-RTBURBONSA-N 0 3 403.527 0.131 20 0 HCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC3(CC2)NC(=O)N(C)C3=O)c(OC)c1 ZINC000534851825 1074718122 /nfs/dbraw/zinc/71/81/22/1074718122.db2.gz IVBUUFXXWJQQSW-AWEZNQCLSA-N 0 3 421.450 0.238 20 0 HCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCC3(CC2)NC(=O)N(C)C3=O)c(OC)c1 ZINC000534851829 1074718284 /nfs/dbraw/zinc/71/82/84/1074718284.db2.gz IVBUUFXXWJQQSW-CQSZACIVSA-N 0 3 421.450 0.238 20 0 HCADHN CCn1c(=O)c(C(=O)CN(C)CCN2CCCC2)c(N)n(Cc2ccccc2)c1=O ZINC000534856026 1074721452 /nfs/dbraw/zinc/72/14/52/1074721452.db2.gz ARKOUMYFFURHLT-UHFFFAOYSA-N 0 3 413.522 0.871 20 0 HCADHN CC[C@@H]1CN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C[C@@H]1O ZINC000534863875 1074728229 /nfs/dbraw/zinc/72/82/29/1074728229.db2.gz OGTIWHAOTVSPSU-LMMKCTJWSA-N 0 3 409.552 0.919 20 0 HCADHN CC[C@@H]1CN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C[C@@H]1O ZINC000534863876 1074728147 /nfs/dbraw/zinc/72/81/47/1074728147.db2.gz OGTIWHAOTVSPSU-SCTDSRPQSA-N 0 3 409.552 0.919 20 0 HCADHN CC[C@@H]1CN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C[C@H]1O ZINC000534863877 1074728371 /nfs/dbraw/zinc/72/83/71/1074728371.db2.gz OGTIWHAOTVSPSU-YQVWRLOYSA-N 0 3 409.552 0.919 20 0 HCADHN CC[C@@H]1CN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C[C@H]1O ZINC000534863878 1074728254 /nfs/dbraw/zinc/72/82/54/1074728254.db2.gz OGTIWHAOTVSPSU-ZHALLVOQSA-N 0 3 409.552 0.919 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000534909776 1074733839 /nfs/dbraw/zinc/73/38/39/1074733839.db2.gz VDHPHERJUMNNSK-UHFFFAOYSA-N 0 3 413.400 0.806 20 0 HCADHN C[C@]1(CCCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)NC(=O)NC1=O ZINC000534916347 1074731243 /nfs/dbraw/zinc/73/12/43/1074731243.db2.gz CFPGMFQKGLAJCH-CBGDNZLLSA-N 0 3 402.495 0.754 20 0 HCADHN C[C@]1(CCCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)NC(=O)NC1=O ZINC000534916349 1074731159 /nfs/dbraw/zinc/73/11/59/1074731159.db2.gz CFPGMFQKGLAJCH-LLGFUMIMSA-N 0 3 402.495 0.754 20 0 HCADHN C[C@]1(CCCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)NC(=O)NC1=O ZINC000534916350 1074731139 /nfs/dbraw/zinc/73/11/39/1074731139.db2.gz CFPGMFQKGLAJCH-XGHQBKJUSA-N 0 3 402.495 0.754 20 0 HCADHN CN1CC(=O)N(CCCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1=O ZINC000534917301 1074731559 /nfs/dbraw/zinc/73/15/59/1074731559.db2.gz KQJCJVVXIYLWTD-MSOLQXFVSA-N 0 3 402.495 0.660 20 0 HCADHN CN1CC(=O)N(CCCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1=O ZINC000534917302 1074731481 /nfs/dbraw/zinc/73/14/81/1074731481.db2.gz KQJCJVVXIYLWTD-QZTJIDSGSA-N 0 3 402.495 0.660 20 0 HCADHN CN1CC(=O)N(CCCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1=O ZINC000534917303 1074731699 /nfs/dbraw/zinc/73/16/99/1074731699.db2.gz KQJCJVVXIYLWTD-ROUUACIJSA-N 0 3 402.495 0.660 20 0 HCADHN CN1CC(=O)N(CCCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1=O ZINC000534917304 1074731670 /nfs/dbraw/zinc/73/16/70/1074731670.db2.gz KQJCJVVXIYLWTD-ZWKOTPCHSA-N 0 3 402.495 0.660 20 0 HCADHN Cc1nnc(CN(C)CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1C ZINC000534918184 1074731528 /nfs/dbraw/zinc/73/15/28/1074731528.db2.gz XXPXSPCCSXDRTE-MOPGFXCFSA-N 0 3 400.527 0.555 20 0 HCADHN Cc1nnc(CN(C)CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1C ZINC000534918185 1074731751 /nfs/dbraw/zinc/73/17/51/1074731751.db2.gz XXPXSPCCSXDRTE-OALUTQOASA-N 0 3 400.527 0.555 20 0 HCADHN Cc1nnc(CN(C)CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1C ZINC000534918186 1074731719 /nfs/dbraw/zinc/73/17/19/1074731719.db2.gz XXPXSPCCSXDRTE-RBUKOAKNSA-N 0 3 400.527 0.555 20 0 HCADHN Cc1nnc(CN(C)CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1C ZINC000534918187 1074731454 /nfs/dbraw/zinc/73/14/54/1074731454.db2.gz XXPXSPCCSXDRTE-RTBURBONSA-N 0 3 400.527 0.555 20 0 HCADHN C[C@H](C(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)n1cccn1 ZINC000534919391 1074735208 /nfs/dbraw/zinc/73/52/08/1074735208.db2.gz YDNCOPDLYNLMSC-HOJAQTOUSA-N 0 3 413.522 0.902 20 0 HCADHN C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)n1cccn1 ZINC000534919392 1074735361 /nfs/dbraw/zinc/73/53/61/1074735361.db2.gz YDNCOPDLYNLMSC-MISYRCLQSA-N 0 3 413.522 0.902 20 0 HCADHN C[C@H](C(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)n1cccn1 ZINC000534919393 1074735563 /nfs/dbraw/zinc/73/55/63/1074735563.db2.gz YDNCOPDLYNLMSC-RLLQIKCJSA-N 0 3 413.522 0.902 20 0 HCADHN C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)n1cccn1 ZINC000534919394 1074735526 /nfs/dbraw/zinc/73/55/26/1074735526.db2.gz YDNCOPDLYNLMSC-YZGWKJHDSA-N 0 3 413.522 0.902 20 0 HCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000534925570 1074736556 /nfs/dbraw/zinc/73/65/56/1074736556.db2.gz RBAZPABLQZRUAH-UHFFFAOYSA-N 0 3 413.478 0.335 20 0 HCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N(CCN(C)C)Cc2cccc(O)c2)c1 ZINC000534928513 1074736823 /nfs/dbraw/zinc/73/68/23/1074736823.db2.gz OCBLFXWCAYIIQR-UHFFFAOYSA-N 0 3 424.523 0.849 20 0 HCADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n(-c2ccccc2)n1 ZINC000534929715 1074736953 /nfs/dbraw/zinc/73/69/53/1074736953.db2.gz BUENJYOZJPLDOA-GOSISDBHSA-N 0 3 424.505 0.884 20 0 HCADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n(-c2ccccc2)n1 ZINC000534929722 1074736883 /nfs/dbraw/zinc/73/68/83/1074736883.db2.gz BUENJYOZJPLDOA-SFHVURJKSA-N 0 3 424.505 0.884 20 0 HCADHN CN(CCCN1CCN(C)CC1)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000534954120 1074740431 /nfs/dbraw/zinc/74/04/31/1074740431.db2.gz DAPDNURXLJPCBI-IBGZPJMESA-N 0 3 414.616 0.514 20 0 HCADHN CN(CCCN1CCN(C)CC1)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000534954121 1074740520 /nfs/dbraw/zinc/74/05/20/1074740520.db2.gz DAPDNURXLJPCBI-LJQANCHMSA-N 0 3 414.616 0.514 20 0 HCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@H]1N(C)C ZINC000535000524 1074744147 /nfs/dbraw/zinc/74/41/47/1074744147.db2.gz BQQWVSSZCOTGMW-CABCVRRESA-N 0 3 418.610 0.870 20 0 HCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@@H]1N(C)C ZINC000535000525 1074744004 /nfs/dbraw/zinc/74/40/04/1074744004.db2.gz BQQWVSSZCOTGMW-GJZGRUSLSA-N 0 3 418.610 0.870 20 0 HCADHN CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@H]1N(C)C ZINC000535000526 1074743943 /nfs/dbraw/zinc/74/39/43/1074743943.db2.gz BQQWVSSZCOTGMW-HUUCEWRRSA-N 0 3 418.610 0.870 20 0 HCADHN CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@@H]1N(C)C ZINC000535000527 1074744565 /nfs/dbraw/zinc/74/45/65/1074744565.db2.gz BQQWVSSZCOTGMW-LSDHHAIUSA-N 0 3 418.610 0.870 20 0 HCADHN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1F ZINC000535013991 1074746666 /nfs/dbraw/zinc/74/66/66/1074746666.db2.gz 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ZINC000535263945 1074774733 /nfs/dbraw/zinc/77/47/33/1074774733.db2.gz CKEZKULSXZLWPH-INIZCTEOSA-N 0 3 408.524 0.842 20 0 HCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000535263954 1074774603 /nfs/dbraw/zinc/77/46/03/1074774603.db2.gz CKEZKULSXZLWPH-MRXNPFEDSA-N 0 3 408.524 0.842 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2)CC1 ZINC000535268974 1074775733 /nfs/dbraw/zinc/77/57/33/1074775733.db2.gz HBRGCKIDLAIESI-GOSISDBHSA-N 0 3 424.505 0.635 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2)CC1 ZINC000535268981 1074775779 /nfs/dbraw/zinc/77/57/79/1074775779.db2.gz HBRGCKIDLAIESI-SFHVURJKSA-N 0 3 424.505 0.635 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H](CO)CC(F)(F)F)cc21 ZINC000535276703 1074780538 /nfs/dbraw/zinc/78/05/38/1074780538.db2.gz KGWZPBAYUAGWNK-LLVKDONJSA-N 0 3 418.372 0.524 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H](CO)CC(F)(F)F)cc21 ZINC000535276715 1074780763 /nfs/dbraw/zinc/78/07/63/1074780763.db2.gz KGWZPBAYUAGWNK-NSHDSACASA-N 0 3 418.372 0.524 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(OCCO)CC3)cc2)CC1 ZINC000535278645 1074780904 /nfs/dbraw/zinc/78/09/04/1074780904.db2.gz VNTSFDPNUXGCMB-UHFFFAOYSA-N 0 3 418.538 0.763 20 0 HCADHN COc1cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)ccc1S(=O)(=O)N(C)C ZINC000535283149 1074777642 /nfs/dbraw/zinc/77/76/42/1074777642.db2.gz GWGSLQAEMIEPGE-CYBMUJFWSA-N 0 3 412.512 0.342 20 0 HCADHN COc1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)ccc1S(=O)(=O)N(C)C ZINC000535283153 1074777721 /nfs/dbraw/zinc/77/77/21/1074777721.db2.gz GWGSLQAEMIEPGE-ZDUSSCGKSA-N 0 3 412.512 0.342 20 0 HCADHN COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1S(=O)(=O)N(C)C ZINC000535286239 1074778222 /nfs/dbraw/zinc/77/82/22/1074778222.db2.gz FYVRIYOKCXIVGD-CABCVRRESA-N 0 3 424.523 0.579 20 0 HCADHN O[C@@H](COc1ccccc1)CN1CCN(C[C@H](O)COc2ccccc2)C[C@H](O)C1 ZINC000535315351 1074786693 /nfs/dbraw/zinc/78/66/93/1074786693.db2.gz VELVTFPWVMEGJP-MZADTFQBSA-N 0 3 416.518 0.845 20 0 HCADHN O[C@@H](COc1ccccc1)CN1CCN(C[C@@H](O)COc2ccccc2)CC(O)C1 ZINC000535315362 1074787217 /nfs/dbraw/zinc/78/72/17/1074787217.db2.gz VELVTFPWVMEGJP-NHCUHLMSSA-N 0 3 416.518 0.845 20 0 HCADHN O[C@H](COc1ccccc1)CN1CCN(C[C@H](O)COc2ccccc2)CC(O)C1 ZINC000535315363 1074787111 /nfs/dbraw/zinc/78/71/11/1074787111.db2.gz VELVTFPWVMEGJP-SFTDATJTSA-N 0 3 416.518 0.845 20 0 HCADHN C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1)[C@H]1CCSC1 ZINC000535317109 1074787084 /nfs/dbraw/zinc/78/70/84/1074787084.db2.gz CEBPFLOLACHSPB-AWEZNQCLSA-N 0 3 423.564 0.833 20 0 HCADHN C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1)[C@H]1CCSC1 ZINC000535317109 1074787079 /nfs/dbraw/zinc/78/70/79/1074787079.db2.gz CEBPFLOLACHSPB-AWEZNQCLSA-N 0 3 423.564 0.833 20 0 HCADHN C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1)[C@@H]1CCSC1 ZINC000535317138 1074787161 /nfs/dbraw/zinc/78/71/61/1074787161.db2.gz CEBPFLOLACHSPB-CQSZACIVSA-N 0 3 423.564 0.833 20 0 HCADHN C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1)[C@@H]1CCSC1 ZINC000535317138 1074787153 /nfs/dbraw/zinc/78/71/53/1074787153.db2.gz CEBPFLOLACHSPB-CQSZACIVSA-N 0 3 423.564 0.833 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)c3ccnc4c(C(N)=O)cnn43)ccc2oc1=O ZINC000535317793 1074788132 /nfs/dbraw/zinc/78/81/32/1074788132.db2.gz KWEYDTPKSSQGJN-UHFFFAOYSA-N 0 3 409.406 0.550 20 0 HCADHN CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000535319359 1074784182 /nfs/dbraw/zinc/78/41/82/1074784182.db2.gz DKEYUTNXNSMAGU-HNNXBMFYSA-N 0 3 402.499 0.909 20 0 HCADHN CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000535319360 1074784365 /nfs/dbraw/zinc/78/43/65/1074784365.db2.gz DKEYUTNXNSMAGU-OAHLLOKOSA-N 0 3 402.499 0.909 20 0 HCADHN COCCN1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)C1 ZINC000535328137 1074785463 /nfs/dbraw/zinc/78/54/63/1074785463.db2.gz SLRGQXSCDRDONB-AWEZNQCLSA-N 0 3 400.501 0.788 20 0 HCADHN COCCN1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)C1 ZINC000535328138 1074785598 /nfs/dbraw/zinc/78/55/98/1074785598.db2.gz SLRGQXSCDRDONB-CQSZACIVSA-N 0 3 400.501 0.788 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000535329793 1074785945 /nfs/dbraw/zinc/78/59/45/1074785945.db2.gz MAPRCLLCTFWBPG-INIZCTEOSA-N 0 3 403.593 0.373 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000535329799 1074785922 /nfs/dbraw/zinc/78/59/22/1074785922.db2.gz MAPRCLLCTFWBPG-MRXNPFEDSA-N 0 3 403.593 0.373 20 0 HCADHN OCCCN1CCN(c2nc3ccccc3c(N3CCN(CCCO)CC3)n2)CC1 ZINC000535331048 1074786299 /nfs/dbraw/zinc/78/62/99/1074786299.db2.gz BCXVVRHSQATQFY-UHFFFAOYSA-N 0 3 414.554 0.639 20 0 HCADHN COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000535332344 1074786779 /nfs/dbraw/zinc/78/67/79/1074786779.db2.gz OILQFIYVQUIJID-HNNXBMFYSA-N 0 3 413.471 0.539 20 0 HCADHN COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000535332361 1074786712 /nfs/dbraw/zinc/78/67/12/1074786712.db2.gz OILQFIYVQUIJID-OAHLLOKOSA-N 0 3 413.471 0.539 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000535353390 1074795120 /nfs/dbraw/zinc/79/51/20/1074795120.db2.gz FZTFTHATVHKWMT-UHFFFAOYSA-N 0 3 422.869 0.774 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000535356292 1074795528 /nfs/dbraw/zinc/79/55/28/1074795528.db2.gz SAGFOOQASIBMNN-UHFFFAOYSA-N 0 3 402.451 0.163 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000535356447 1074792497 /nfs/dbraw/zinc/79/24/97/1074792497.db2.gz SZFAURMXIKDLOF-HNNXBMFYSA-N 0 3 404.467 0.455 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000535356454 1074792476 /nfs/dbraw/zinc/79/24/76/1074792476.db2.gz SZFAURMXIKDLOF-OAHLLOKOSA-N 0 3 404.467 0.455 20 0 HCADHN COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)oc1C ZINC000535360293 1074792849 /nfs/dbraw/zinc/79/28/49/1074792849.db2.gz CDPVNVBEHODUMF-AWEZNQCLSA-N 0 3 403.501 0.745 20 0 HCADHN COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535372394 1074795154 /nfs/dbraw/zinc/79/51/54/1074795154.db2.gz PQHVYUIOEBYPMI-HNNXBMFYSA-N 0 3 417.503 0.983 20 0 HCADHN COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000535373314 1074794721 /nfs/dbraw/zinc/79/47/21/1074794721.db2.gz UMMBTCLCKNSOAG-LBPRGKRZSA-N 0 3 405.542 0.906 20 0 HCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCCCCN1CCN(CCO)CC1 ZINC000535378880 1074796365 /nfs/dbraw/zinc/79/63/65/1074796365.db2.gz FTSZEVCJSNBYDQ-UHFFFAOYSA-N 0 3 418.542 0.340 20 0 HCADHN CCc1ccc(S(C)(=O)=O)cc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000535379128 1074796332 /nfs/dbraw/zinc/79/63/32/1074796332.db2.gz QYBIYFBZWIDJNJ-UHFFFAOYSA-N 0 3 411.568 0.772 20 0 HCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000535379475 1074796687 /nfs/dbraw/zinc/79/66/87/1074796687.db2.gz LEJQOVRGWSYXJD-GOSISDBHSA-N 0 3 418.604 0.087 20 0 HCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000535379476 1074796609 /nfs/dbraw/zinc/79/66/09/1074796609.db2.gz LEJQOVRGWSYXJD-SFHVURJKSA-N 0 3 418.604 0.087 20 0 HCADHN Cc1ccc2c(c1)C(=O)N(CC(=O)NCCCCN1CCN(CCO)CC1)C2=O ZINC000535380394 1074797174 /nfs/dbraw/zinc/79/71/74/1074797174.db2.gz LQIVJFSBJGIGGV-UHFFFAOYSA-N 0 3 402.495 0.097 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H](c1ccccc1F)N1CCOCC1 ZINC000535380789 1074797022 /nfs/dbraw/zinc/79/70/22/1074797022.db2.gz GESQFLBRWRIJJJ-NRFANRHFSA-N 0 3 422.545 0.705 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000535380790 1074797047 /nfs/dbraw/zinc/79/70/47/1074797047.db2.gz GESQFLBRWRIJJJ-OAQYLSRUSA-N 0 3 422.545 0.705 20 0 HCADHN NC(=O)c1cn(CC(=O)NCCCCN2CCN(CCO)CC2)c2ccccc12 ZINC000535380848 1074797153 /nfs/dbraw/zinc/79/71/53/1074797153.db2.gz IULRPLQTJJAANV-UHFFFAOYSA-N 0 3 401.511 0.247 20 0 HCADHN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000535380891 1074797091 /nfs/dbraw/zinc/79/70/91/1074797091.db2.gz KSVKOBKATWUEGL-INIZCTEOSA-N 0 3 410.946 0.965 20 0 HCADHN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000535380892 1074796974 /nfs/dbraw/zinc/79/69/74/1074796974.db2.gz KSVKOBKATWUEGL-MRXNPFEDSA-N 0 3 410.946 0.965 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000535381069 1074797292 /nfs/dbraw/zinc/79/72/92/1074797292.db2.gz SWRVFSDSVUEQOO-KRWDZBQOSA-N 0 3 424.492 0.824 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000535381070 1074797268 /nfs/dbraw/zinc/79/72/68/1074797268.db2.gz SWRVFSDSVUEQOO-QGZVFWFLSA-N 0 3 424.492 0.824 20 0 HCADHN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000535381234 1074796994 /nfs/dbraw/zinc/79/69/94/1074796994.db2.gz AVKPGZUYYGMSPR-IBGZPJMESA-N 0 3 422.595 0.788 20 0 HCADHN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000535381235 1074797129 /nfs/dbraw/zinc/79/71/29/1074797129.db2.gz AVKPGZUYYGMSPR-LJQANCHMSA-N 0 3 422.595 0.788 20 0 HCADHN CN(C)S(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000535381459 1074797316 /nfs/dbraw/zinc/79/73/16/1074797316.db2.gz KVQPDWZRAVSWQX-UHFFFAOYSA-N 0 3 412.556 0.057 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cc(Cl)ccc1-n1cnnn1 ZINC000535381915 1074797502 /nfs/dbraw/zinc/79/75/02/1074797502.db2.gz GFWUZABPHOBEGE-UHFFFAOYSA-N 0 3 407.906 0.436 20 0 HCADHN Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCCN2CCN(CCO)CC2)[nH]n1 ZINC000535382100 1074797726 /nfs/dbraw/zinc/79/77/26/1074797726.db2.gz OXCUZBHORRXTQE-UHFFFAOYSA-N 0 3 403.531 0.547 20 0 HCADHN O=C(COc1ccc2c(c1)CCC(=O)N2)NCCCCN1CCN(CCO)CC1 ZINC000535382325 1074797698 /nfs/dbraw/zinc/79/76/98/1074797698.db2.gz YUTGRLUNPXFEPM-UHFFFAOYSA-N 0 3 404.511 0.456 20 0 HCADHN COCC(=O)N(C)CC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000535382639 1074797748 /nfs/dbraw/zinc/79/77/48/1074797748.db2.gz NWJCZHHONHUQRP-UHFFFAOYSA-N 0 3 418.538 0.578 20 0 HCADHN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(C)(CO)CO ZINC000535387081 1074798058 /nfs/dbraw/zinc/79/80/58/1074798058.db2.gz YTKQJACIWGFBBX-UHFFFAOYSA-N 0 3 402.513 0.009 20 0 HCADHN CN1CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000535394855 1074801216 /nfs/dbraw/zinc/80/12/16/1074801216.db2.gz SLNUKPMYSLHMLV-MOPGFXCFSA-N 0 3 413.522 0.908 20 0 HCADHN CN1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000535394856 1074801112 /nfs/dbraw/zinc/80/11/12/1074801112.db2.gz SLNUKPMYSLHMLV-OALUTQOASA-N 0 3 413.522 0.908 20 0 HCADHN CN1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000535394857 1074801289 /nfs/dbraw/zinc/80/12/89/1074801289.db2.gz SLNUKPMYSLHMLV-RBUKOAKNSA-N 0 3 413.522 0.908 20 0 HCADHN CN1CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000535394858 1074801248 /nfs/dbraw/zinc/80/12/48/1074801248.db2.gz SLNUKPMYSLHMLV-RTBURBONSA-N 0 3 413.522 0.908 20 0 HCADHN CC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C ZINC000535401405 1074799808 /nfs/dbraw/zinc/79/98/08/1074799808.db2.gz DEEYRLCVWJVASE-GOSISDBHSA-N 0 3 400.479 0.901 20 0 HCADHN CC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C ZINC000535401406 1074799750 /nfs/dbraw/zinc/79/97/50/1074799750.db2.gz DEEYRLCVWJVASE-SFHVURJKSA-N 0 3 400.479 0.901 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 ZINC000535410385 1074802726 /nfs/dbraw/zinc/80/27/26/1074802726.db2.gz WMVUDLZMCOANDU-UHFFFAOYSA-N 0 3 422.493 0.508 20 0 HCADHN Cc1cnc(CCNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)nc1 ZINC000535410871 1074802785 /nfs/dbraw/zinc/80/27/85/1074802785.db2.gz YBZLSLBDIGQSIQ-UHFFFAOYSA-N 0 3 412.450 0.552 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000535413044 1074803078 /nfs/dbraw/zinc/80/30/78/1074803078.db2.gz PCBFHAWCAUMVPM-MSOLQXFVSA-N 0 3 401.511 0.810 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000535413045 1074803183 /nfs/dbraw/zinc/80/31/83/1074803183.db2.gz PCBFHAWCAUMVPM-QZTJIDSGSA-N 0 3 401.511 0.810 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000535413046 1074803556 /nfs/dbraw/zinc/80/35/56/1074803556.db2.gz PCBFHAWCAUMVPM-ROUUACIJSA-N 0 3 401.511 0.810 20 0 HCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000535413047 1074803456 /nfs/dbraw/zinc/80/34/56/1074803456.db2.gz PCBFHAWCAUMVPM-ZWKOTPCHSA-N 0 3 401.511 0.810 20 0 HCADHN CN1C(=O)C[C@@H](C(=O)NCCCCN2CCN(CCO)CC2)[C@@H]1c1ccc(F)cc1 ZINC000535424682 1074801952 /nfs/dbraw/zinc/80/19/52/1074801952.db2.gz WJSUIMFUHQIPBE-CTNGQTDRSA-N 0 3 420.529 0.851 20 0 HCADHN CN1C(=O)C[C@H](C(=O)NCCCCN2CCN(CCO)CC2)[C@@H]1c1ccc(F)cc1 ZINC000535424683 1074802043 /nfs/dbraw/zinc/80/20/43/1074802043.db2.gz WJSUIMFUHQIPBE-FPOVZHCZSA-N 0 3 420.529 0.851 20 0 HCADHN CN1C(=O)C[C@H](C(=O)NCCCCN2CCN(CCO)CC2)[C@H]1c1ccc(F)cc1 ZINC000535424684 1074802051 /nfs/dbraw/zinc/80/20/51/1074802051.db2.gz WJSUIMFUHQIPBE-PZJWPPBQSA-N 0 3 420.529 0.851 20 0 HCADHN CN1C(=O)C[C@@H](C(=O)NCCCCN2CCN(CCO)CC2)[C@H]1c1ccc(F)cc1 ZINC000535424685 1074801940 /nfs/dbraw/zinc/80/19/40/1074801940.db2.gz WJSUIMFUHQIPBE-TZIWHRDSSA-N 0 3 420.529 0.851 20 0 HCADHN CCc1nc(C(=O)NCCCCN2CCN(CCO)CC2)nn1-c1ccccc1 ZINC000535430926 1074804647 /nfs/dbraw/zinc/80/46/47/1074804647.db2.gz JEPBHWMVTFVVMP-UHFFFAOYSA-N 0 3 400.527 0.950 20 0 HCADHN CN1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000535435061 1074804978 /nfs/dbraw/zinc/80/49/78/1074804978.db2.gz GFRYPRHODBBHJO-CTNGQTDRSA-N 0 3 415.538 0.618 20 0 HCADHN CN1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000535435077 1074804902 /nfs/dbraw/zinc/80/49/02/1074804902.db2.gz GFRYPRHODBBHJO-FPOVZHCZSA-N 0 3 415.538 0.618 20 0 HCADHN CN1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@H]1c1ccccc1 ZINC000535435079 1074804870 /nfs/dbraw/zinc/80/48/70/1074804870.db2.gz GFRYPRHODBBHJO-PZJWPPBQSA-N 0 3 415.538 0.618 20 0 HCADHN CN1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@H]1c1ccccc1 ZINC000535435084 1074805338 /nfs/dbraw/zinc/80/53/38/1074805338.db2.gz GFRYPRHODBBHJO-TZIWHRDSSA-N 0 3 415.538 0.618 20 0 HCADHN CN1CC[C@H](NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1ccccc1 ZINC000535470393 1074809451 /nfs/dbraw/zinc/80/94/51/1074809451.db2.gz UHGXGSXQWAZEBQ-DOTOQJQBSA-N 0 3 410.478 0.385 20 0 HCADHN CN1CC[C@@H](NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1c1ccccc1 ZINC000535470394 1074809421 /nfs/dbraw/zinc/80/94/21/1074809421.db2.gz UHGXGSXQWAZEBQ-NVXWUHKLSA-N 0 3 410.478 0.385 20 0 HCADHN CN1CC[C@H](NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1ccccc1 ZINC000535470395 1074809399 /nfs/dbraw/zinc/80/93/99/1074809399.db2.gz UHGXGSXQWAZEBQ-RDJZCZTQSA-N 0 3 410.478 0.385 20 0 HCADHN CN1CC[C@@H](NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1c1ccccc1 ZINC000535470396 1074809776 /nfs/dbraw/zinc/80/97/76/1074809776.db2.gz UHGXGSXQWAZEBQ-WBVHZDCISA-N 0 3 410.478 0.385 20 0 HCADHN Cc1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1S(C)(=O)=O ZINC000535483119 1074809434 /nfs/dbraw/zinc/80/94/34/1074809434.db2.gz DLXOOTWUOBZGFG-UHFFFAOYSA-N 0 3 412.556 0.910 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000535512684 1074812558 /nfs/dbraw/zinc/81/25/58/1074812558.db2.gz ADMSGYHQSHNYIX-UHFFFAOYSA-N 0 3 412.556 0.713 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000535516519 1074812895 /nfs/dbraw/zinc/81/28/95/1074812895.db2.gz SWBNEGUQKNSBTL-GOSISDBHSA-N 0 3 415.490 0.897 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000535516524 1074812768 /nfs/dbraw/zinc/81/27/68/1074812768.db2.gz SWBNEGUQKNSBTL-SFHVURJKSA-N 0 3 415.490 0.897 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@](C)(O)C(F)(F)F)cc21 ZINC000535553736 1074822789 /nfs/dbraw/zinc/82/27/89/1074822789.db2.gz HIVUMKJDNNGMGO-INIZCTEOSA-N 0 3 418.372 0.524 20 0 HCADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cn1C ZINC000535559822 1074821679 /nfs/dbraw/zinc/82/16/79/1074821679.db2.gz RYHKJVVWIWROCC-APWZRJJASA-N 0 3 405.524 0.959 20 0 HCADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cn1C ZINC000535559829 1074821808 /nfs/dbraw/zinc/82/18/08/1074821808.db2.gz RYHKJVVWIWROCC-LPHOPBHVSA-N 0 3 405.524 0.959 20 0 HCADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cn1C ZINC000535559838 1074821699 /nfs/dbraw/zinc/82/16/99/1074821699.db2.gz RYHKJVVWIWROCC-VQIMIIECSA-N 0 3 405.524 0.959 20 0 HCADHN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000535571549 1075095616 /nfs/dbraw/zinc/09/56/16/1075095616.db2.gz OWKKUTQOYOQYAO-MOPGFXCFSA-N 0 3 420.473 0.957 20 0 HCADHN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000535571550 1075095623 /nfs/dbraw/zinc/09/56/23/1075095623.db2.gz OWKKUTQOYOQYAO-OALUTQOASA-N 0 3 420.473 0.957 20 0 HCADHN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000535571551 1075095596 /nfs/dbraw/zinc/09/55/96/1075095596.db2.gz OWKKUTQOYOQYAO-RBUKOAKNSA-N 0 3 420.473 0.957 20 0 HCADHN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000535571552 1075095549 /nfs/dbraw/zinc/09/55/49/1075095549.db2.gz OWKKUTQOYOQYAO-RTBURBONSA-N 0 3 420.473 0.957 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)Cc2ccccc2C1 ZINC000535571645 1075095490 /nfs/dbraw/zinc/09/54/90/1075095490.db2.gz UDINMYKQHAKNMN-UHFFFAOYSA-N 0 3 420.473 0.816 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(OC)c1 ZINC000535581909 1075305313 /nfs/dbraw/zinc/30/53/13/1075305313.db2.gz MZYNEHZAGLESTA-HNNXBMFYSA-N 0 3 409.530 0.048 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(OC)c1 ZINC000535581916 1075305397 /nfs/dbraw/zinc/30/53/97/1075305397.db2.gz MZYNEHZAGLESTA-OAHLLOKOSA-N 0 3 409.530 0.048 20 0 HCADHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000538083153 1078136839 /nfs/dbraw/zinc/13/68/39/1078136839.db2.gz SCUWJNNYLVQOAD-GDBMZVCRSA-N 0 3 400.479 0.821 20 0 HCADHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000538083154 1078136900 /nfs/dbraw/zinc/13/69/00/1078136900.db2.gz SCUWJNNYLVQOAD-GOEBONIOSA-N 0 3 400.479 0.821 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)c3nc(C)n(-c4nc[nH]n4)n3)cc2)CC1 ZINC000539415379 1075317370 /nfs/dbraw/zinc/31/73/70/1075317370.db2.gz IDZIJDDELGULTE-UHFFFAOYSA-N 0 3 409.498 0.761 20 0 HCADHN Cc1ccc(CN2CCCN(C(=O)CN3CCN(C(C)(C)C(N)=O)CC3)CC2)cc1 ZINC000539449996 1075326309 /nfs/dbraw/zinc/32/63/09/1075326309.db2.gz CVPMJASBTSTPDP-UHFFFAOYSA-N 0 3 415.582 0.911 20 0 HCADHN NS(=O)(=O)c1cnn(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000539473134 1075337113 /nfs/dbraw/zinc/33/71/13/1075337113.db2.gz CDXVSHJAHHBXFF-UHFFFAOYSA-N 0 3 409.537 0.761 20 0 HCADHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000539477986 1075341202 /nfs/dbraw/zinc/34/12/02/1075341202.db2.gz VTFIGWVGZPJCRG-UHFFFAOYSA-N 0 3 416.526 0.350 20 0 HCADHN CC[C@H](C)n1nc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1C ZINC000539480111 1075342227 /nfs/dbraw/zinc/34/22/27/1075342227.db2.gz KSJAZBZYKVXBFB-HNNXBMFYSA-N 0 3 404.515 0.868 20 0 HCADHN CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1C ZINC000539480116 1075342209 /nfs/dbraw/zinc/34/22/09/1075342209.db2.gz KSJAZBZYKVXBFB-OAHLLOKOSA-N 0 3 404.515 0.868 20 0 HCADHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000539483442 1075343930 /nfs/dbraw/zinc/34/39/30/1075343930.db2.gz MWLFVZOGMHUBOT-ACJLOTCBSA-N 0 3 413.496 0.993 20 0 HCADHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000539483443 1075343816 /nfs/dbraw/zinc/34/38/16/1075343816.db2.gz MWLFVZOGMHUBOT-FZKQIMNGSA-N 0 3 413.496 0.993 20 0 HCADHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000539483444 1075339269 /nfs/dbraw/zinc/33/92/69/1075339269.db2.gz MWLFVZOGMHUBOT-SCLBCKFNSA-N 0 3 413.496 0.993 20 0 HCADHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000539483445 1075339316 /nfs/dbraw/zinc/33/93/16/1075339316.db2.gz MWLFVZOGMHUBOT-UGSOOPFHSA-N 0 3 413.496 0.993 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000539487249 1075345445 /nfs/dbraw/zinc/34/54/45/1075345445.db2.gz VYSSPLLKJGZWCE-UHFFFAOYSA-N 0 3 416.526 0.256 20 0 HCADHN CS[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1N(C)C ZINC000539492584 1075348572 /nfs/dbraw/zinc/34/85/72/1075348572.db2.gz CQCIKJYIZYUPEL-CVEARBPZSA-N 0 3 400.570 0.853 20 0 HCADHN CS[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1N(C)C ZINC000539492585 1075348401 /nfs/dbraw/zinc/34/84/01/1075348401.db2.gz CQCIKJYIZYUPEL-HOTGVXAUSA-N 0 3 400.570 0.853 20 0 HCADHN CS[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1N(C)C ZINC000539492586 1075348490 /nfs/dbraw/zinc/34/84/90/1075348490.db2.gz CQCIKJYIZYUPEL-HZPDHXFCSA-N 0 3 400.570 0.853 20 0 HCADHN CS[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1N(C)C ZINC000539492587 1075348606 /nfs/dbraw/zinc/34/86/06/1075348606.db2.gz CQCIKJYIZYUPEL-JKSUJKDBSA-N 0 3 400.570 0.853 20 0 HCADHN CN(CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1)Cc1ccccc1 ZINC000539497879 1075353582 /nfs/dbraw/zinc/35/35/82/1075353582.db2.gz HTXPQCSEGGQSHH-UHFFFAOYSA-N 0 3 417.535 0.619 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)c(C)c2)CC1 ZINC000539499123 1075353653 /nfs/dbraw/zinc/35/36/53/1075353653.db2.gz BTUIWEQVTZXFIZ-UHFFFAOYSA-N 0 3 406.512 0.620 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000539502149 1075350239 /nfs/dbraw/zinc/35/02/39/1075350239.db2.gz AHPSSXIINDMQLR-UHFFFAOYSA-N 0 3 417.535 0.797 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(S(N)(=O)=O)cn3)c2)CC1 ZINC000539502208 1075350282 /nfs/dbraw/zinc/35/02/82/1075350282.db2.gz CUWBJLLHHJJGQU-UHFFFAOYSA-N 0 3 417.491 0.679 20 0 HCADHN CN1CCN(CCCNC(=O)c2ccc(S(N)(=O)=O)cn2)[C@H](c2ccccc2)C1 ZINC000539502351 1075350509 /nfs/dbraw/zinc/35/05/09/1075350509.db2.gz JZHURZKDUUAYRI-IBGZPJMESA-N 0 3 417.535 0.838 20 0 HCADHN CN1CCN(CCCNC(=O)c2ccc(S(N)(=O)=O)cn2)[C@@H](c2ccccc2)C1 ZINC000539502352 1075350362 /nfs/dbraw/zinc/35/03/62/1075350362.db2.gz JZHURZKDUUAYRI-LJQANCHMSA-N 0 3 417.535 0.838 20 0 HCADHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000539523407 1075362516 /nfs/dbraw/zinc/36/25/16/1075362516.db2.gz KUCCPDWAGNCQNF-KRWDZBQOSA-N 0 3 407.496 0.492 20 0 HCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000539523408 1075363049 /nfs/dbraw/zinc/36/30/49/1075363049.db2.gz KUCCPDWAGNCQNF-QGZVFWFLSA-N 0 3 407.496 0.492 20 0 HCADHN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000539524007 1075363851 /nfs/dbraw/zinc/36/38/51/1075363851.db2.gz ONXFWDMZCHEDBT-DLBZAZTESA-N 0 3 404.492 0.342 20 0 HCADHN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000539524008 1075363788 /nfs/dbraw/zinc/36/37/88/1075363788.db2.gz ONXFWDMZCHEDBT-IAGOWNOFSA-N 0 3 404.492 0.342 20 0 HCADHN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000539524009 1075363942 /nfs/dbraw/zinc/36/39/42/1075363942.db2.gz ONXFWDMZCHEDBT-IRXDYDNUSA-N 0 3 404.492 0.342 20 0 HCADHN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000539524010 1075363901 /nfs/dbraw/zinc/36/39/01/1075363901.db2.gz ONXFWDMZCHEDBT-SJORKVTESA-N 0 3 404.492 0.342 20 0 HCADHN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1 ZINC000539525227 1075364129 /nfs/dbraw/zinc/36/41/29/1075364129.db2.gz YWWLSHJCGSRMEF-DOTOQJQBSA-N 0 3 404.492 0.342 20 0 HCADHN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000539525228 1075364251 /nfs/dbraw/zinc/36/42/51/1075364251.db2.gz YWWLSHJCGSRMEF-NVXWUHKLSA-N 0 3 404.492 0.342 20 0 HCADHN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1 ZINC000539525230 1075364171 /nfs/dbraw/zinc/36/41/71/1075364171.db2.gz YWWLSHJCGSRMEF-RDJZCZTQSA-N 0 3 404.492 0.342 20 0 HCADHN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000539525232 1075364707 /nfs/dbraw/zinc/36/47/07/1075364707.db2.gz YWWLSHJCGSRMEF-WBVHZDCISA-N 0 3 404.492 0.342 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000539526747 1075366788 /nfs/dbraw/zinc/36/67/88/1075366788.db2.gz YTRXVHMUWMEVKE-INIZCTEOSA-N 0 3 412.556 0.055 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000539526750 1075366854 /nfs/dbraw/zinc/36/68/54/1075366854.db2.gz YTRXVHMUWMEVKE-MRXNPFEDSA-N 0 3 412.556 0.055 20 0 HCADHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000539531611 1075372901 /nfs/dbraw/zinc/37/29/01/1075372901.db2.gz ZMUQPJLOZZZFBI-UHFFFAOYSA-N 0 3 420.535 0.898 20 0 HCADHN O=C(CNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000539552447 1075376185 /nfs/dbraw/zinc/37/61/85/1075376185.db2.gz JVKQMLRYCOBSBC-UHFFFAOYSA-N 0 3 417.554 0.742 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC000539576918 1075384546 /nfs/dbraw/zinc/38/45/46/1075384546.db2.gz FORWUCQMHLISAB-IBGZPJMESA-N 0 3 422.595 0.995 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)c(C)c2)CC1 ZINC000539585569 1075383839 /nfs/dbraw/zinc/38/38/39/1075383839.db2.gz NHCHGPNDUAWTSX-UHFFFAOYSA-N 0 3 417.510 0.050 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000539586111 1075389426 /nfs/dbraw/zinc/38/94/26/1075389426.db2.gz ZQZNSYWOQSHCBO-UHFFFAOYSA-N 0 3 403.405 0.715 20 0 HCADHN O=C(CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)N1CCOCC1 ZINC000539586856 1075390137 /nfs/dbraw/zinc/39/01/37/1075390137.db2.gz OEPJBHJNZPDILH-UHFFFAOYSA-N 0 3 420.535 0.191 20 0 HCADHN NS(=O)(=O)c1cnn(CC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000539587444 1075389859 /nfs/dbraw/zinc/38/98/59/1075389859.db2.gz GAFSFOVZNHPHJU-UHFFFAOYSA-N 0 3 409.434 0.452 20 0 HCADHN CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)N3CCCC3)cc2)CC1 ZINC000539592899 1075392301 /nfs/dbraw/zinc/39/23/01/1075392301.db2.gz HUAFBSQBGQOHSW-KRWDZBQOSA-N 0 3 415.538 0.890 20 0 HCADHN CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](C)N3CCCC3)cc2)CC1 ZINC000539592900 1075392275 /nfs/dbraw/zinc/39/22/75/1075392275.db2.gz HUAFBSQBGQOHSW-QGZVFWFLSA-N 0 3 415.538 0.890 20 0 HCADHN C[C@H](NCCNS(=O)(=O)Cc1ccon1)c1cccc(OCC(=O)N(C)C)c1 ZINC000539602746 1075393144 /nfs/dbraw/zinc/39/31/44/1075393144.db2.gz RHISQEXFFJOYKI-AWEZNQCLSA-N 0 3 410.496 0.912 20 0 HCADHN C[C@@H](NCCNS(=O)(=O)Cc1ccon1)c1cccc(OCC(=O)N(C)C)c1 ZINC000539602747 1075393028 /nfs/dbraw/zinc/39/30/28/1075393028.db2.gz RHISQEXFFJOYKI-CQSZACIVSA-N 0 3 410.496 0.912 20 0 HCADHN C[C@H](CC(=O)NCCc1ccccc1)N[C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000539624475 1075405528 /nfs/dbraw/zinc/40/55/28/1075405528.db2.gz TUSNKZQZLJELHM-JFIYKMOQSA-N 0 3 409.552 0.653 20 0 HCADHN C[C@H](CC(=O)NCCc1ccccc1)N[C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000539624476 1075405440 /nfs/dbraw/zinc/40/54/40/1075405440.db2.gz TUSNKZQZLJELHM-NUJGCVRESA-N 0 3 409.552 0.653 20 0 HCADHN C[C@H](CC(=O)NCCc1ccccc1)N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000539624477 1075405549 /nfs/dbraw/zinc/40/55/49/1075405549.db2.gz TUSNKZQZLJELHM-RYRKJORJSA-N 0 3 409.552 0.653 20 0 HCADHN C[C@H](CC(=O)NCCc1ccccc1)N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000539624478 1075405496 /nfs/dbraw/zinc/40/54/96/1075405496.db2.gz TUSNKZQZLJELHM-SOLBZPMBSA-N 0 3 409.552 0.653 20 0 HCADHN COC(=O)[C@@H](C)Oc1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000539703197 1075435875 /nfs/dbraw/zinc/43/58/75/1075435875.db2.gz JQLSEUKDIOWPRU-AEFFLSMTSA-N 0 3 405.495 0.650 20 0 HCADHN COC(=O)[C@H](C)Oc1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000539703198 1075435934 /nfs/dbraw/zinc/43/59/34/1075435934.db2.gz JQLSEUKDIOWPRU-FUHWJXTLSA-N 0 3 405.495 0.650 20 0 HCADHN COC(=O)[C@@H](C)Oc1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000539703199 1075435797 /nfs/dbraw/zinc/43/57/97/1075435797.db2.gz JQLSEUKDIOWPRU-SJLPKXTDSA-N 0 3 405.495 0.650 20 0 HCADHN COC(=O)[C@H](C)Oc1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000539703200 1075436442 /nfs/dbraw/zinc/43/64/42/1075436442.db2.gz JQLSEUKDIOWPRU-WMZOPIPTSA-N 0 3 405.495 0.650 20 0 HCADHN COC(=O)CCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000539719452 1075439936 /nfs/dbraw/zinc/43/99/36/1075439936.db2.gz JSZKOWZWAXSNEA-UHFFFAOYSA-N 0 3 413.478 0.889 20 0 HCADHN COCCN(CCOc1ccc(F)cc1)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000539720688 1075440284 /nfs/dbraw/zinc/44/02/84/1075440284.db2.gz GCYABMMNRDXIGE-UHFFFAOYSA-N 0 3 419.457 0.600 20 0 HCADHN Cn1c2ncn(CCN[C@@H](CN3CCCC3=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000539729364 1075442491 /nfs/dbraw/zinc/44/24/91/1075442491.db2.gz NQAOAZVYDDZNPS-INIZCTEOSA-N 0 3 410.478 0.387 20 0 HCADHN Cn1c2ncn(CCN[C@H](CN3CCCC3=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000539729365 1075442398 /nfs/dbraw/zinc/44/23/98/1075442398.db2.gz NQAOAZVYDDZNPS-MRXNPFEDSA-N 0 3 410.478 0.387 20 0 HCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000539779307 1075463504 /nfs/dbraw/zinc/46/35/04/1075463504.db2.gz UGYCQAWOWJXUTE-GFCCVEGCSA-N 0 3 424.445 0.888 20 0 HCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000539779310 1075463588 /nfs/dbraw/zinc/46/35/88/1075463588.db2.gz UGYCQAWOWJXUTE-LBPRGKRZSA-N 0 3 424.445 0.888 20 0 HCADHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)cn3C)C2)CC1 ZINC000539808991 1075469823 /nfs/dbraw/zinc/46/98/23/1075469823.db2.gz LNQTVUFHCCXANK-INIZCTEOSA-N 0 3 411.572 0.516 20 0 HCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)cn3C)C2)CC1 ZINC000539808992 1075469852 /nfs/dbraw/zinc/46/98/52/1075469852.db2.gz LNQTVUFHCCXANK-MRXNPFEDSA-N 0 3 411.572 0.516 20 0 HCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000539811859 1075469225 /nfs/dbraw/zinc/46/92/25/1075469225.db2.gz JMWRNYFTTKBTMX-UHFFFAOYSA-N 0 3 416.544 0.621 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000539881440 1075501607 /nfs/dbraw/zinc/50/16/07/1075501607.db2.gz FNSCEYQKIZAYPH-AWEZNQCLSA-N 0 3 421.299 0.870 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000539881441 1075501532 /nfs/dbraw/zinc/50/15/32/1075501532.db2.gz FNSCEYQKIZAYPH-CQSZACIVSA-N 0 3 421.299 0.870 20 0 HCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000539884927 1075502432 /nfs/dbraw/zinc/50/24/32/1075502432.db2.gz BNPYUQFYOYZGDI-GOSISDBHSA-N 0 3 412.538 0.733 20 0 HCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000539884928 1075502344 /nfs/dbraw/zinc/50/23/44/1075502344.db2.gz BNPYUQFYOYZGDI-SFHVURJKSA-N 0 3 412.538 0.733 20 0 HCADHN COC(=O)C1(O)CCN(Cc2ccc(CN3CCC(O)(C(=O)OC)CC3)cc2)CC1 ZINC000539887838 1075503061 /nfs/dbraw/zinc/50/30/61/1075503061.db2.gz AJRPFJLFJGFEMQ-UHFFFAOYSA-N 0 3 420.506 0.686 20 0 HCADHN COc1ccc([C@H](CN2CCCC2)NC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 ZINC000539930534 1075512835 /nfs/dbraw/zinc/51/28/35/1075512835.db2.gz GATZWKBDGWPDJG-KRWDZBQOSA-N 0 3 421.523 0.660 20 0 HCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 ZINC000539930537 1075512890 /nfs/dbraw/zinc/51/28/90/1075512890.db2.gz GATZWKBDGWPDJG-QGZVFWFLSA-N 0 3 421.523 0.660 20 0 HCADHN CN(C(=O)c1ccc(S(N)(=O)=O)cn1)C1CCN(CCc2ccccn2)CC1 ZINC000539937020 1075519906 /nfs/dbraw/zinc/51/99/06/1075519906.db2.gz WEXSQYSDVSQYCW-UHFFFAOYSA-N 0 3 403.508 0.903 20 0 HCADHN Cn1cnn(-c2ccc(NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2)c1=O ZINC000540000992 1075532183 /nfs/dbraw/zinc/53/21/83/1075532183.db2.gz PNUVJDXWYZRZMC-UHFFFAOYSA-N 0 3 413.482 0.343 20 0 HCADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000540010008 1075536637 /nfs/dbraw/zinc/53/66/37/1075536637.db2.gz PPWHCTHIIUQDRY-IBGZPJMESA-N 0 3 424.567 0.867 20 0 HCADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000540010010 1075536595 /nfs/dbraw/zinc/53/65/95/1075536595.db2.gz PPWHCTHIIUQDRY-LJQANCHMSA-N 0 3 424.567 0.867 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)N(C)CCc3cnccn3)ccc2oc1=O ZINC000540027913 1075541511 /nfs/dbraw/zinc/54/15/11/1075541511.db2.gz IBHVRPWEXSRKLT-UHFFFAOYSA-N 0 3 412.450 0.586 20 0 HCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540031561 1075543085 /nfs/dbraw/zinc/54/30/85/1075543085.db2.gz AMNJSILSKYBGRX-INIZCTEOSA-N 0 3 400.483 0.890 20 0 HCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540031562 1075543025 /nfs/dbraw/zinc/54/30/25/1075543025.db2.gz AMNJSILSKYBGRX-MRXNPFEDSA-N 0 3 400.483 0.890 20 0 HCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540031812 1075542644 /nfs/dbraw/zinc/54/26/44/1075542644.db2.gz CUNWKAASTWJNKF-CABCVRRESA-N 0 3 400.483 0.746 20 0 HCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540031813 1075542535 /nfs/dbraw/zinc/54/25/35/1075542535.db2.gz CUNWKAASTWJNKF-GJZGRUSLSA-N 0 3 400.483 0.746 20 0 HCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540031814 1075543061 /nfs/dbraw/zinc/54/30/61/1075543061.db2.gz CUNWKAASTWJNKF-HUUCEWRRSA-N 0 3 400.483 0.746 20 0 HCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540031815 1075542909 /nfs/dbraw/zinc/54/29/09/1075542909.db2.gz CUNWKAASTWJNKF-LSDHHAIUSA-N 0 3 400.483 0.746 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CCSC1 ZINC000540032385 1075537457 /nfs/dbraw/zinc/53/74/57/1075537457.db2.gz BLYTVWVIPQTWHD-GOSISDBHSA-N 0 3 404.496 0.063 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CCSC1 ZINC000540032386 1075537504 /nfs/dbraw/zinc/53/75/04/1075537504.db2.gz BLYTVWVIPQTWHD-SFHVURJKSA-N 0 3 404.496 0.063 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540032511 1075537815 /nfs/dbraw/zinc/53/78/15/1075537815.db2.gz GFLLTFMJGFNNLO-GOSISDBHSA-N 0 3 422.489 0.799 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540032515 1075537755 /nfs/dbraw/zinc/53/77/55/1075537755.db2.gz GFLLTFMJGFNNLO-SFHVURJKSA-N 0 3 422.489 0.799 20 0 HCADHN CN(CC(N)=O)C(=O)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000540033206 1075544126 /nfs/dbraw/zinc/54/41/26/1075544126.db2.gz JYGXIRPKXCRIGC-UHFFFAOYSA-N 0 3 423.517 0.934 20 0 HCADHN COCCn1ccc2ccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000540034544 1075544645 /nfs/dbraw/zinc/54/46/45/1075544645.db2.gz ZZGZYIRCQIIOFJ-UHFFFAOYSA-N 0 3 401.511 0.980 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3ccn(CCOC)c3c2)CC1 ZINC000540034633 1075544558 /nfs/dbraw/zinc/54/45/58/1075544558.db2.gz WAJKTSZFVFKNIV-UHFFFAOYSA-N 0 3 401.511 0.980 20 0 HCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540035592 1075545594 /nfs/dbraw/zinc/54/55/94/1075545594.db2.gz PEVDVPPAWGSOSB-GASCZTMLSA-N 0 3 400.483 0.889 20 0 HCADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540035599 1075544954 /nfs/dbraw/zinc/54/49/54/1075544954.db2.gz PEVDVPPAWGSOSB-GJZGRUSLSA-N 0 3 400.483 0.889 20 0 HCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000540035602 1075545101 /nfs/dbraw/zinc/54/51/01/1075545101.db2.gz PEVDVPPAWGSOSB-HUUCEWRRSA-N 0 3 400.483 0.889 20 0 HCADHN COC(=O)c1c(OC)ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)c1OC ZINC000540040175 1075548111 /nfs/dbraw/zinc/54/81/11/1075548111.db2.gz JWHVEOOZLPYDCE-UHFFFAOYSA-N 0 3 416.496 0.880 20 0 HCADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)N(C)C ZINC000540053262 1075550827 /nfs/dbraw/zinc/55/08/27/1075550827.db2.gz BALYVCTXFDFIHL-KRWDZBQOSA-N 0 3 412.494 0.781 20 0 HCADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)N(C)C ZINC000540053263 1075550928 /nfs/dbraw/zinc/55/09/28/1075550928.db2.gz BALYVCTXFDFIHL-QGZVFWFLSA-N 0 3 412.494 0.781 20 0 HCADHN CC(=O)NCCNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000540053281 1075550805 /nfs/dbraw/zinc/55/08/05/1075550805.db2.gz CBBWGTJUDUQRQC-GOSISDBHSA-N 0 3 412.494 0.829 20 0 HCADHN CC(=O)NCCNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000540053282 1075550846 /nfs/dbraw/zinc/55/08/46/1075550846.db2.gz CBBWGTJUDUQRQC-SFHVURJKSA-N 0 3 412.494 0.829 20 0 HCADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1-c1ccccc1 ZINC000540054368 1075551184 /nfs/dbraw/zinc/55/11/84/1075551184.db2.gz XNYBPEKXORZVSM-UHFFFAOYSA-N 0 3 424.505 0.886 20 0 HCADHN CNC(=O)CCNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000540073556 1075554682 /nfs/dbraw/zinc/55/46/82/1075554682.db2.gz DCCKMEFQFJWHKU-KRWDZBQOSA-N 0 3 412.494 0.829 20 0 HCADHN CNC(=O)CCNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000540073558 1075554709 /nfs/dbraw/zinc/55/47/09/1075554709.db2.gz DCCKMEFQFJWHKU-QGZVFWFLSA-N 0 3 412.494 0.829 20 0 HCADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCCC(N)=O ZINC000540074284 1075554982 /nfs/dbraw/zinc/55/49/82/1075554982.db2.gz QADJPKQHRHYXNK-KRWDZBQOSA-N 0 3 412.494 0.959 20 0 HCADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCCC(N)=O ZINC000540074289 1075555026 /nfs/dbraw/zinc/55/50/26/1075555026.db2.gz QADJPKQHRHYXNK-QGZVFWFLSA-N 0 3 412.494 0.959 20 0 HCADHN CNS(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000540080054 1075558889 /nfs/dbraw/zinc/55/88/89/1075558889.db2.gz NZFQZLPTNGMRJA-UHFFFAOYSA-N 0 3 423.539 0.675 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1ccnn1Cc1ccccn1 ZINC000540080797 1075559402 /nfs/dbraw/zinc/55/94/02/1075559402.db2.gz DQERNQGTQJLKLU-UHFFFAOYSA-N 0 3 401.515 0.838 20 0 HCADHN CS[C@H]1CN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C[C@H]1N(C)C ZINC000540126122 1075567217 /nfs/dbraw/zinc/56/72/17/1075567217.db2.gz KNIHMNNGGUWFIA-CABCVRRESA-N 0 3 415.527 0.368 20 0 HCADHN CS[C@H]1CN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C[C@@H]1N(C)C ZINC000540126123 1075567281 /nfs/dbraw/zinc/56/72/81/1075567281.db2.gz KNIHMNNGGUWFIA-GJZGRUSLSA-N 0 3 415.527 0.368 20 0 HCADHN CS[C@@H]1CN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C[C@H]1N(C)C ZINC000540126124 1075567331 /nfs/dbraw/zinc/56/73/31/1075567331.db2.gz KNIHMNNGGUWFIA-HUUCEWRRSA-N 0 3 415.527 0.368 20 0 HCADHN CS[C@@H]1CN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C[C@@H]1N(C)C ZINC000540126125 1075567192 /nfs/dbraw/zinc/56/71/92/1075567192.db2.gz KNIHMNNGGUWFIA-LSDHHAIUSA-N 0 3 415.527 0.368 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000540127696 1075567767 /nfs/dbraw/zinc/56/77/67/1075567767.db2.gz OSEBHZRKIPIGOF-KRWDZBQOSA-N 0 3 405.543 0.870 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000540127700 1075567746 /nfs/dbraw/zinc/56/77/46/1075567746.db2.gz OSEBHZRKIPIGOF-QGZVFWFLSA-N 0 3 405.543 0.870 20 0 HCADHN CNC(=O)Cn1cc(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000540136457 1075575087 /nfs/dbraw/zinc/57/50/87/1075575087.db2.gz RDKOEYAEVIYILW-UHFFFAOYSA-N 0 3 413.526 0.959 20 0 HCADHN C[C@@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181945 1075580299 /nfs/dbraw/zinc/58/02/99/1075580299.db2.gz IRHMXGMHNJDBSK-CRAIPNDOSA-N 0 3 410.540 0.642 20 0 HCADHN C[C@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181955 1075580156 /nfs/dbraw/zinc/58/01/56/1075580156.db2.gz IRHMXGMHNJDBSK-MAUKXSAKSA-N 0 3 410.540 0.642 20 0 HCADHN C[C@@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181957 1075580448 /nfs/dbraw/zinc/58/04/48/1075580448.db2.gz IRHMXGMHNJDBSK-QAPCUYQASA-N 0 3 410.540 0.642 20 0 HCADHN C[C@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181959 1075580407 /nfs/dbraw/zinc/58/04/07/1075580407.db2.gz IRHMXGMHNJDBSK-YJBOKZPZSA-N 0 3 410.540 0.642 20 0 HCADHN CN1CCN(c2ncc(CNCCOc3ccc(NS(C)(=O)=O)cc3)cn2)CC1 ZINC000540203235 1075581351 /nfs/dbraw/zinc/58/13/51/1075581351.db2.gz PKQZAFHDKKVAJX-UHFFFAOYSA-N 0 3 420.539 0.769 20 0 HCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)s1 ZINC000540205361 1075581845 /nfs/dbraw/zinc/58/18/45/1075581845.db2.gz HFQNZSAMYOHJAH-CYBMUJFWSA-N 0 3 421.610 0.993 20 0 HCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)s1 ZINC000540205363 1075581786 /nfs/dbraw/zinc/58/17/86/1075581786.db2.gz HFQNZSAMYOHJAH-ZDUSSCGKSA-N 0 3 421.610 0.993 20 0 HCADHN C[C@@H]1CN(CCOC2CCN(CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000540245151 1075589426 /nfs/dbraw/zinc/58/94/26/1075589426.db2.gz OWSPUAYIILISDD-HDICACEKSA-N 0 3 407.559 0.969 20 0 HCADHN C[C@@H]1CN(CCOC2CCN(CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000540245152 1075589803 /nfs/dbraw/zinc/58/98/03/1075589803.db2.gz OWSPUAYIILISDD-QZTJIDSGSA-N 0 3 407.559 0.969 20 0 HCADHN C[C@H]1CN(CCOC2CCN(CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000540245219 1075589874 /nfs/dbraw/zinc/58/98/74/1075589874.db2.gz OWSPUAYIILISDD-ROUUACIJSA-N 0 3 407.559 0.969 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000540258262 1075591662 /nfs/dbraw/zinc/59/16/62/1075591662.db2.gz FTYNEVZCNGXBQK-UHFFFAOYSA-N 0 3 400.501 0.342 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3nc(C)cn3c2)CC1 ZINC000540258635 1075591305 /nfs/dbraw/zinc/59/13/05/1075591305.db2.gz IDJYOHPYNSDWCY-UHFFFAOYSA-N 0 3 400.483 0.594 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000540261304 1075592380 /nfs/dbraw/zinc/59/23/80/1075592380.db2.gz WORJEOMJHFLZRB-UHFFFAOYSA-N 0 3 420.919 0.687 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CCSC1 ZINC000540266969 1075595183 /nfs/dbraw/zinc/59/51/83/1075595183.db2.gz OCXUEMIWNDSKHD-JLTOFOAXSA-N 0 3 418.519 0.384 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CCSC1 ZINC000540266970 1075595192 /nfs/dbraw/zinc/59/51/92/1075595192.db2.gz OCXUEMIWNDSKHD-VBKZILBWSA-N 0 3 418.519 0.384 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CCSC1 ZINC000540266971 1075595165 /nfs/dbraw/zinc/59/51/65/1075595165.db2.gz OCXUEMIWNDSKHD-VLIAUNLRSA-N 0 3 418.519 0.384 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CCSC1 ZINC000540266972 1075595133 /nfs/dbraw/zinc/59/51/33/1075595133.db2.gz OCXUEMIWNDSKHD-XOBRGWDASA-N 0 3 418.519 0.384 20 0 HCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000540268222 1075595533 /nfs/dbraw/zinc/59/55/33/1075595533.db2.gz QSCQPCWJFYZDSI-UHFFFAOYSA-N 0 3 400.501 0.390 20 0 HCADHN CCc1nnc(-c2ccc(NC(=O)C(=O)NCCN3CCN(CC)CC3)cc2)o1 ZINC000540274944 1075606626 /nfs/dbraw/zinc/60/66/26/1075606626.db2.gz YNSPOIVSKZKLRQ-UHFFFAOYSA-N 0 3 400.483 0.991 20 0 HCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000540283458 1075602098 /nfs/dbraw/zinc/60/20/98/1075602098.db2.gz DMHPFRZKCFJLTR-CYBMUJFWSA-N 0 3 412.512 0.996 20 0 HCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000540283459 1075602055 /nfs/dbraw/zinc/60/20/55/1075602055.db2.gz DMHPFRZKCFJLTR-ZDUSSCGKSA-N 0 3 412.512 0.996 20 0 HCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000540283490 1075602110 /nfs/dbraw/zinc/60/21/10/1075602110.db2.gz FNWWFMQNJJHASA-CYBMUJFWSA-N 0 3 412.512 0.996 20 0 HCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000540283491 1078335726 /nfs/dbraw/zinc/33/57/26/1078335726.db2.gz FNWWFMQNJJHASA-ZDUSSCGKSA-N 0 3 412.512 0.996 20 0 HCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000540283780 1075601725 /nfs/dbraw/zinc/60/17/25/1075601725.db2.gz PACGVWPUGYRVSM-UHFFFAOYSA-N 0 3 412.512 0.853 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000540283829 1075601352 /nfs/dbraw/zinc/60/13/52/1075601352.db2.gz RHRHBMZZJHWJIN-GDBMZVCRSA-N 0 3 400.479 0.821 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000540283830 1075601377 /nfs/dbraw/zinc/60/13/77/1075601377.db2.gz RHRHBMZZJHWJIN-GOEBONIOSA-N 0 3 400.479 0.821 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000540283831 1075601761 /nfs/dbraw/zinc/60/17/61/1075601761.db2.gz RHRHBMZZJHWJIN-HOCLYGCPSA-N 0 3 400.479 0.821 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000540283832 1075601734 /nfs/dbraw/zinc/60/17/34/1075601734.db2.gz RHRHBMZZJHWJIN-ZBFHGGJFSA-N 0 3 400.479 0.821 20 0 HCADHN CNc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)nc(N[C@H]2c3ccccc3C[C@@H]2O)n1 ZINC000540286375 1075614123 /nfs/dbraw/zinc/61/41/23/1075614123.db2.gz LPTXWQXDKVHWHM-CADBVGFASA-N 0 3 404.474 0.319 20 0 HCADHN CNc1nc(N[C@@H]2c3ccccc3C[C@H]2O)nc(N[C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000540286377 1075614050 /nfs/dbraw/zinc/61/40/50/1075614050.db2.gz LPTXWQXDKVHWHM-FCGDIQPGSA-N 0 3 404.474 0.319 20 0 HCADHN CNc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)nc(N[C@H]2c3ccccc3C[C@H]2O)n1 ZINC000540286379 1075614068 /nfs/dbraw/zinc/61/40/68/1075614068.db2.gz LPTXWQXDKVHWHM-SEXKYXSUSA-N 0 3 404.474 0.319 20 0 HCADHN CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000540291688 1075616192 /nfs/dbraw/zinc/61/61/92/1075616192.db2.gz IJLPNMUDMHBSFW-KRWDZBQOSA-N 0 3 415.538 0.920 20 0 HCADHN CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000540291692 1075616241 /nfs/dbraw/zinc/61/62/41/1075616241.db2.gz IJLPNMUDMHBSFW-QGZVFWFLSA-N 0 3 415.538 0.920 20 0 HCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC000540291877 1075616199 /nfs/dbraw/zinc/61/61/99/1075616199.db2.gz FGNQPXPBDDCUCW-KRWDZBQOSA-N 0 3 422.551 0.656 20 0 HCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC000540291882 1075616136 /nfs/dbraw/zinc/61/61/36/1075616136.db2.gz FGNQPXPBDDCUCW-QGZVFWFLSA-N 0 3 422.551 0.656 20 0 HCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000540292764 1075616864 /nfs/dbraw/zinc/61/68/64/1075616864.db2.gz YZMPVAJFKQXEKY-GOSISDBHSA-N 0 3 412.498 0.228 20 0 HCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000540292765 1075617221 /nfs/dbraw/zinc/61/72/21/1075617221.db2.gz YZMPVAJFKQXEKY-SFHVURJKSA-N 0 3 412.498 0.228 20 0 HCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)C2)CC1 ZINC000540292824 1075617173 /nfs/dbraw/zinc/61/71/73/1075617173.db2.gz OEZQPJHUJZWPAQ-GOSISDBHSA-N 0 3 411.510 0.833 20 0 HCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)C2)CC1 ZINC000540292825 1075617213 /nfs/dbraw/zinc/61/72/13/1075617213.db2.gz OEZQPJHUJZWPAQ-SFHVURJKSA-N 0 3 411.510 0.833 20 0 HCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)CC1 ZINC000540292929 1075616840 /nfs/dbraw/zinc/61/68/40/1075616840.db2.gz QASNPIQRMDEBFR-INIZCTEOSA-N 0 3 415.494 0.697 20 0 HCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)CC1 ZINC000540292930 1075616881 /nfs/dbraw/zinc/61/68/81/1075616881.db2.gz QASNPIQRMDEBFR-MRXNPFEDSA-N 0 3 415.494 0.697 20 0 HCADHN COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000540297538 1075609472 /nfs/dbraw/zinc/60/94/72/1075609472.db2.gz QUPRAWBVHKQLAI-KRWDZBQOSA-N 0 3 419.522 0.637 20 0 HCADHN COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000540297539 1075609592 /nfs/dbraw/zinc/60/95/92/1075609592.db2.gz QUPRAWBVHKQLAI-QGZVFWFLSA-N 0 3 419.522 0.637 20 0 HCADHN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)C1 ZINC000540298967 1075610346 /nfs/dbraw/zinc/61/03/46/1075610346.db2.gz CKOFBFVIWVFZQJ-UHFFFAOYSA-N 0 3 401.511 0.750 20 0 HCADHN C[C@H](NCCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000540299757 1075611003 /nfs/dbraw/zinc/61/10/03/1075611003.db2.gz ASOSDAOTMOHNJE-HNNXBMFYSA-N 0 3 418.523 0.514 20 0 HCADHN C[C@@H](NCCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000540299758 1075611121 /nfs/dbraw/zinc/61/11/21/1075611121.db2.gz ASOSDAOTMOHNJE-OAHLLOKOSA-N 0 3 418.523 0.514 20 0 HCADHN CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCCc2nnc[nH]2)CC1 ZINC000540306142 1075620994 /nfs/dbraw/zinc/62/09/94/1075620994.db2.gz AHGLJKAVZPXUGX-UHFFFAOYSA-N 0 3 405.890 0.897 20 0 HCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000540308293 1075623376 /nfs/dbraw/zinc/62/33/76/1075623376.db2.gz WOMJWIXEHUTCAY-DOMZBBRYSA-N 0 3 412.512 0.850 20 0 HCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000540308294 1075623431 /nfs/dbraw/zinc/62/34/31/1075623431.db2.gz WOMJWIXEHUTCAY-IUODEOHRSA-N 0 3 412.512 0.850 20 0 HCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000540308295 1075623471 /nfs/dbraw/zinc/62/34/71/1075623471.db2.gz WOMJWIXEHUTCAY-SWLSCSKDSA-N 0 3 412.512 0.850 20 0 HCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000540308296 1075623498 /nfs/dbraw/zinc/62/34/98/1075623498.db2.gz WOMJWIXEHUTCAY-WFASDCNBSA-N 0 3 412.512 0.850 20 0 HCADHN Cc1cc(NC(=O)C(=O)NCCn2ncnn2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000540308410 1075624442 /nfs/dbraw/zinc/62/44/42/1075624442.db2.gz VMYZYTBCYMUUFR-KRWDZBQOSA-N 0 3 423.481 0.380 20 0 HCADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCn1ncnn1 ZINC000540308516 1075623954 /nfs/dbraw/zinc/62/39/54/1075623954.db2.gz BDXSNLZXKBGATE-KRWDZBQOSA-N 0 3 423.481 0.380 20 0 HCADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCn1ncnn1 ZINC000540308520 1075623908 /nfs/dbraw/zinc/62/39/08/1075623908.db2.gz BDXSNLZXKBGATE-QGZVFWFLSA-N 0 3 423.481 0.380 20 0 HCADHN Cc1cc(NC(=O)C(=O)NCCn2ncnn2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000540308924 1075623889 /nfs/dbraw/zinc/62/38/89/1075623889.db2.gz VMYZYTBCYMUUFR-QGZVFWFLSA-N 0 3 423.481 0.380 20 0 HCADHN O=C(NCCc1nc[nH]n1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000540310028 1075624402 /nfs/dbraw/zinc/62/44/02/1075624402.db2.gz MHPGBQZZWZJBEN-UHFFFAOYSA-N 0 3 411.466 0.389 20 0 HCADHN Nc1noc(CCNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)n1 ZINC000540310078 1075624248 /nfs/dbraw/zinc/62/42/48/1075624248.db2.gz NQBZFYYTWHWWHI-UHFFFAOYSA-N 0 3 404.496 0.541 20 0 HCADHN C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000540310355 1075624874 /nfs/dbraw/zinc/62/48/74/1075624874.db2.gz SPOGFLSKUNGAFG-BODITIBLSA-N 0 3 410.496 0.368 20 0 HCADHN C[C@@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000540310357 1075624698 /nfs/dbraw/zinc/62/46/98/1075624698.db2.gz SPOGFLSKUNGAFG-JNFKXCBWSA-N 0 3 410.496 0.368 20 0 HCADHN C[C@@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000540310359 1075624770 /nfs/dbraw/zinc/62/47/70/1075624770.db2.gz SPOGFLSKUNGAFG-PSBQPLHCSA-N 0 3 410.496 0.368 20 0 HCADHN C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000540310360 1075624831 /nfs/dbraw/zinc/62/48/31/1075624831.db2.gz SPOGFLSKUNGAFG-YASQENCXSA-N 0 3 410.496 0.368 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCCC(=O)NC3CC3)ccc2oc1=O ZINC000540312671 1075626824 /nfs/dbraw/zinc/62/68/24/1075626824.db2.gz FUMNQIWATQBQON-UHFFFAOYSA-N 0 3 417.466 0.270 20 0 HCADHN CN(CCCn1ccnc1)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000540319597 1075619817 /nfs/dbraw/zinc/61/98/17/1075619817.db2.gz UJJUUXYXTJJFCT-UHFFFAOYSA-N 0 3 423.514 0.877 20 0 HCADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)O1 ZINC000540347445 1075636484 /nfs/dbraw/zinc/63/64/84/1075636484.db2.gz ZZCJEYKKKYXKOT-PMACEKPBSA-N 0 3 417.554 0.869 20 0 HCADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)O1 ZINC000540347452 1075636461 /nfs/dbraw/zinc/63/64/61/1075636461.db2.gz ZZCJEYKKKYXKOT-UXHICEINSA-N 0 3 417.554 0.869 20 0 HCADHN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)O1 ZINC000540347453 1075636528 /nfs/dbraw/zinc/63/65/28/1075636528.db2.gz ZZCJEYKKKYXKOT-VQTJNVASSA-N 0 3 417.554 0.869 20 0 HCADHN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)O1 ZINC000540347454 1075636565 /nfs/dbraw/zinc/63/65/65/1075636565.db2.gz ZZCJEYKKKYXKOT-WOJBJXKFSA-N 0 3 417.554 0.869 20 0 HCADHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000540355445 1075633290 /nfs/dbraw/zinc/63/32/90/1075633290.db2.gz ZJDSROZVIJTOCP-DZGCQCFKSA-N 0 3 417.487 0.902 20 0 HCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@H](O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000540355446 1075633319 /nfs/dbraw/zinc/63/33/19/1075633319.db2.gz ZJDSROZVIJTOCP-HIFRSBDPSA-N 0 3 417.487 0.902 20 0 HCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000540355448 1075633280 /nfs/dbraw/zinc/63/32/80/1075633280.db2.gz ZJDSROZVIJTOCP-UKRRQHHQSA-N 0 3 417.487 0.902 20 0 HCADHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@H](O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000540355449 1075633339 /nfs/dbraw/zinc/63/33/39/1075633339.db2.gz ZJDSROZVIJTOCP-ZFWWWQNUSA-N 0 3 417.487 0.902 20 0 HCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000540374241 1075640126 /nfs/dbraw/zinc/64/01/26/1075640126.db2.gz PNHHOAUEVFWECT-UHFFFAOYSA-N 0 3 401.471 0.475 20 0 HCADHN CC[C@H](NCC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000540380953 1075655734 /nfs/dbraw/zinc/65/57/34/1075655734.db2.gz YXPPHVOTXGMDKF-KRWDZBQOSA-N 0 3 404.511 0.731 20 0 HCADHN CC[C@@H](NCC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000540380956 1075656097 /nfs/dbraw/zinc/65/60/97/1075656097.db2.gz YXPPHVOTXGMDKF-QGZVFWFLSA-N 0 3 404.511 0.731 20 0 HCADHN O=C(CN[C@H](c1ccccc1)[C@H]1CCOC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000540394167 1075652615 /nfs/dbraw/zinc/65/26/15/1075652615.db2.gz GVRABNSVILOMGX-IRFCIJBXSA-N 0 3 421.563 0.685 20 0 HCADHN O=C(CN[C@H](c1ccccc1)[C@H]1CCOC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000540394168 1075652663 /nfs/dbraw/zinc/65/26/63/1075652663.db2.gz GVRABNSVILOMGX-QKNQBKEWSA-N 0 3 421.563 0.685 20 0 HCADHN O=C(CN[C@H](c1ccccc1)[C@@H]1CCOC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000540394169 1075653009 /nfs/dbraw/zinc/65/30/09/1075653009.db2.gz GVRABNSVILOMGX-SFHLNBCPSA-N 0 3 421.563 0.685 20 0 HCADHN O=C(CN[C@H](c1ccccc1)[C@@H]1CCOC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000540394170 1075653014 /nfs/dbraw/zinc/65/30/14/1075653014.db2.gz GVRABNSVILOMGX-SVFBPWRDSA-N 0 3 421.563 0.685 20 0 HCADHN COC(=O)CCN1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412844 1075663468 /nfs/dbraw/zinc/66/34/68/1075663468.db2.gz XMBCPTMNKNVWPX-DLBZAZTESA-N 0 3 411.547 0.208 20 0 HCADHN COC(=O)CCN1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412845 1075663614 /nfs/dbraw/zinc/66/36/14/1075663614.db2.gz XMBCPTMNKNVWPX-IAGOWNOFSA-N 0 3 411.547 0.208 20 0 HCADHN COC(=O)CCN1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412846 1075663579 /nfs/dbraw/zinc/66/35/79/1075663579.db2.gz XMBCPTMNKNVWPX-IRXDYDNUSA-N 0 3 411.547 0.208 20 0 HCADHN COC(=O)CCN1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412847 1075663304 /nfs/dbraw/zinc/66/33/04/1075663304.db2.gz XMBCPTMNKNVWPX-SJORKVTESA-N 0 3 411.547 0.208 20 0 HCADHN COC(=O)CCN1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000540421315 1075666243 /nfs/dbraw/zinc/66/62/43/1075666243.db2.gz XIWCJDZWXBJBOZ-GOSISDBHSA-N 0 3 403.527 0.690 20 0 HCADHN COC(=O)CCN1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000540421316 1075666208 /nfs/dbraw/zinc/66/62/08/1075666208.db2.gz XIWCJDZWXBJBOZ-SFHVURJKSA-N 0 3 403.527 0.690 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000540433142 1075672941 /nfs/dbraw/zinc/67/29/41/1075672941.db2.gz LQJKKKRDLOIMEI-INIZCTEOSA-N 0 3 404.450 0.866 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000540433143 1075672891 /nfs/dbraw/zinc/67/28/91/1075672891.db2.gz LQJKKKRDLOIMEI-MRXNPFEDSA-N 0 3 404.450 0.866 20 0 HCADHN CC(C)[C@H](NCC(=O)NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCOCC1 ZINC000540458307 1075679230 /nfs/dbraw/zinc/67/92/30/1075679230.db2.gz NSMFIJKOOZVKCI-FQEVSTJZSA-N 0 3 424.586 0.611 20 0 HCADHN CC(C)[C@@H](NCC(=O)NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCOCC1 ZINC000540458308 1075679205 /nfs/dbraw/zinc/67/92/05/1075679205.db2.gz NSMFIJKOOZVKCI-HXUWFJFHSA-N 0 3 424.586 0.611 20 0 HCADHN CC(C)[C@@H](NCCOc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCOCC1 ZINC000540460038 1075674490 /nfs/dbraw/zinc/67/44/90/1075674490.db2.gz AXOOHPDRAVITBX-GOSISDBHSA-N 0 3 413.540 0.789 20 0 HCADHN CC(C)[C@H](NCCOc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCOCC1 ZINC000540460039 1075674460 /nfs/dbraw/zinc/67/44/60/1075674460.db2.gz AXOOHPDRAVITBX-SFHVURJKSA-N 0 3 413.540 0.789 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnc3sc(C)c(C)n3c2=O)CC1 ZINC000540495086 1075692151 /nfs/dbraw/zinc/69/21/51/1075692151.db2.gz QFRNDYOIHJUEHW-UHFFFAOYSA-N 0 3 405.524 0.999 20 0 HCADHN CN1CCN(C)[C@@H](CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 ZINC000540571599 1075718503 /nfs/dbraw/zinc/71/85/03/1075718503.db2.gz QEYGHZABRYKTCV-SLFFLAALSA-N 0 3 414.554 0.130 20 0 HCADHN COCCN(C)CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000540572853 1075719481 /nfs/dbraw/zinc/71/94/81/1075719481.db2.gz POEVLBKWMGLZFV-OALUTQOASA-N 0 3 403.527 0.463 20 0 HCADHN Cc1ccc(CN2CCCN(C(=O)CN3CCC(S(N)(=O)=O)CC3)CC2)cc1 ZINC000540574257 1075719400 /nfs/dbraw/zinc/71/94/00/1075719400.db2.gz CMLCYHVILZVPKD-UHFFFAOYSA-N 0 3 408.568 0.782 20 0 HCADHN CS[C@@H]1CN([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@H]1N(C)C ZINC000540575122 1075719710 /nfs/dbraw/zinc/71/97/10/1075719710.db2.gz JKUSQTQEMQSJRS-BQGCOEIASA-N 0 3 414.597 0.877 20 0 HCADHN CS[C@@H]1CN([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@H]1N(C)C ZINC000540575123 1075719805 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/nfs/dbraw/zinc/80/52/14/1075805214.db2.gz SNJRROOVQLRIQG-DOTOQJQBSA-N 0 3 406.508 0.285 20 0 HCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000540920238 1075805127 /nfs/dbraw/zinc/80/51/27/1075805127.db2.gz SNJRROOVQLRIQG-NVXWUHKLSA-N 0 3 406.508 0.285 20 0 HCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000540920239 1075805176 /nfs/dbraw/zinc/80/51/76/1075805176.db2.gz SNJRROOVQLRIQG-RDJZCZTQSA-N 0 3 406.508 0.285 20 0 HCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000540920240 1075805208 /nfs/dbraw/zinc/80/52/08/1075805208.db2.gz SNJRROOVQLRIQG-WBVHZDCISA-N 0 3 406.508 0.285 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)NCc1cccnc1-n1cccn1 ZINC000540920311 1075805195 /nfs/dbraw/zinc/80/51/95/1075805195.db2.gz NOQHXXDSKPRART-UHFFFAOYSA-N 0 3 401.515 0.457 20 0 HCADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000540974195 1075815973 /nfs/dbraw/zinc/81/59/73/1075815973.db2.gz UXJFULWSJSQARQ-INIZCTEOSA-N 0 3 422.457 0.610 20 0 HCADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000540974201 1075815962 /nfs/dbraw/zinc/81/59/62/1075815962.db2.gz UXJFULWSJSQARQ-MRXNPFEDSA-N 0 3 422.457 0.610 20 0 HCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000540983984 1075819189 /nfs/dbraw/zinc/81/91/89/1075819189.db2.gz PKPCODYFRMSDQH-GOSISDBHSA-N 0 3 402.605 0.923 20 0 HCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000540983985 1075819211 /nfs/dbraw/zinc/81/92/11/1075819211.db2.gz PKPCODYFRMSDQH-SFHVURJKSA-N 0 3 402.605 0.923 20 0 HCADHN COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000540985969 1075819769 /nfs/dbraw/zinc/81/97/69/1075819769.db2.gz DRCCXYKTSHBJCA-GFCCVEGCSA-N 0 3 423.466 0.896 20 0 HCADHN COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000540985977 1075819745 /nfs/dbraw/zinc/81/97/45/1075819745.db2.gz DRCCXYKTSHBJCA-LBPRGKRZSA-N 0 3 423.466 0.896 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H](C(=O)NC)C2)CC1 ZINC000540989569 1075820491 /nfs/dbraw/zinc/82/04/91/1075820491.db2.gz WWNZWUFFEIYPCU-IBGZPJMESA-N 0 3 403.527 0.481 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC000540989570 1075820475 /nfs/dbraw/zinc/82/04/75/1075820475.db2.gz WWNZWUFFEIYPCU-LJQANCHMSA-N 0 3 403.527 0.481 20 0 HCADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000540992611 1075821638 /nfs/dbraw/zinc/82/16/38/1075821638.db2.gz XDKWAJSVGLEWGG-MSOLQXFVSA-N 0 3 411.524 0.615 20 0 HCADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000540992612 1075821610 /nfs/dbraw/zinc/82/16/10/1075821610.db2.gz XDKWAJSVGLEWGG-QZTJIDSGSA-N 0 3 411.524 0.615 20 0 HCADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000540992613 1075821550 /nfs/dbraw/zinc/82/15/50/1075821550.db2.gz XDKWAJSVGLEWGG-ROUUACIJSA-N 0 3 411.524 0.615 20 0 HCADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000540992614 1075821531 /nfs/dbraw/zinc/82/15/31/1075821531.db2.gz XDKWAJSVGLEWGG-ZWKOTPCHSA-N 0 3 411.524 0.615 20 0 HCADHN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn(C)c1=O ZINC000541017632 1075828696 /nfs/dbraw/zinc/82/86/96/1075828696.db2.gz GCAKSLLXRKYSAK-HKUYNNGSSA-N 0 3 412.490 0.631 20 0 HCADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn(C)c1=O ZINC000541017639 1075828642 /nfs/dbraw/zinc/82/86/42/1075828642.db2.gz GCAKSLLXRKYSAK-IEBWSBKVSA-N 0 3 412.490 0.631 20 0 HCADHN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn(C)c1=O ZINC000541017643 1075828654 /nfs/dbraw/zinc/82/86/54/1075828654.db2.gz GCAKSLLXRKYSAK-MJGOQNOKSA-N 0 3 412.490 0.631 20 0 HCADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn(C)c1=O ZINC000541017645 1075828701 /nfs/dbraw/zinc/82/87/01/1075828701.db2.gz GCAKSLLXRKYSAK-PKOBYXMFSA-N 0 3 412.490 0.631 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C3CCCC3)nn2C)CC1 ZINC000541019878 1075829637 /nfs/dbraw/zinc/82/96/37/1075829637.db2.gz LGNZDPQCSZSUST-KRWDZBQOSA-N 0 3 416.526 0.781 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C3CCCC3)nn2C)CC1 ZINC000541019884 1075829685 /nfs/dbraw/zinc/82/96/85/1075829685.db2.gz LGNZDPQCSZSUST-QGZVFWFLSA-N 0 3 416.526 0.781 20 0 HCADHN CCN1CCN(CCC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000541027080 1075825717 /nfs/dbraw/zinc/82/57/17/1075825717.db2.gz QFASHHNMDBJNLK-GOSISDBHSA-N 0 3 400.589 0.867 20 0 HCADHN CCN1CCN(CCC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000541027081 1075825992 /nfs/dbraw/zinc/82/59/92/1075825992.db2.gz QFASHHNMDBJNLK-SFHVURJKSA-N 0 3 400.589 0.867 20 0 HCADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000541029745 1075826801 /nfs/dbraw/zinc/82/68/01/1075826801.db2.gz HOXCZSDGGKFPAD-UHFFFAOYSA-N 0 3 411.506 0.696 20 0 HCADHN Cn1cc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)ccc1=O ZINC000541030899 1075834241 /nfs/dbraw/zinc/83/42/41/1075834241.db2.gz SYFYNVMEJPIGNE-UHFFFAOYSA-N 0 3 411.506 0.648 20 0 HCADHN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000541031581 1075834598 /nfs/dbraw/zinc/83/45/98/1075834598.db2.gz YZZQJUJNUQMNTB-UHFFFAOYSA-N 0 3 416.526 0.783 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000541034563 1075835296 /nfs/dbraw/zinc/83/52/96/1075835296.db2.gz CQLBUFDBCZYXGE-KRWDZBQOSA-N 0 3 420.535 0.190 20 0 HCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000541034567 1075835355 /nfs/dbraw/zinc/83/53/55/1075835355.db2.gz CQLBUFDBCZYXGE-QGZVFWFLSA-N 0 3 420.535 0.190 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)NC)C3)c(C)c2)CC1 ZINC000541039244 1075832314 /nfs/dbraw/zinc/83/23/14/1075832314.db2.gz MVOHAMRLWBMEBM-GOSISDBHSA-N 0 3 417.510 0.049 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)NC)C3)c(C)c2)CC1 ZINC000541039245 1075832274 /nfs/dbraw/zinc/83/22/74/1075832274.db2.gz MVOHAMRLWBMEBM-SFHVURJKSA-N 0 3 417.510 0.049 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000541045016 1075833681 /nfs/dbraw/zinc/83/36/81/1075833681.db2.gz ODMLAVKRFUGVEK-UHFFFAOYSA-N 0 3 402.455 0.676 20 0 HCADHN C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)o1 ZINC000541046523 1075837520 /nfs/dbraw/zinc/83/75/20/1075837520.db2.gz PCEPWMMDJZBCDX-INIZCTEOSA-N 0 3 407.492 0.993 20 0 HCADHN C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)o1 ZINC000541046523 1075837518 /nfs/dbraw/zinc/83/75/18/1075837518.db2.gz PCEPWMMDJZBCDX-INIZCTEOSA-N 0 3 407.492 0.993 20 0 HCADHN C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)o1 ZINC000541046524 1075837537 /nfs/dbraw/zinc/83/75/37/1075837537.db2.gz PCEPWMMDJZBCDX-MRXNPFEDSA-N 0 3 407.492 0.993 20 0 HCADHN C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)o1 ZINC000541046524 1075837536 /nfs/dbraw/zinc/83/75/36/1075837536.db2.gz PCEPWMMDJZBCDX-MRXNPFEDSA-N 0 3 407.492 0.993 20 0 HCADHN CCN(C(=O)CN[C@H](CO)C(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000541081579 1075840448 /nfs/dbraw/zinc/84/04/48/1075840448.db2.gz ZFUAJQORNRTVSN-OAHLLOKOSA-N 0 3 403.483 0.539 20 0 HCADHN Cc1cc(C2CCN(CC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)CC2)[nH]n1 ZINC000541107297 1075842428 /nfs/dbraw/zinc/84/24/28/1075842428.db2.gz PUUGWLNMUCQRFK-UHFFFAOYSA-N 0 3 423.525 0.923 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCOCC4(CC4)C3)c2)CC1 ZINC000541132434 1075844921 /nfs/dbraw/zinc/84/49/21/1075844921.db2.gz BNDCHMGJUXTLDD-UHFFFAOYSA-N 0 3 414.506 0.961 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCOCC4(CC4)C3)ccc2oc1=O ZINC000541132863 1075844897 /nfs/dbraw/zinc/84/48/97/1075844897.db2.gz IWPKZTFUZZONOE-UHFFFAOYSA-N 0 3 402.451 0.734 20 0 HCADHN COc1c(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cccc1C(N)=O ZINC000541138635 1075846209 /nfs/dbraw/zinc/84/62/09/1075846209.db2.gz MPVNWFJVCLUNDB-UHFFFAOYSA-N 0 3 410.474 0.948 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000541139113 1075846427 /nfs/dbraw/zinc/84/64/27/1075846427.db2.gz PQQSVCKWFREFMQ-GOSISDBHSA-N 0 3 401.511 0.958 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000541139115 1075846386 /nfs/dbraw/zinc/84/63/86/1075846386.db2.gz PQQSVCKWFREFMQ-SFHVURJKSA-N 0 3 401.511 0.958 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000541144848 1075848121 /nfs/dbraw/zinc/84/81/21/1075848121.db2.gz SCKLPZIMJAKFHK-UHFFFAOYSA-N 0 3 414.510 0.522 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cncnc3OC)cc2)CC1 ZINC000541151511 1075849283 /nfs/dbraw/zinc/84/92/83/1075849283.db2.gz YMKMJKWLZVJYOZ-UHFFFAOYSA-N 0 3 412.494 0.878 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000541187316 1075857128 /nfs/dbraw/zinc/85/71/28/1075857128.db2.gz MQPIFABOMWHEHO-KRWDZBQOSA-N 0 3 405.547 0.190 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000541187317 1075857176 /nfs/dbraw/zinc/85/71/76/1075857176.db2.gz MQPIFABOMWHEHO-QGZVFWFLSA-N 0 3 405.547 0.190 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000541199065 1075860447 /nfs/dbraw/zinc/86/04/47/1075860447.db2.gz AENFNDYQMYJETB-DLBZAZTESA-N 0 3 406.531 0.663 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000541199066 1075860427 /nfs/dbraw/zinc/86/04/27/1075860427.db2.gz AENFNDYQMYJETB-IAGOWNOFSA-N 0 3 406.531 0.663 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000541199067 1075860463 /nfs/dbraw/zinc/86/04/63/1075860463.db2.gz AENFNDYQMYJETB-IRXDYDNUSA-N 0 3 406.531 0.663 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000541199068 1075860439 /nfs/dbraw/zinc/86/04/39/1075860439.db2.gz AENFNDYQMYJETB-SJORKVTESA-N 0 3 406.531 0.663 20 0 HCADHN C[C@H](NC[C@H](O)Cn1c(-c2ccccc2)noc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541204865 1075859079 /nfs/dbraw/zinc/85/90/79/1075859079.db2.gz HMPPKEPNHGQWQT-BBRMVZONSA-N 0 3 418.475 0.862 20 0 HCADHN C[C@@H](NC[C@H](O)Cn1c(-c2ccccc2)noc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541204866 1075859098 /nfs/dbraw/zinc/85/90/98/1075859098.db2.gz HMPPKEPNHGQWQT-CJNGLKHVSA-N 0 3 418.475 0.862 20 0 HCADHN C[C@@H](NC[C@@H](O)Cn1c(-c2ccccc2)noc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541204867 1075859071 /nfs/dbraw/zinc/85/90/71/1075859071.db2.gz HMPPKEPNHGQWQT-CZUORRHYSA-N 0 3 418.475 0.862 20 0 HCADHN C[C@H](NC[C@@H](O)Cn1c(-c2ccccc2)noc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541204868 1075859088 /nfs/dbraw/zinc/85/90/88/1075859088.db2.gz HMPPKEPNHGQWQT-XJKSGUPXSA-N 0 3 418.475 0.862 20 0 HCADHN CN1CCN(CCCCNC(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC000541247997 1075865213 /nfs/dbraw/zinc/86/52/13/1075865213.db2.gz WUNXBJLMGRFVDU-UHFFFAOYSA-N 0 3 405.524 0.640 20 0 HCADHN CC(=O)NC1CCC(N(C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000541315001 1078389399 /nfs/dbraw/zinc/38/93/99/1078389399.db2.gz VAIJICUGQGGKOP-UHFFFAOYSA-N 0 3 404.577 0.542 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)c2)CC1 ZINC000541352851 1075878571 /nfs/dbraw/zinc/87/85/71/1075878571.db2.gz DNFJAYXSVHWWBI-QXAKKESOSA-N 0 3 414.506 0.552 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)c2)CC1 ZINC000541352854 1075878513 /nfs/dbraw/zinc/87/85/13/1075878513.db2.gz DNFJAYXSVHWWBI-UHOSZYNNSA-N 0 3 414.506 0.552 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)c2)CC1 ZINC000541352856 1075878589 /nfs/dbraw/zinc/87/85/89/1075878589.db2.gz DNFJAYXSVHWWBI-WDSOQIARSA-N 0 3 414.506 0.552 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)c2)CC1 ZINC000541352858 1075878548 /nfs/dbraw/zinc/87/85/48/1075878548.db2.gz DNFJAYXSVHWWBI-YTQUADARSA-N 0 3 414.506 0.552 20 0 HCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cc1OC ZINC000541367975 1075879857 /nfs/dbraw/zinc/87/98/57/1075879857.db2.gz DFNZSUKWYFHOIE-AWEZNQCLSA-N 0 3 400.497 0.853 20 0 HCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1OC ZINC000541367976 1075879840 /nfs/dbraw/zinc/87/98/40/1075879840.db2.gz DFNZSUKWYFHOIE-CQSZACIVSA-N 0 3 400.497 0.853 20 0 HCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000541385203 1075883256 /nfs/dbraw/zinc/88/32/56/1075883256.db2.gz YTXMGHKOAGFXHA-CYBMUJFWSA-N 0 3 402.948 0.991 20 0 HCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000541385204 1075883242 /nfs/dbraw/zinc/88/32/42/1075883242.db2.gz YTXMGHKOAGFXHA-ZDUSSCGKSA-N 0 3 402.948 0.991 20 0 HCADHN Cc1ccc([C@H]2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)cc1 ZINC000541392659 1075884002 /nfs/dbraw/zinc/88/40/02/1075884002.db2.gz JKMODSGOORAHCV-NRFANRHFSA-N 0 3 414.550 0.787 20 0 HCADHN Cc1ccc([C@@H]2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)cc1 ZINC000541392662 1075884031 /nfs/dbraw/zinc/88/40/31/1075884031.db2.gz JKMODSGOORAHCV-OAQYLSRUSA-N 0 3 414.550 0.787 20 0 HCADHN COC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000541411593 1075887139 /nfs/dbraw/zinc/88/71/39/1075887139.db2.gz MZKBPUICMAZWEY-CYBMUJFWSA-N 0 3 404.467 0.390 20 0 HCADHN COC(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000541411594 1075887150 /nfs/dbraw/zinc/88/71/50/1075887150.db2.gz MZKBPUICMAZWEY-ZDUSSCGKSA-N 0 3 404.467 0.390 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000541456624 1075889684 /nfs/dbraw/zinc/88/96/84/1075889684.db2.gz MUZJDKQUILYXJV-UHFFFAOYSA-N 0 3 421.523 0.959 20 0 HCADHN O=C(c1cccc(CN2CCCC2)c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000542473504 1077411564 /nfs/dbraw/zinc/41/15/64/1077411564.db2.gz KKBIOLAKOUJMNG-UHFFFAOYSA-N 0 3 404.496 0.547 20 0 HCADHN CCS(=O)(=O)N1CCC(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000542544731 1077781420 /nfs/dbraw/zinc/78/14/20/1077781420.db2.gz KRSLLSBXPCGHCJ-INIZCTEOSA-N 0 3 403.593 0.231 20 0 HCADHN CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000542544742 1077781559 /nfs/dbraw/zinc/78/15/59/1077781559.db2.gz KRSLLSBXPCGHCJ-MRXNPFEDSA-N 0 3 403.593 0.231 20 0 HCADHN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN[C@@H](CC(N)=O)C1CCOCC1 ZINC000542564176 1077856989 /nfs/dbraw/zinc/85/69/89/1077856989.db2.gz LGWWQOODOFFCEU-INIZCTEOSA-N 0 3 410.902 0.963 20 0 HCADHN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN[C@H](CC(N)=O)C1CCOCC1 ZINC000542564177 1077856962 /nfs/dbraw/zinc/85/69/62/1077856962.db2.gz LGWWQOODOFFCEU-MRXNPFEDSA-N 0 3 410.902 0.963 20 0 HCADHN Cc1cc(C)c(NC(=O)CNC(=O)CN[C@@H](CC(N)=O)C2CCOCC2)c(C)c1 ZINC000542565970 1077878467 /nfs/dbraw/zinc/87/84/67/1077878467.db2.gz OEAWAKWRQQKBFI-KRWDZBQOSA-N 0 3 404.511 0.927 20 0 HCADHN Cc1cc(C)c(NC(=O)CNC(=O)CN[C@H](CC(N)=O)C2CCOCC2)c(C)c1 ZINC000542565971 1077878540 /nfs/dbraw/zinc/87/85/40/1077878540.db2.gz OEAWAKWRQQKBFI-QGZVFWFLSA-N 0 3 404.511 0.927 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000542594017 1078101574 /nfs/dbraw/zinc/10/15/74/1078101574.db2.gz BYMKKRVPMGUCCU-UHFFFAOYSA-N 0 3 416.482 0.255 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000542594039 1078101625 /nfs/dbraw/zinc/10/16/25/1078101625.db2.gz DAEHINYZIOEUDY-UHFFFAOYSA-N 0 3 412.512 0.102 20 0 HCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCN(CCO)CC3)c2)CC1 ZINC000542596417 1078104535 /nfs/dbraw/zinc/10/45/35/1078104535.db2.gz BZBGYGWGYRSROB-UHFFFAOYSA-N 0 3 403.527 0.292 20 0 HCADHN CCn1cnnc1-c1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000542596671 1078106558 /nfs/dbraw/zinc/10/65/58/1078106558.db2.gz VJFPSWFCKYVPPX-INIZCTEOSA-N 0 3 413.526 0.903 20 0 HCADHN CCn1cnnc1-c1ccccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000542596682 1078106403 /nfs/dbraw/zinc/10/64/03/1078106403.db2.gz VJFPSWFCKYVPPX-MRXNPFEDSA-N 0 3 413.526 0.903 20 0 HCADHN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000542596834 1078105716 /nfs/dbraw/zinc/10/57/16/1078105716.db2.gz VTGIFDYSNFYXPC-INIZCTEOSA-N 0 3 410.478 0.915 20 0 HCADHN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000542596840 1078105583 /nfs/dbraw/zinc/10/55/83/1078105583.db2.gz VTGIFDYSNFYXPC-MRXNPFEDSA-N 0 3 410.478 0.915 20 0 HCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1CCN(CCO)CC1 ZINC000542597772 1078108258 /nfs/dbraw/zinc/10/82/58/1078108258.db2.gz GIYIGFSXSINSSD-UHFFFAOYSA-N 0 3 406.552 0.353 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542602652 1078177403 /nfs/dbraw/zinc/17/74/03/1078177403.db2.gz CJZVGVXJCMUKSO-AWEZNQCLSA-N 0 3 408.524 0.795 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542602653 1078178184 /nfs/dbraw/zinc/17/81/84/1078178184.db2.gz CJZVGVXJCMUKSO-CQSZACIVSA-N 0 3 408.524 0.795 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)CC1 ZINC000542603017 1078171393 /nfs/dbraw/zinc/17/13/93/1078171393.db2.gz TVVSPNVQCVDTTR-UHFFFAOYSA-N 0 3 418.494 0.388 20 0 HCADHN CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)NCCN1CCCCCC1 ZINC000542603079 1078173496 /nfs/dbraw/zinc/17/34/96/1078173496.db2.gz XFZRHYRXVCUYDI-UHFFFAOYSA-N 0 3 408.524 0.939 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000542606025 1078209739 /nfs/dbraw/zinc/20/97/39/1078209739.db2.gz HPXFXQDCOUXPFS-UHFFFAOYSA-N 0 3 408.524 0.795 20 0 HCADHN CC(C)(CC(N)=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000542629880 1079042648 /nfs/dbraw/zinc/04/26/48/1079042648.db2.gz UPVBLQWXLUHWSL-UHFFFAOYSA-N 0 3 422.551 0.252 20 0 HCADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000542630054 1079040651 /nfs/dbraw/zinc/04/06/51/1079040651.db2.gz RNLJQQRNICZCNU-FQEVSTJZSA-N 0 3 420.535 0.714 20 0 HCADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000542630055 1079040811 /nfs/dbraw/zinc/04/08/11/1079040811.db2.gz RNLJQQRNICZCNU-HXUWFJFHSA-N 0 3 420.535 0.714 20 0 HCADHN C[C@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1COc2ccccc21 ZINC000542630504 1079039343 /nfs/dbraw/zinc/03/93/43/1079039343.db2.gz GQESOTWLHZHDNK-HKUYNNGSSA-N 0 3 416.522 0.144 20 0 HCADHN C[C@@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1COc2ccccc21 ZINC000542630505 1079039482 /nfs/dbraw/zinc/03/94/82/1079039482.db2.gz GQESOTWLHZHDNK-IEBWSBKVSA-N 0 3 416.522 0.144 20 0 HCADHN C[C@@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1COc2ccccc21 ZINC000542630506 1079039399 /nfs/dbraw/zinc/03/93/99/1079039399.db2.gz GQESOTWLHZHDNK-MJGOQNOKSA-N 0 3 416.522 0.144 20 0 HCADHN C[C@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1COc2ccccc21 ZINC000542630507 1079039871 /nfs/dbraw/zinc/03/98/71/1079039871.db2.gz GQESOTWLHZHDNK-PKOBYXMFSA-N 0 3 416.522 0.144 20 0 HCADHN Cc1ccc(NC(=O)CNC(C)(C)CC(N)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000542632106 1079054842 /nfs/dbraw/zinc/05/48/42/1079054842.db2.gz XIICWHILRRPHLK-UHFFFAOYSA-N 0 3 412.512 0.198 20 0 HCADHN CCN1CCN(C(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CC1=O ZINC000542642078 1079271791 /nfs/dbraw/zinc/27/17/91/1079271791.db2.gz BGEVIFMSBWSVCS-UHFFFAOYSA-N 0 3 401.511 0.846 20 0 HCADHN CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000542642655 1079292810 /nfs/dbraw/zinc/29/28/10/1079292810.db2.gz LYNXBNSENUTHRB-UHFFFAOYSA-N 0 3 410.540 0.865 20 0 HCADHN CCCCn1c(N)c(N(C(=O)CNC(C)(C)CC(N)=O)C2CCCC2)c(=O)[nH]c1=O ZINC000542656464 1079472896 /nfs/dbraw/zinc/47/28/96/1079472896.db2.gz RWJPRMMBYQNGDB-UHFFFAOYSA-N 0 3 422.530 0.850 20 0 HCADHN COCCN1CCC(NC(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000542687555 1080226006 /nfs/dbraw/zinc/22/60/06/1080226006.db2.gz VJFICZXBCUOYHJ-UHFFFAOYSA-N 0 3 404.515 0.702 20 0 HCADHN COC(=O)Cn1cc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cn1 ZINC000542758041 1080273827 /nfs/dbraw/zinc/27/38/27/1080273827.db2.gz WDAGGOSJZDQUKT-UHFFFAOYSA-N 0 3 413.544 0.094 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1C(N)=O ZINC000542759471 1080273896 /nfs/dbraw/zinc/27/38/96/1080273896.db2.gz YKMADPAHPWHPIF-UHFFFAOYSA-N 0 3 424.567 0.832 20 0 HCADHN CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000542761083 1080273256 /nfs/dbraw/zinc/27/32/56/1080273256.db2.gz SZRCDQULNBVUTQ-UHFFFAOYSA-N 0 3 411.521 0.834 20 0 HCADHN CN1CCN(CC2(C)CCN(S(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)CC1 ZINC000542762079 1080275286 /nfs/dbraw/zinc/27/52/86/1080275286.db2.gz WFANZHLNTPRSTL-UHFFFAOYSA-N 0 3 419.555 0.701 20 0 HCADHN COC(=O)c1cn(C2CCN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)nn1 ZINC000542769310 1080284475 /nfs/dbraw/zinc/28/44/75/1080284475.db2.gz NHBYDTZFMIDVEP-HNNXBMFYSA-N 0 3 407.519 0.295 20 0 HCADHN COC(=O)c1cn(C2CCN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)nn1 ZINC000542769313 1080284539 /nfs/dbraw/zinc/28/45/39/1080284539.db2.gz NHBYDTZFMIDVEP-OAHLLOKOSA-N 0 3 407.519 0.295 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000542775305 1080288459 /nfs/dbraw/zinc/28/84/59/1080288459.db2.gz SBHXGXZYPJFQLU-UHFFFAOYSA-N 0 3 417.554 0.938 20 0 HCADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CCC2(CC1)NC(=O)NC2=O ZINC000542778797 1080291720 /nfs/dbraw/zinc/29/17/20/1080291720.db2.gz LMLZSOVNICNSIK-IOANDJKRSA-N 0 3 414.506 0.754 20 0 HCADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CCC2(CC1)NC(=O)NC2=O ZINC000542778798 1080291881 /nfs/dbraw/zinc/29/18/81/1080291881.db2.gz LMLZSOVNICNSIK-NYXBAERPSA-N 0 3 414.506 0.754 20 0 HCADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CCC2(CC1)NC(=O)NC2=O ZINC000542778799 1080291772 /nfs/dbraw/zinc/29/17/72/1080291772.db2.gz LMLZSOVNICNSIK-RKQJOMJXSA-N 0 3 414.506 0.754 20 0 HCADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CCC2(CC1)NC(=O)NC2=O ZINC000542778800 1080291796 /nfs/dbraw/zinc/29/17/96/1080291796.db2.gz LMLZSOVNICNSIK-YHHIVYBXSA-N 0 3 414.506 0.754 20 0 HCADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000542841370 1080350635 /nfs/dbraw/zinc/35/06/35/1080350635.db2.gz AMRSMRLMIYJQGS-INIZCTEOSA-N 0 3 420.441 0.316 20 0 HCADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000542841371 1080351380 /nfs/dbraw/zinc/35/13/80/1080351380.db2.gz AMRSMRLMIYJQGS-MRXNPFEDSA-N 0 3 420.441 0.316 20 0 HCADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000542843425 1080351960 /nfs/dbraw/zinc/35/19/60/1080351960.db2.gz DSZPIHSMQDWEGU-UHFFFAOYSA-N 0 3 406.483 0.564 20 0 HCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000542845334 1080351942 /nfs/dbraw/zinc/35/19/42/1080351942.db2.gz ZJYQSTYNRVKGNN-HNNXBMFYSA-N 0 3 418.494 0.706 20 0 HCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000542845338 1080352105 /nfs/dbraw/zinc/35/21/05/1080352105.db2.gz ZJYQSTYNRVKGNN-OAHLLOKOSA-N 0 3 418.494 0.706 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@H](C(=O)NC)C3)cc2)CC1 ZINC000542846206 1080353572 /nfs/dbraw/zinc/35/35/72/1080353572.db2.gz KSTMPXOPCBIYQK-IBGZPJMESA-N 0 3 403.527 0.481 20 0 HCADHN COCCN(CCOC)S(=O)(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000542846209 1080353428 /nfs/dbraw/zinc/35/34/28/1080353428.db2.gz KXNFYBUXYDJAQB-GOSISDBHSA-N 0 3 401.529 0.182 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](C(=O)NC)C3)cc2)CC1 ZINC000542846211 1080353548 /nfs/dbraw/zinc/35/35/48/1080353548.db2.gz KSTMPXOPCBIYQK-LJQANCHMSA-N 0 3 403.527 0.481 20 0 HCADHN COCCN(CCOC)S(=O)(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000542846212 1080353604 /nfs/dbraw/zinc/35/36/04/1080353604.db2.gz KXNFYBUXYDJAQB-SFHVURJKSA-N 0 3 401.529 0.182 20 0 HCADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000542879292 1080377272 /nfs/dbraw/zinc/37/72/72/1080377272.db2.gz XNEJVKYLQKTTMU-MSOLQXFVSA-N 0 3 412.490 0.631 20 0 HCADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000542879295 1080377169 /nfs/dbraw/zinc/37/71/69/1080377169.db2.gz XNEJVKYLQKTTMU-QZTJIDSGSA-N 0 3 412.490 0.631 20 0 HCADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000542879298 1080377308 /nfs/dbraw/zinc/37/73/08/1080377308.db2.gz XNEJVKYLQKTTMU-ROUUACIJSA-N 0 3 412.490 0.631 20 0 HCADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000542879301 1080377190 /nfs/dbraw/zinc/37/71/90/1080377190.db2.gz XNEJVKYLQKTTMU-ZWKOTPCHSA-N 0 3 412.490 0.631 20 0 HCADHN CN(CCN1CCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC1)Cc1ccccc1 ZINC000542885468 1080432108 /nfs/dbraw/zinc/43/21/08/1080432108.db2.gz LBALMINZZXBRJT-UHFFFAOYSA-N 0 3 411.506 0.600 20 0 HCADHN Cc1cc(NC(=O)C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cn(C)c1=O ZINC000542887829 1080437119 /nfs/dbraw/zinc/43/71/19/1080437119.db2.gz DLIKDWMLPYVGKP-HOTGVXAUSA-N 0 3 404.511 0.980 20 0 HCADHN Cc1cc(NC(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cn(C)c1=O ZINC000542887834 1080437075 /nfs/dbraw/zinc/43/70/75/1080437075.db2.gz DLIKDWMLPYVGKP-HZPDHXFCSA-N 0 3 404.511 0.980 20 0 HCADHN Cc1cc(NC(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cn(C)c1=O ZINC000542887837 1080437184 /nfs/dbraw/zinc/43/71/84/1080437184.db2.gz DLIKDWMLPYVGKP-IYBDPMFKSA-N 0 3 404.511 0.980 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1)S(N)(=O)=O ZINC000542888512 1080439534 /nfs/dbraw/zinc/43/95/34/1080439534.db2.gz VZXLAXISHXCUOK-GFCCVEGCSA-N 0 3 404.920 0.023 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1)S(N)(=O)=O ZINC000542888518 1080439575 /nfs/dbraw/zinc/43/95/75/1080439575.db2.gz VZXLAXISHXCUOK-LBPRGKRZSA-N 0 3 404.920 0.023 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000542888672 1080438978 /nfs/dbraw/zinc/43/89/78/1080438978.db2.gz FGPXGQGOBXGQCB-UHFFFAOYSA-N 0 3 411.506 0.778 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC000542891794 1080448195 /nfs/dbraw/zinc/44/81/95/1080448195.db2.gz SRIXHKHXEKIAFG-MOPGFXCFSA-N 0 3 403.527 0.522 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC000542891795 1080447877 /nfs/dbraw/zinc/44/78/77/1080447877.db2.gz SRIXHKHXEKIAFG-OALUTQOASA-N 0 3 403.527 0.522 20 0 HCADHN CNC(=O)[C@H]1CN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC000542891796 1080447749 /nfs/dbraw/zinc/44/77/49/1080447749.db2.gz SRIXHKHXEKIAFG-RBUKOAKNSA-N 0 3 403.527 0.522 20 0 HCADHN CNC(=O)[C@H]1CN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC000542891797 1080448083 /nfs/dbraw/zinc/44/80/83/1080448083.db2.gz SRIXHKHXEKIAFG-RTBURBONSA-N 0 3 403.527 0.522 20 0 HCADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000542907241 1080474812 /nfs/dbraw/zinc/47/48/12/1080474812.db2.gz GYRLAPHITKHKSZ-INIZCTEOSA-N 0 3 406.508 0.762 20 0 HCADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000542907241 1080474803 /nfs/dbraw/zinc/47/48/03/1080474803.db2.gz GYRLAPHITKHKSZ-INIZCTEOSA-N 0 3 406.508 0.762 20 0 HCADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000542907254 1080474577 /nfs/dbraw/zinc/47/45/77/1080474577.db2.gz GYRLAPHITKHKSZ-MRXNPFEDSA-N 0 3 406.508 0.762 20 0 HCADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000542907254 1080474566 /nfs/dbraw/zinc/47/45/66/1080474566.db2.gz GYRLAPHITKHKSZ-MRXNPFEDSA-N 0 3 406.508 0.762 20 0 HCADHN Cn1c2ncn(CCN[C@H](CO)c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000542907671 1080472914 /nfs/dbraw/zinc/47/29/14/1080472914.db2.gz HKHATEVTHGSCFE-CYBMUJFWSA-N 0 3 422.283 0.519 20 0 HCADHN Cn1c2ncn(CCN[C@@H](CO)c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000542907675 1080472877 /nfs/dbraw/zinc/47/28/77/1080472877.db2.gz HKHATEVTHGSCFE-ZDUSSCGKSA-N 0 3 422.283 0.519 20 0 HCADHN Cn1ccnc1N1CCN(CC2(CN3CCN(c4nccn4C)CC3)COC2)CC1 ZINC000542929668 1080513624 /nfs/dbraw/zinc/51/36/24/1080513624.db2.gz GKCAICBVOKOWIA-UHFFFAOYSA-N 0 3 414.558 0.114 20 0 HCADHN CCN(C(=O)CN[C@H](CO)C(C)(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000542941953 1080534987 /nfs/dbraw/zinc/53/49/87/1080534987.db2.gz IAMFQRBSMVFAEJ-OAHLLOKOSA-N 0 3 417.510 0.929 20 0 HCADHN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@]1(CO)CCOC1 ZINC000542942134 1080538169 /nfs/dbraw/zinc/53/81/69/1080538169.db2.gz MOJXDMLXOZTVSL-GOSISDBHSA-N 0 3 400.497 0.170 20 0 HCADHN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@]1(CO)CCOC1 ZINC000542942135 1080538235 /nfs/dbraw/zinc/53/82/35/1080538235.db2.gz MOJXDMLXOZTVSL-SFHVURJKSA-N 0 3 400.497 0.170 20 0 HCADHN COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000542973677 1080596258 /nfs/dbraw/zinc/59/62/58/1080596258.db2.gz FKMDLBXMEYHMJL-UHFFFAOYSA-N 0 3 413.471 0.541 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)CC1 ZINC000542978145 1080607829 /nfs/dbraw/zinc/60/78/29/1080607829.db2.gz XKHVZUNWMBHFAY-UHFFFAOYSA-N 0 3 415.487 0.787 20 0 HCADHN COC(=O)c1cc(F)cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000542978797 1080619294 /nfs/dbraw/zinc/61/92/94/1080619294.db2.gz AWLXQXKOCBYXFI-GFCCVEGCSA-N 0 3 401.460 0.478 20 0 HCADHN COC(=O)c1cc(F)cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000542978798 1080619601 /nfs/dbraw/zinc/61/96/01/1080619601.db2.gz AWLXQXKOCBYXFI-LBPRGKRZSA-N 0 3 401.460 0.478 20 0 HCADHN CCN(CC)C(=O)CCC1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000542980341 1080636387 /nfs/dbraw/zinc/63/63/87/1080636387.db2.gz ILQRPVQQZMTNAG-UHFFFAOYSA-N 0 3 423.602 0.579 20 0 HCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC(CCCO)CC2)CC1 ZINC000542986489 1080686733 /nfs/dbraw/zinc/68/67/33/1080686733.db2.gz PGFPLDKOXGEXFH-UHFFFAOYSA-N 0 3 401.515 0.496 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000542998080 1080779793 /nfs/dbraw/zinc/77/97/93/1080779793.db2.gz IVPVRENEPFGMHP-UHFFFAOYSA-N 0 3 411.466 0.177 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000543002525 1080790002 /nfs/dbraw/zinc/79/00/02/1080790002.db2.gz DZEGHIZSLFDGHM-INIZCTEOSA-N 0 3 411.466 0.175 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000543002526 1080790074 /nfs/dbraw/zinc/79/00/74/1080790074.db2.gz DZEGHIZSLFDGHM-MRXNPFEDSA-N 0 3 411.466 0.175 20 0 HCADHN COc1ncncc1NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000543013376 1080814424 /nfs/dbraw/zinc/81/44/24/1080814424.db2.gz BAVHQHPZWUGGQK-GOSISDBHSA-N 0 3 412.494 0.919 20 0 HCADHN COc1ncncc1NC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000543013380 1080814504 /nfs/dbraw/zinc/81/45/04/1080814504.db2.gz BAVHQHPZWUGGQK-SFHVURJKSA-N 0 3 412.494 0.919 20 0 HCADHN C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)CN1CCN(C)CC1 ZINC000543043540 1080853270 /nfs/dbraw/zinc/85/32/70/1080853270.db2.gz ARELACDHCSPNHI-DLBZAZTESA-N 0 3 405.547 0.094 20 0 HCADHN C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)CN1CCN(C)CC1 ZINC000543043541 1080853407 /nfs/dbraw/zinc/85/34/07/1080853407.db2.gz ARELACDHCSPNHI-IAGOWNOFSA-N 0 3 405.547 0.094 20 0 HCADHN C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)CN1CCN(C)CC1 ZINC000543043542 1080853439 /nfs/dbraw/zinc/85/34/39/1080853439.db2.gz ARELACDHCSPNHI-IRXDYDNUSA-N 0 3 405.547 0.094 20 0 HCADHN C[C@H](CNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)CN1CCN(C)CC1 ZINC000543043543 1080853309 /nfs/dbraw/zinc/85/33/09/1080853309.db2.gz ARELACDHCSPNHI-SJORKVTESA-N 0 3 405.547 0.094 20 0 HCADHN Cc1cc(C)nc(N2CCN(C(=O)NCCCCN3CCN(CCO)CC3)CC2)n1 ZINC000543045210 1080857305 /nfs/dbraw/zinc/85/73/05/1080857305.db2.gz JPGZIRKMKJUERW-UHFFFAOYSA-N 0 3 419.574 0.315 20 0 HCADHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000543054866 1080862981 /nfs/dbraw/zinc/86/29/81/1080862981.db2.gz LRBDEAZHONMOKX-KRWDZBQOSA-N 0 3 412.494 0.728 20 0 HCADHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000543054867 1080862910 /nfs/dbraw/zinc/86/29/10/1080862910.db2.gz LRBDEAZHONMOKX-QGZVFWFLSA-N 0 3 412.494 0.728 20 0 HCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC(CCCn3ccnc3)CC2)CC1 ZINC000543060344 1080870797 /nfs/dbraw/zinc/87/07/97/1080870797.db2.gz CIMFUIVEJMWEKE-UHFFFAOYSA-N 0 3 404.559 0.608 20 0 HCADHN CC(=O)NC1CCC(N(C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000543171790 1081017263 /nfs/dbraw/zinc/01/72/63/1081017263.db2.gz HMYDFKWSNPBXRH-UHFFFAOYSA-N 0 3 410.540 0.372 20 0 HCADHN O=C(CN1CCN(C(=O)CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000543177230 1081020696 /nfs/dbraw/zinc/02/06/96/1081020696.db2.gz SJRSCMRNOHDKPP-IPELMVKDSA-N 0 3 404.486 0.611 20 0 HCADHN O=C(CN1CCN(C(=O)CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000543177235 1081020399 /nfs/dbraw/zinc/02/03/99/1081020399.db2.gz SJRSCMRNOHDKPP-KFKAGJAMSA-N 0 3 404.486 0.611 20 0 HCADHN O=C(CN1CCN(C(=O)CN2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000543177238 1081020472 /nfs/dbraw/zinc/02/04/72/1081020472.db2.gz SJRSCMRNOHDKPP-SNRMKQJTSA-N 0 3 404.486 0.611 20 0 HCADHN O=C(CN1CCN(C(=O)CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000543177241 1081020560 /nfs/dbraw/zinc/02/05/60/1081020560.db2.gz SJRSCMRNOHDKPP-ZYSHUDEJSA-N 0 3 404.486 0.611 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)cc21 ZINC000543216422 1081052476 /nfs/dbraw/zinc/05/24/76/1081052476.db2.gz SPKWREOCFUHPCF-BJJXKVORSA-N 0 3 402.451 0.324 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)cc21 ZINC000543216425 1081052492 /nfs/dbraw/zinc/05/24/92/1081052492.db2.gz SPKWREOCFUHPCF-DUVNUKRYSA-N 0 3 402.451 0.324 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cc21 ZINC000543216427 1081052400 /nfs/dbraw/zinc/05/24/00/1081052400.db2.gz SPKWREOCFUHPCF-JGGQBBKZSA-N 0 3 402.451 0.324 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)cc21 ZINC000543216429 1081052913 /nfs/dbraw/zinc/05/29/13/1081052913.db2.gz SPKWREOCFUHPCF-NOLJZWGESA-N 0 3 402.451 0.324 20 0 HCADHN CC(C)(C)n1cnc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000543221139 1081051088 /nfs/dbraw/zinc/05/10/88/1081051088.db2.gz HJCDGVLTEZGENJ-DLBZAZTESA-N 0 3 414.510 0.971 20 0 HCADHN CC(C)(C)n1cnc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000543221141 1081051012 /nfs/dbraw/zinc/05/10/12/1081051012.db2.gz HJCDGVLTEZGENJ-IAGOWNOFSA-N 0 3 414.510 0.971 20 0 HCADHN CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000543221143 1081051166 /nfs/dbraw/zinc/05/11/66/1081051166.db2.gz HJCDGVLTEZGENJ-IRXDYDNUSA-N 0 3 414.510 0.971 20 0 HCADHN CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000543221145 1081050964 /nfs/dbraw/zinc/05/09/64/1081050964.db2.gz HJCDGVLTEZGENJ-SJORKVTESA-N 0 3 414.510 0.971 20 0 HCADHN CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)N(C)C1CCS(=O)(=O)C1 ZINC000543229479 1081057519 /nfs/dbraw/zinc/05/75/19/1081057519.db2.gz IJBWHBCCLAPCOV-GFCCVEGCSA-N 0 3 406.468 0.505 20 0 HCADHN CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000543238128 1081060934 /nfs/dbraw/zinc/06/09/34/1081060934.db2.gz CQBXMQANHPWSIH-UHFFFAOYSA-N 0 3 414.514 0.613 20 0 HCADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000543241007 1081060392 /nfs/dbraw/zinc/06/03/92/1081060392.db2.gz YWNYHMILMSPXQR-HNNXBMFYSA-N 0 3 401.467 0.824 20 0 HCADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000543241040 1081060446 /nfs/dbraw/zinc/06/04/46/1081060446.db2.gz YWNYHMILMSPXQR-OAHLLOKOSA-N 0 3 401.467 0.824 20 0 HCADHN COC(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000543243879 1081063436 /nfs/dbraw/zinc/06/34/36/1081063436.db2.gz ATKICVAQTBJWFZ-CYBMUJFWSA-N 0 3 413.496 0.348 20 0 HCADHN COC(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1OC ZINC000543243889 1081063382 /nfs/dbraw/zinc/06/33/82/1081063382.db2.gz ATKICVAQTBJWFZ-ZDUSSCGKSA-N 0 3 413.496 0.348 20 0 HCADHN Cc1cccc([C@H]2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)c1 ZINC000543246487 1081063540 /nfs/dbraw/zinc/06/35/40/1081063540.db2.gz MLTAJQFXCMRTMC-NRFANRHFSA-N 0 3 414.550 0.787 20 0 HCADHN Cc1cccc([C@@H]2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)c1 ZINC000543246488 1081063266 /nfs/dbraw/zinc/06/32/66/1081063266.db2.gz MLTAJQFXCMRTMC-OAQYLSRUSA-N 0 3 414.550 0.787 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000543247468 1081066385 /nfs/dbraw/zinc/06/63/85/1081066385.db2.gz YRSNYAMRQHNWIT-UHFFFAOYSA-N 0 3 416.931 0.614 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000543264359 1081071449 /nfs/dbraw/zinc/07/14/49/1081071449.db2.gz ZWDWYOHQPWFUQW-UHFFFAOYSA-N 0 3 410.496 0.486 20 0 HCADHN COC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000543268133 1081076332 /nfs/dbraw/zinc/07/63/32/1081076332.db2.gz KVNGKKXBHWJIPY-PBHICJAKSA-N 0 3 418.494 0.859 20 0 HCADHN COC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000543268134 1081076371 /nfs/dbraw/zinc/07/63/71/1081076371.db2.gz KVNGKKXBHWJIPY-RHSMWYFYSA-N 0 3 418.494 0.859 20 0 HCADHN COC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000543268135 1081076210 /nfs/dbraw/zinc/07/62/10/1081076210.db2.gz KVNGKKXBHWJIPY-WMLDXEAASA-N 0 3 418.494 0.859 20 0 HCADHN COC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000543268136 1081076133 /nfs/dbraw/zinc/07/61/33/1081076133.db2.gz KVNGKKXBHWJIPY-YOEHRIQHSA-N 0 3 418.494 0.859 20 0 HCADHN Cc1ccnn1-c1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000543273985 1081077159 /nfs/dbraw/zinc/07/71/59/1081077159.db2.gz OHUHASITQNTYSO-IBGZPJMESA-N 0 3 424.505 0.884 20 0 HCADHN Cc1ccnn1-c1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000543273986 1081077094 /nfs/dbraw/zinc/07/70/94/1081077094.db2.gz OHUHASITQNTYSO-LJQANCHMSA-N 0 3 424.505 0.884 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)COCCNC(=O)c2ccccc2)CC1 ZINC000543288501 1081088794 /nfs/dbraw/zinc/08/87/94/1081088794.db2.gz XMEXENSHAXEAKI-UHFFFAOYSA-N 0 3 404.511 0.446 20 0 HCADHN O=C(COCCNC(=O)c1ccccc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000543291559 1081092843 /nfs/dbraw/zinc/09/28/43/1081092843.db2.gz MOYDCSHPWLZHAG-UHFFFAOYSA-N 0 3 402.495 0.200 20 0 HCADHN CN1CCN(Cc2ccc(C(=O)N3CCC(O)(CN4CCOCC4)CC3)cc2)CC1 ZINC000543295335 1081091042 /nfs/dbraw/zinc/09/10/42/1081091042.db2.gz CRYFZHHHAYYDSU-UHFFFAOYSA-N 0 3 416.566 0.733 20 0 HCADHN O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000543297113 1081097930 /nfs/dbraw/zinc/09/79/30/1081097930.db2.gz LAEQZWMJSBCQNJ-FQEVSTJZSA-N 0 3 402.539 0.979 20 0 HCADHN O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000543297114 1081097969 /nfs/dbraw/zinc/09/79/69/1081097969.db2.gz NDJLJSHNPGSUSU-NRFANRHFSA-N 0 3 417.550 0.870 20 0 HCADHN O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000543297116 1081097823 /nfs/dbraw/zinc/09/78/23/1081097823.db2.gz LAEQZWMJSBCQNJ-HXUWFJFHSA-N 0 3 402.539 0.979 20 0 HCADHN O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000543297117 1081098019 /nfs/dbraw/zinc/09/80/19/1081098019.db2.gz NDJLJSHNPGSUSU-OAQYLSRUSA-N 0 3 417.550 0.870 20 0 HCADHN CN1CCN(Cc2cccc(C(=O)N3CCC(O)(CN4CCOCC4)CC3)c2)CC1 ZINC000543298311 1081099387 /nfs/dbraw/zinc/09/93/87/1081099387.db2.gz ZZJZYJAVBXIPQJ-UHFFFAOYSA-N 0 3 416.566 0.733 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000543325372 1081111076 /nfs/dbraw/zinc/11/10/76/1081111076.db2.gz YOGIRWAYNJIQSU-UHFFFAOYSA-N 0 3 415.494 0.925 20 0 HCADHN CCOC(=O)c1ccc(N2CC(NC(=O)NCCCCN3CCN(C)CC3)C2)nc1 ZINC000543338405 1081118119 /nfs/dbraw/zinc/11/81/19/1081118119.db2.gz DNCIZRCJOLJVTB-UHFFFAOYSA-N 0 3 418.542 0.774 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000543342890 1081121764 /nfs/dbraw/zinc/12/17/64/1081121764.db2.gz OQSZHZLGGRHZSM-IBGZPJMESA-N 0 3 402.543 0.852 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000543342895 1081121536 /nfs/dbraw/zinc/12/15/36/1081121536.db2.gz OQSZHZLGGRHZSM-LJQANCHMSA-N 0 3 402.543 0.852 20 0 HCADHN CCOC(=O)c1ccc(N2CC(NC(=O)NC[C@@H]3CCCN3CCOC)C2)nc1 ZINC000543349273 1081126288 /nfs/dbraw/zinc/12/62/88/1081126288.db2.gz IFGGQXVTGSSEFV-KRWDZBQOSA-N 0 3 405.499 0.857 20 0 HCADHN CCOC(=O)c1ccc(N2CC(NC(=O)NC[C@H]3CCCN3CCOC)C2)nc1 ZINC000543349274 1081126416 /nfs/dbraw/zinc/12/64/16/1081126416.db2.gz IFGGQXVTGSSEFV-QGZVFWFLSA-N 0 3 405.499 0.857 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000543382196 1081155808 /nfs/dbraw/zinc/15/58/08/1081155808.db2.gz YHDSVMDIYDNOCO-GOSISDBHSA-N 0 3 414.510 0.527 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000543382199 1081155999 /nfs/dbraw/zinc/15/59/99/1081155999.db2.gz YHDSVMDIYDNOCO-SFHVURJKSA-N 0 3 414.510 0.527 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000543394679 1081168422 /nfs/dbraw/zinc/16/84/22/1081168422.db2.gz YAMKGUFQOONQBC-HNNXBMFYSA-N 0 3 414.915 0.366 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000543394680 1081168391 /nfs/dbraw/zinc/16/83/91/1081168391.db2.gz YAMKGUFQOONQBC-OAHLLOKOSA-N 0 3 414.915 0.366 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000543439200 1081223697 /nfs/dbraw/zinc/22/36/97/1081223697.db2.gz WWNUOZHHAPMOHR-IBGZPJMESA-N 0 3 408.568 0.782 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000543439201 1081223476 /nfs/dbraw/zinc/22/34/76/1081223476.db2.gz WWNUOZHHAPMOHR-LJQANCHMSA-N 0 3 408.568 0.782 20 0 HCADHN CCS(=O)(=O)N1CCC(CNC(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000543476393 1081248805 /nfs/dbraw/zinc/24/88/05/1081248805.db2.gz SEXUVOQKVGRMPQ-UHFFFAOYSA-N 0 3 403.593 0.375 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000543477002 1081248016 /nfs/dbraw/zinc/24/80/16/1081248016.db2.gz ZBLNWILKGGDPIE-KRWDZBQOSA-N 0 3 417.620 0.621 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000543477006 1081247801 /nfs/dbraw/zinc/24/78/01/1081247801.db2.gz ZBLNWILKGGDPIE-QGZVFWFLSA-N 0 3 417.620 0.621 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000543477250 1081247187 /nfs/dbraw/zinc/24/71/87/1081247187.db2.gz PGOANJRUYKHUFR-GOSISDBHSA-N 0 3 401.511 0.714 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000543477251 1081247369 /nfs/dbraw/zinc/24/73/69/1081247369.db2.gz PGOANJRUYKHUFR-SFHVURJKSA-N 0 3 401.511 0.714 20 0 HCADHN COc1c(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)cccc1C(N)=O ZINC000543924281 1078072353 /nfs/dbraw/zinc/07/23/53/1078072353.db2.gz LRFVSZBTDZIRPK-UHFFFAOYSA-N 0 3 406.483 0.738 20 0 HCADHN COc1ncncc1NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000543927098 1080455892 /nfs/dbraw/zinc/45/58/92/1080455892.db2.gz YRPUEZWYYGRCIT-UHFFFAOYSA-N 0 3 412.494 0.700 20 0 HCADHN CC(C)CN(C(=O)CNC(C)(C)CC(N)=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000544491278 1075872048 /nfs/dbraw/zinc/87/20/48/1075872048.db2.gz ZLCQMGFAXSYBAI-UHFFFAOYSA-N 0 3 410.519 0.420 20 0 HCADHN CCOC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cn1C ZINC000546878182 1075091987 /nfs/dbraw/zinc/09/19/87/1075091987.db2.gz IJDMXJCDVSLHGV-ZDUSSCGKSA-N 0 3 400.501 0.068 20 0 HCADHN CC(C)c1csc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000553149205 1078853261 /nfs/dbraw/zinc/85/32/61/1078853261.db2.gz ABEYHUHWAWFRJQ-HNNXBMFYSA-N 0 3 409.556 0.942 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCCc2ncc(C)cn2)CC1 ZINC000556052053 1078395239 /nfs/dbraw/zinc/39/52/39/1078395239.db2.gz CFDGCTGXKIJVRZ-UHFFFAOYSA-N 0 3 424.549 0.898 20 0 HCADHN CCN1CCN(c2ccc(CNC(=O)C(=O)N3CCCN(CC)CC3)cn2)CC1 ZINC000556052356 1078395634 /nfs/dbraw/zinc/39/56/34/1078395634.db2.gz GROQBYKREKIBIQ-UHFFFAOYSA-N 0 3 402.543 0.394 20 0 HCADHN CCN(C)C(=O)CNC(=O)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000556052367 1078395587 /nfs/dbraw/zinc/39/55/87/1078395587.db2.gz FMGRPFPHURFFSF-UHFFFAOYSA-N 0 3 403.527 0.035 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000556052938 1078395312 /nfs/dbraw/zinc/39/53/12/1078395312.db2.gz OESSIXFPZFVIJP-UHFFFAOYSA-N 0 3 412.481 0.526 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC000556054220 1078397279 /nfs/dbraw/zinc/39/72/79/1078397279.db2.gz FEPWRGDHUNHNSG-UHFFFAOYSA-N 0 3 411.510 0.074 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)cc2)CC1 ZINC000556054425 1078396874 /nfs/dbraw/zinc/39/68/74/1078396874.db2.gz BXUQOURWQWUTFG-FQEVSTJZSA-N 0 3 424.549 0.837 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)cc2)CC1 ZINC000556054426 1078396938 /nfs/dbraw/zinc/39/69/38/1078396938.db2.gz BXUQOURWQWUTFG-HXUWFJFHSA-N 0 3 424.549 0.837 20 0 HCADHN CCOCc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000556054524 1078396955 /nfs/dbraw/zinc/39/69/55/1078396955.db2.gz INSYCOKZTHZHOJ-IBGZPJMESA-N 0 3 416.522 0.604 20 0 HCADHN CCOCc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000556054528 1078396883 /nfs/dbraw/zinc/39/68/83/1078396883.db2.gz INSYCOKZTHZHOJ-LJQANCHMSA-N 0 3 416.522 0.604 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCC3([S@@](C)=O)CC3)cc2)CC1 ZINC000556055411 1078397597 /nfs/dbraw/zinc/39/75/97/1078397597.db2.gz VXTFFNXEZFMSKI-GDLZYMKVSA-N 0 3 420.579 0.468 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCC3([S@](C)=O)CC3)cc2)CC1 ZINC000556055413 1078397499 /nfs/dbraw/zinc/39/74/99/1078397499.db2.gz VXTFFNXEZFMSKI-LJAQVGFWSA-N 0 3 420.579 0.468 20 0 HCADHN CCN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C)[C@H](C(C)C)C3)cn2)CC1 ZINC000556055423 1078397590 /nfs/dbraw/zinc/39/75/90/1078397590.db2.gz WJTZZBDUPJARJW-IBGZPJMESA-N 0 3 416.570 0.638 20 0 HCADHN CCN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C)[C@@H](C(C)C)C3)cn2)CC1 ZINC000556055425 1078397558 /nfs/dbraw/zinc/39/75/58/1078397558.db2.gz WJTZZBDUPJARJW-LJQANCHMSA-N 0 3 416.570 0.638 20 0 HCADHN CCN1CCN(c2ccc(CNC(=O)C(=O)NCCCn3ccnc3C)cn2)CC1 ZINC000556055431 1078397524 /nfs/dbraw/zinc/39/75/24/1078397524.db2.gz RPZHLYLMGAEBIB-UHFFFAOYSA-N 0 3 413.526 0.551 20 0 HCADHN COCc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000556055557 1078397206 /nfs/dbraw/zinc/39/72/06/1078397206.db2.gz ZARGJBAAWRIEOM-GOSISDBHSA-N 0 3 402.495 0.214 20 0 HCADHN COCc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000556055558 1078397538 /nfs/dbraw/zinc/39/75/38/1078397538.db2.gz ZARGJBAAWRIEOM-SFHVURJKSA-N 0 3 402.495 0.214 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(COC)c2)CC1 ZINC000556055887 1078397180 /nfs/dbraw/zinc/39/71/80/1078397180.db2.gz GTVFAXRYBOHKJG-UHFFFAOYSA-N 0 3 404.511 0.462 20 0 HCADHN CCOCc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000556056529 1078397789 /nfs/dbraw/zinc/39/77/89/1078397789.db2.gz RTLYTTVOYMAUGZ-UHFFFAOYSA-N 0 3 416.522 0.606 20 0 HCADHN COCC[C@]1(NCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCOC1 ZINC000556058145 1078399064 /nfs/dbraw/zinc/39/90/64/1078399064.db2.gz UJLIGKCMRUYIHA-NRFANRHFSA-N 0 3 405.495 0.560 20 0 HCADHN COCC[C@@]1(NCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCOC1 ZINC000556058146 1078399086 /nfs/dbraw/zinc/39/90/86/1078399086.db2.gz UJLIGKCMRUYIHA-OAQYLSRUSA-N 0 3 405.495 0.560 20 0 HCADHN O=C(NC1CCN(Cc2ccncc2)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000556060330 1078403378 /nfs/dbraw/zinc/40/33/78/1078403378.db2.gz DISYCADVWYORHO-IBGZPJMESA-N 0 3 415.538 0.343 20 0 HCADHN O=C(NC1CCN(Cc2ccncc2)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000556060331 1078403522 /nfs/dbraw/zinc/40/35/22/1078403522.db2.gz DISYCADVWYORHO-LJQANCHMSA-N 0 3 415.538 0.343 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 ZINC000556062481 1078404319 /nfs/dbraw/zinc/40/43/19/1078404319.db2.gz BFVGLTYAQUOZGO-IBGZPJMESA-N 0 3 421.586 0.380 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 ZINC000556062482 1078404356 /nfs/dbraw/zinc/40/43/56/1078404356.db2.gz BFVGLTYAQUOZGO-LJQANCHMSA-N 0 3 421.586 0.380 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000556064508 1078405032 /nfs/dbraw/zinc/40/50/32/1078405032.db2.gz DSOUDQBGSCJUHE-KRWDZBQOSA-N 0 3 418.513 0.887 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000556064509 1078405101 /nfs/dbraw/zinc/40/51/01/1078405101.db2.gz DSOUDQBGSCJUHE-QGZVFWFLSA-N 0 3 418.513 0.887 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000556064642 1078405113 /nfs/dbraw/zinc/40/51/13/1078405113.db2.gz KQXBIBNHBJBTTG-GOSISDBHSA-N 0 3 401.511 0.537 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000556064643 1078405002 /nfs/dbraw/zinc/40/50/02/1078405002.db2.gz KQXBIBNHBJBTTG-SFHVURJKSA-N 0 3 401.511 0.537 20 0 HCADHN CCc1nsc(N2CCCN(C(=O)C(=O)NCCN3CCC[C@H](C)C3)CC2)n1 ZINC000556066114 1078400777 /nfs/dbraw/zinc/40/07/77/1078400777.db2.gz WHTOVSVTLLTXBF-HNNXBMFYSA-N 0 3 408.572 0.987 20 0 HCADHN CCc1nsc(N2CCCN(C(=O)C(=O)NCCN3CCC[C@@H](C)C3)CC2)n1 ZINC000556066115 1078400699 /nfs/dbraw/zinc/40/06/99/1078400699.db2.gz WHTOVSVTLLTXBF-OAHLLOKOSA-N 0 3 408.572 0.987 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000556066980 1078400483 /nfs/dbraw/zinc/40/04/83/1078400483.db2.gz VCZAMZSTVCSOHV-DLBZAZTESA-N 0 3 423.583 0.526 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000556066981 1078400371 /nfs/dbraw/zinc/40/03/71/1078400371.db2.gz VCZAMZSTVCSOHV-IAGOWNOFSA-N 0 3 423.583 0.526 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000556066982 1078400432 /nfs/dbraw/zinc/40/04/32/1078400432.db2.gz VCZAMZSTVCSOHV-IRXDYDNUSA-N 0 3 423.583 0.526 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000556066983 1078400515 /nfs/dbraw/zinc/40/05/15/1078400515.db2.gz VCZAMZSTVCSOHV-SJORKVTESA-N 0 3 423.583 0.526 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N(C)c1ccccc1 ZINC000556068338 1078402219 /nfs/dbraw/zinc/40/22/19/1078402219.db2.gz BOYFBRIRZIMGCF-HKUYNNGSSA-N 0 3 415.538 0.393 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N(C)c1ccccc1 ZINC000556068339 1078402058 /nfs/dbraw/zinc/40/20/58/1078402058.db2.gz BOYFBRIRZIMGCF-IEBWSBKVSA-N 0 3 415.538 0.393 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N(C)c1ccccc1 ZINC000556068340 1078402130 /nfs/dbraw/zinc/40/21/30/1078402130.db2.gz BOYFBRIRZIMGCF-MJGOQNOKSA-N 0 3 415.538 0.393 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N(C)c1ccccc1 ZINC000556068341 1078402244 /nfs/dbraw/zinc/40/22/44/1078402244.db2.gz BOYFBRIRZIMGCF-PKOBYXMFSA-N 0 3 415.538 0.393 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000556068501 1078402165 /nfs/dbraw/zinc/40/21/65/1078402165.db2.gz DFKAJROYXMXJFJ-GOSISDBHSA-N 0 3 421.586 0.428 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000556068502 1078402262 /nfs/dbraw/zinc/40/22/62/1078402262.db2.gz DFKAJROYXMXJFJ-SFHVURJKSA-N 0 3 421.586 0.428 20 0 HCADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)C2)CC1 ZINC000556069719 1078402671 /nfs/dbraw/zinc/40/26/71/1078402671.db2.gz FAMUQQTYVVMGHH-PMACEKPBSA-N 0 3 419.545 0.783 20 0 HCADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)C2)CC1 ZINC000556069724 1078402700 /nfs/dbraw/zinc/40/27/00/1078402700.db2.gz FAMUQQTYVVMGHH-UXHICEINSA-N 0 3 419.545 0.783 20 0 HCADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)C2)CC1 ZINC000556069726 1078402641 /nfs/dbraw/zinc/40/26/41/1078402641.db2.gz FAMUQQTYVVMGHH-VQTJNVASSA-N 0 3 419.545 0.783 20 0 HCADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)C2)CC1 ZINC000556069728 1078402619 /nfs/dbraw/zinc/40/26/19/1078402619.db2.gz FAMUQQTYVVMGHH-WOJBJXKFSA-N 0 3 419.545 0.783 20 0 HCADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 ZINC000556070928 1078401581 /nfs/dbraw/zinc/40/15/81/1078401581.db2.gz MOPQSPZQIIZNBZ-INIZCTEOSA-N 0 3 409.556 0.136 20 0 HCADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)CC1 ZINC000556070930 1078401793 /nfs/dbraw/zinc/40/17/93/1078401793.db2.gz MOPQSPZQIIZNBZ-MRXNPFEDSA-N 0 3 409.556 0.136 20 0 HCADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCCN2CCC(C)CC2)c1 ZINC000556071359 1078407750 /nfs/dbraw/zinc/40/77/50/1078407750.db2.gz SOGQUXUGTVFDBI-HNNXBMFYSA-N 0 3 410.540 0.620 20 0 HCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCCN2CCC(C)CC2)c1 ZINC000556071360 1078407697 /nfs/dbraw/zinc/40/76/97/1078407697.db2.gz SOGQUXUGTVFDBI-OAHLLOKOSA-N 0 3 410.540 0.620 20 0 HCADHN Cc1nccn1CCCNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000556071499 1078407349 /nfs/dbraw/zinc/40/73/49/1078407349.db2.gz ADAQVVYJDJLBRM-UHFFFAOYSA-N 0 3 420.558 0.441 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000556074364 1078410618 /nfs/dbraw/zinc/41/06/18/1078410618.db2.gz FDUGTITUKWIBTL-IBGZPJMESA-N 0 3 415.538 0.177 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000556074365 1078410539 /nfs/dbraw/zinc/41/05/39/1078410539.db2.gz FDUGTITUKWIBTL-LJQANCHMSA-N 0 3 415.538 0.177 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000556074841 1078410002 /nfs/dbraw/zinc/41/00/02/1078410002.db2.gz LXTASHXRYKSYFI-JOCHJYFZSA-N 0 3 402.539 0.983 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000556074842 1078410035 /nfs/dbraw/zinc/41/00/35/1078410035.db2.gz LXTASHXRYKSYFI-QFIPXVFZSA-N 0 3 402.539 0.983 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)CC2(CO)CC2)CC1 ZINC000556074850 1078410210 /nfs/dbraw/zinc/41/02/10/1078410210.db2.gz MDGCXQGMUGAHKL-UHFFFAOYSA-N 0 3 402.539 0.671 20 0 HCADHN CCN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(CC4CC4)CC3)cn2)CC1 ZINC000556076029 1078411332 /nfs/dbraw/zinc/41/13/32/1078411332.db2.gz LWRKIZDIMPOMLK-UHFFFAOYSA-N 0 3 414.554 0.394 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000556076300 1078411969 /nfs/dbraw/zinc/41/19/69/1078411969.db2.gz KAJYNWSWPKPFOE-IBGZPJMESA-N 0 3 420.579 0.708 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000556076301 1078411931 /nfs/dbraw/zinc/41/19/31/1078411931.db2.gz KAJYNWSWPKPFOE-LJQANCHMSA-N 0 3 420.579 0.708 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccncc3)CC2)CCN1CC(C)(C)O ZINC000556076388 1078411949 /nfs/dbraw/zinc/41/19/49/1078411949.db2.gz QVQLSTZXOSKWLZ-KRWDZBQOSA-N 0 3 417.554 0.466 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccncc3)CC2)CCN1CC(C)(C)O ZINC000556076389 1078412020 /nfs/dbraw/zinc/41/20/20/1078412020.db2.gz QVQLSTZXOSKWLZ-QGZVFWFLSA-N 0 3 417.554 0.466 20 0 HCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556079697 1078414287 /nfs/dbraw/zinc/41/42/87/1078414287.db2.gz YBIJYDWRYCHCRR-KURKYZTESA-N 0 3 410.559 0.171 20 0 HCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000556079698 1078414318 /nfs/dbraw/zinc/41/43/18/1078414318.db2.gz YBIJYDWRYCHCRR-KZNAEPCWSA-N 0 3 410.559 0.171 20 0 HCADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556079699 1078414221 /nfs/dbraw/zinc/41/42/21/1078414221.db2.gz YBIJYDWRYCHCRR-OKZBNKHCSA-N 0 3 410.559 0.171 20 0 HCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000556079700 1078414261 /nfs/dbraw/zinc/41/42/61/1078414261.db2.gz YBIJYDWRYCHCRR-SQNIBIBYSA-N 0 3 410.559 0.171 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC000556080263 1078419612 /nfs/dbraw/zinc/41/96/12/1078419612.db2.gz AMBRWUIOTWBVHE-UHFFFAOYSA-N 0 3 402.451 0.373 20 0 HCADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000556082979 1078421499 /nfs/dbraw/zinc/42/14/99/1078421499.db2.gz GIVVLWVHGDKNQZ-MOPGFXCFSA-N 0 3 416.570 0.556 20 0 HCADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000556082982 1078421585 /nfs/dbraw/zinc/42/15/85/1078421585.db2.gz GIVVLWVHGDKNQZ-OALUTQOASA-N 0 3 416.570 0.556 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000556082984 1078421549 /nfs/dbraw/zinc/42/15/49/1078421549.db2.gz GIVVLWVHGDKNQZ-RBUKOAKNSA-N 0 3 416.570 0.556 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000556082986 1078421628 /nfs/dbraw/zinc/42/16/28/1078421628.db2.gz GIVVLWVHGDKNQZ-RTBURBONSA-N 0 3 416.570 0.556 20 0 HCADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cn1 ZINC000556083024 1078421935 /nfs/dbraw/zinc/42/19/35/1078421935.db2.gz HJKPXPAPELDQOR-KYJSFNMBSA-N 0 3 404.515 0.187 20 0 HCADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cn1 ZINC000556083026 1078421848 /nfs/dbraw/zinc/42/18/48/1078421848.db2.gz HJKPXPAPELDQOR-LESCRADOSA-N 0 3 404.515 0.187 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000556084324 1078424136 /nfs/dbraw/zinc/42/41/36/1078424136.db2.gz LEKBINPXKSWXCR-GOSISDBHSA-N 0 3 415.538 0.300 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000556084326 1078424113 /nfs/dbraw/zinc/42/41/13/1078424113.db2.gz LEKBINPXKSWXCR-SFHVURJKSA-N 0 3 415.538 0.300 20 0 HCADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C1=O ZINC000556085154 1078415509 /nfs/dbraw/zinc/41/55/09/1078415509.db2.gz MEPKNIXNGJXQHY-INIZCTEOSA-N 0 3 404.515 0.363 20 0 HCADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C1=O ZINC000556085156 1078415547 /nfs/dbraw/zinc/41/55/47/1078415547.db2.gz MEPKNIXNGJXQHY-MRXNPFEDSA-N 0 3 404.515 0.363 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)C1 ZINC000556085754 1078414845 /nfs/dbraw/zinc/41/48/45/1078414845.db2.gz XXSDRQCNIKNMNN-HNNXBMFYSA-N 0 3 412.485 0.771 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)C1 ZINC000556085755 1078414901 /nfs/dbraw/zinc/41/49/01/1078414901.db2.gz XXSDRQCNIKNMNN-OAHLLOKOSA-N 0 3 412.485 0.771 20 0 HCADHN CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCCN3CCC[C@@H](C)C3)C2)ncn1 ZINC000556085905 1078414439 /nfs/dbraw/zinc/41/44/39/1078414439.db2.gz XRFNHWSGAPOSIY-AEFFLSMTSA-N 0 3 402.543 0.972 20 0 HCADHN CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CCC[C@H](C)C3)C2)ncn1 ZINC000556085906 1078414510 /nfs/dbraw/zinc/41/45/10/1078414510.db2.gz XRFNHWSGAPOSIY-FUHWJXTLSA-N 0 3 402.543 0.972 20 0 HCADHN CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CCC[C@@H](C)C3)C2)ncn1 ZINC000556085907 1078414566 /nfs/dbraw/zinc/41/45/66/1078414566.db2.gz XRFNHWSGAPOSIY-SJLPKXTDSA-N 0 3 402.543 0.972 20 0 HCADHN CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCCN3CCC[C@H](C)C3)C2)ncn1 ZINC000556085908 1078414493 /nfs/dbraw/zinc/41/44/93/1078414493.db2.gz XRFNHWSGAPOSIY-WMZOPIPTSA-N 0 3 402.543 0.972 20 0 HCADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000556085969 1078424410 /nfs/dbraw/zinc/42/44/10/1078424410.db2.gz ZSLVDBQGXLRAMT-CABCVRRESA-N 0 3 410.540 0.620 20 0 HCADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000556085970 1078424417 /nfs/dbraw/zinc/42/44/17/1078424417.db2.gz ZSLVDBQGXLRAMT-GJZGRUSLSA-N 0 3 410.540 0.620 20 0 HCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000556085971 1078424449 /nfs/dbraw/zinc/42/44/49/1078424449.db2.gz ZSLVDBQGXLRAMT-HUUCEWRRSA-N 0 3 410.540 0.620 20 0 HCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000556085972 1078424425 /nfs/dbraw/zinc/42/44/25/1078424425.db2.gz ZSLVDBQGXLRAMT-LSDHHAIUSA-N 0 3 410.540 0.620 20 0 HCADHN COc1ccnc(N2CCN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CC2)c1 ZINC000556087052 1078416650 /nfs/dbraw/zinc/41/66/50/1078416650.db2.gz JRELUJMJACVWER-UHFFFAOYSA-N 0 3 423.517 0.913 20 0 HCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000556087844 1078416502 /nfs/dbraw/zinc/41/65/02/1078416502.db2.gz CFXOHUUJQMHZMN-UHFFFAOYSA-N 0 3 415.469 0.657 20 0 HCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000556088067 1078417338 /nfs/dbraw/zinc/41/73/38/1078417338.db2.gz DSJBIPZEKWMFSQ-UHFFFAOYSA-N 0 3 415.469 0.657 20 0 HCADHN CC(C)NS(=O)(=O)N1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000556088708 1078417948 /nfs/dbraw/zinc/41/79/48/1078417948.db2.gz OADZCWVAFORWHO-GOSISDBHSA-N 0 3 411.572 0.266 20 0 HCADHN CC(C)NS(=O)(=O)N1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000556088709 1078417936 /nfs/dbraw/zinc/41/79/36/1078417936.db2.gz OADZCWVAFORWHO-SFHVURJKSA-N 0 3 411.572 0.266 20 0 HCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000556089037 1078418321 /nfs/dbraw/zinc/41/83/21/1078418321.db2.gz SWZDEVYMNLCMDS-UHFFFAOYSA-N 0 3 415.469 0.657 20 0 HCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC000556093146 1078425882 /nfs/dbraw/zinc/42/58/82/1078425882.db2.gz BLARKXUQFFIVEO-UHFFFAOYSA-N 0 3 417.554 0.166 20 0 HCADHN CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100873 1078434531 /nfs/dbraw/zinc/43/45/31/1078434531.db2.gz JUKYIZJVJIUFIV-LEWJYISDSA-N 0 3 415.582 0.890 20 0 HCADHN CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100876 1078434251 /nfs/dbraw/zinc/43/42/51/1078434251.db2.gz JUKYIZJVJIUFIV-NHCUHLMSSA-N 0 3 415.582 0.890 20 0 HCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100878 1078434346 /nfs/dbraw/zinc/43/43/46/1078434346.db2.gz JUKYIZJVJIUFIV-RTWAWAEBSA-N 0 3 415.582 0.890 20 0 HCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100879 1078434545 /nfs/dbraw/zinc/43/45/45/1078434545.db2.gz JUKYIZJVJIUFIV-SFTDATJTSA-N 0 3 415.582 0.890 20 0 HCADHN Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)n[nH]1 ZINC000556100880 1078434393 /nfs/dbraw/zinc/43/43/93/1078434393.db2.gz JXERRUAYIVKFGK-JXFKEZNVSA-N 0 3 412.538 0.870 20 0 HCADHN Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)n[nH]1 ZINC000556100881 1078434286 /nfs/dbraw/zinc/43/42/86/1078434286.db2.gz JXERRUAYIVKFGK-OXJNMPFZSA-N 0 3 412.538 0.870 20 0 HCADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)n[nH]1 ZINC000556100883 1078434487 /nfs/dbraw/zinc/43/44/87/1078434487.db2.gz JXERRUAYIVKFGK-OXQOHEQNSA-N 0 3 412.538 0.870 20 0 HCADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)n[nH]1 ZINC000556100885 1078434311 /nfs/dbraw/zinc/43/43/11/1078434311.db2.gz JXERRUAYIVKFGK-UZLBHIALSA-N 0 3 412.538 0.870 20 0 HCADHN CN(C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000556101772 1078435364 /nfs/dbraw/zinc/43/53/64/1078435364.db2.gz XLNIISHOZFFOLR-LEWJYISDSA-N 0 3 413.566 0.786 20 0 HCADHN CN(C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000556101773 1078435455 /nfs/dbraw/zinc/43/54/55/1078435455.db2.gz XLNIISHOZFFOLR-NHCUHLMSSA-N 0 3 413.566 0.786 20 0 HCADHN CN(C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000556101774 1078435509 /nfs/dbraw/zinc/43/55/09/1078435509.db2.gz XLNIISHOZFFOLR-RTWAWAEBSA-N 0 3 413.566 0.786 20 0 HCADHN CN(C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000556101775 1078435275 /nfs/dbraw/zinc/43/52/75/1078435275.db2.gz XLNIISHOZFFOLR-SFTDATJTSA-N 0 3 413.566 0.786 20 0 HCADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000556104298 1078431005 /nfs/dbraw/zinc/43/10/05/1078431005.db2.gz RDMZOYKPEPLYJX-UHFFFAOYSA-N 0 3 405.430 0.875 20 0 HCADHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000556106793 1078439618 /nfs/dbraw/zinc/43/96/18/1078439618.db2.gz SEMPWZZFCKTZMN-MSOLQXFVSA-N 0 3 416.522 0.288 20 0 HCADHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000556106794 1078439573 /nfs/dbraw/zinc/43/95/73/1078439573.db2.gz SEMPWZZFCKTZMN-QZTJIDSGSA-N 0 3 416.522 0.288 20 0 HCADHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000556106795 1078439682 /nfs/dbraw/zinc/43/96/82/1078439682.db2.gz SEMPWZZFCKTZMN-ROUUACIJSA-N 0 3 416.522 0.288 20 0 HCADHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000556106796 1078439642 /nfs/dbraw/zinc/43/96/42/1078439642.db2.gz SEMPWZZFCKTZMN-ZWKOTPCHSA-N 0 3 416.522 0.288 20 0 HCADHN CCOCCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000556107297 1078440844 /nfs/dbraw/zinc/44/08/44/1078440844.db2.gz FGLJOBNWKWCXPF-KRWDZBQOSA-N 0 3 410.559 0.758 20 0 HCADHN CCOCCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000556107298 1078440912 /nfs/dbraw/zinc/44/09/12/1078440912.db2.gz FGLJOBNWKWCXPF-QGZVFWFLSA-N 0 3 410.559 0.758 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000556107720 1078440176 /nfs/dbraw/zinc/44/01/76/1078440176.db2.gz GJLODBPVRWYMOP-KRWDZBQOSA-N 0 3 424.567 0.722 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000556107722 1078440157 /nfs/dbraw/zinc/44/01/57/1078440157.db2.gz GJLODBPVRWYMOP-QGZVFWFLSA-N 0 3 424.567 0.722 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000556107801 1078440130 /nfs/dbraw/zinc/44/01/30/1078440130.db2.gz ICIUOMAZVDNWSO-GOSISDBHSA-N 0 3 421.586 0.380 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000556107802 1078440069 /nfs/dbraw/zinc/44/00/69/1078440069.db2.gz ICIUOMAZVDNWSO-SFHVURJKSA-N 0 3 421.586 0.380 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000556108730 1078441699 /nfs/dbraw/zinc/44/16/99/1078441699.db2.gz BHEZASLJXPHIRT-AEFFLSMTSA-N 0 3 401.511 0.679 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000556108731 1078441725 /nfs/dbraw/zinc/44/17/25/1078441725.db2.gz BHEZASLJXPHIRT-FUHWJXTLSA-N 0 3 401.511 0.679 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000556108732 1078441719 /nfs/dbraw/zinc/44/17/19/1078441719.db2.gz BHEZASLJXPHIRT-SJLPKXTDSA-N 0 3 401.511 0.679 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000556108733 1078441653 /nfs/dbraw/zinc/44/16/53/1078441653.db2.gz BHEZASLJXPHIRT-WMZOPIPTSA-N 0 3 401.511 0.679 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000556109187 1078442901 /nfs/dbraw/zinc/44/29/01/1078442901.db2.gz XITFYHJEVKNCSN-MOPGFXCFSA-N 0 3 421.586 0.522 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000556109188 1078442813 /nfs/dbraw/zinc/44/28/13/1078442813.db2.gz XITFYHJEVKNCSN-OALUTQOASA-N 0 3 421.586 0.522 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000556109189 1078443184 /nfs/dbraw/zinc/44/31/84/1078443184.db2.gz XITFYHJEVKNCSN-RBUKOAKNSA-N 0 3 421.586 0.522 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000556109190 1078443163 /nfs/dbraw/zinc/44/31/63/1078443163.db2.gz XITFYHJEVKNCSN-RTBURBONSA-N 0 3 421.586 0.522 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000556109547 1078442583 /nfs/dbraw/zinc/44/25/83/1078442583.db2.gz CDRRHZKPWYYTRH-CVEARBPZSA-N 0 3 414.514 0.152 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000556109549 1078442591 /nfs/dbraw/zinc/44/25/91/1078442591.db2.gz CDRRHZKPWYYTRH-HOTGVXAUSA-N 0 3 414.514 0.152 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000556109552 1078442612 /nfs/dbraw/zinc/44/26/12/1078442612.db2.gz CDRRHZKPWYYTRH-HZPDHXFCSA-N 0 3 414.514 0.152 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000556109554 1078442569 /nfs/dbraw/zinc/44/25/69/1078442569.db2.gz CDRRHZKPWYYTRH-JKSUJKDBSA-N 0 3 414.514 0.152 20 0 HCADHN O=C(NCC1(N2CCOCC2)CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000556110368 1078443815 /nfs/dbraw/zinc/44/38/15/1078443815.db2.gz SKENUCRSOVRFKI-IBGZPJMESA-N 0 3 400.523 0.921 20 0 HCADHN O=C(NCC1(N2CCOCC2)CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000556110370 1078443853 /nfs/dbraw/zinc/44/38/53/1078443853.db2.gz SKENUCRSOVRFKI-LJQANCHMSA-N 0 3 400.523 0.921 20 0 HCADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cn1 ZINC000556110413 1078444032 /nfs/dbraw/zinc/44/40/32/1078444032.db2.gz SOQSWUQIJBKDKG-KYJSFNMBSA-N 0 3 404.515 0.330 20 0 HCADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cn1 ZINC000556110414 1078444027 /nfs/dbraw/zinc/44/40/27/1078444027.db2.gz SOQSWUQIJBKDKG-LESCRADOSA-N 0 3 404.515 0.330 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000556110690 1078443807 /nfs/dbraw/zinc/44/38/07/1078443807.db2.gz XFYIFQDILZSHLW-GOSISDBHSA-N 0 3 415.538 0.760 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000556110693 1078443743 /nfs/dbraw/zinc/44/37/43/1078443743.db2.gz XFYIFQDILZSHLW-SFHVURJKSA-N 0 3 415.538 0.760 20 0 HCADHN COc1cccc(N2C[C@@H](NC(=O)C(=O)N[C@H](C)CN3CCCCC3)CC2=O)c1 ZINC000556111372 1078444629 /nfs/dbraw/zinc/44/46/29/1078444629.db2.gz FCMFEBAESRMCKR-CVEARBPZSA-N 0 3 402.495 0.907 20 0 HCADHN COc1cccc(N2C[C@@H](NC(=O)C(=O)N[C@@H](C)CN3CCCCC3)CC2=O)c1 ZINC000556111373 1078444672 /nfs/dbraw/zinc/44/46/72/1078444672.db2.gz FCMFEBAESRMCKR-HOTGVXAUSA-N 0 3 402.495 0.907 20 0 HCADHN COc1cccc(N2C[C@H](NC(=O)C(=O)N[C@H](C)CN3CCCCC3)CC2=O)c1 ZINC000556111374 1078444693 /nfs/dbraw/zinc/44/46/93/1078444693.db2.gz FCMFEBAESRMCKR-HZPDHXFCSA-N 0 3 402.495 0.907 20 0 HCADHN COc1cccc(N2C[C@H](NC(=O)C(=O)N[C@@H](C)CN3CCCCC3)CC2=O)c1 ZINC000556111375 1078444587 /nfs/dbraw/zinc/44/45/87/1078444587.db2.gz FCMFEBAESRMCKR-JKSUJKDBSA-N 0 3 402.495 0.907 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000556111421 1078444637 /nfs/dbraw/zinc/44/46/37/1078444637.db2.gz GJRCNZNRGIWOSQ-IBGZPJMESA-N 0 3 421.586 0.524 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000556111422 1078445052 /nfs/dbraw/zinc/44/50/52/1078445052.db2.gz GJRCNZNRGIWOSQ-LJQANCHMSA-N 0 3 421.586 0.524 20 0 HCADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000556112058 1078445088 /nfs/dbraw/zinc/44/50/88/1078445088.db2.gz VSJREMHXKQKGCX-KRWDZBQOSA-N 0 3 418.538 0.096 20 0 HCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000556112060 1078445375 /nfs/dbraw/zinc/44/53/75/1078445375.db2.gz VSJREMHXKQKGCX-QGZVFWFLSA-N 0 3 418.538 0.096 20 0 HCADHN CN(Cc1cnccn1)C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000556112124 1078445679 /nfs/dbraw/zinc/44/56/79/1078445679.db2.gz AQKUZLCWHWQPLX-UHFFFAOYSA-N 0 3 410.522 0.759 20 0 HCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556112646 1078445302 /nfs/dbraw/zinc/44/53/02/1078445302.db2.gz HMFJXRGUZKWMOM-UHFFFAOYSA-N 0 3 400.479 0.945 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000556112712 1078445340 /nfs/dbraw/zinc/44/53/40/1078445340.db2.gz DOTNXSYLFKSIJJ-KDURUIRLSA-N 0 3 402.539 0.946 20 0 HCADHN COC1(CNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000556113462 1078446759 /nfs/dbraw/zinc/44/67/59/1078446759.db2.gz JYLXCPQWGXIKIU-UHFFFAOYSA-N 0 3 402.539 0.996 20 0 HCADHN C[C@H](O)CN(C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[C@@H](C)CO ZINC000556113578 1078446324 /nfs/dbraw/zinc/44/63/24/1078446324.db2.gz KNKBSFDXYDTUKC-BJLQDIEVSA-N 0 3 420.554 0.072 20 0 HCADHN C[C@H](O)CN(C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@@H](C)CO ZINC000556113579 1078446243 /nfs/dbraw/zinc/44/62/43/1078446243.db2.gz KNKBSFDXYDTUKC-CMKODMSKSA-N 0 3 420.554 0.072 20 0 HCADHN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000556113580 1078446273 /nfs/dbraw/zinc/44/62/73/1078446273.db2.gz KNKBSFDXYDTUKC-HBFSDRIKSA-N 0 3 420.554 0.072 20 0 HCADHN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000556113582 1078446291 /nfs/dbraw/zinc/44/62/91/1078446291.db2.gz KNKBSFDXYDTUKC-WSTZPKSXSA-N 0 3 420.554 0.072 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000556114026 1078445651 /nfs/dbraw/zinc/44/56/51/1078445651.db2.gz YZDORNJMTQIDOJ-CVEARBPZSA-N 0 3 402.561 0.297 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000556114028 1078445622 /nfs/dbraw/zinc/44/56/22/1078445622.db2.gz YZDORNJMTQIDOJ-HOTGVXAUSA-N 0 3 402.561 0.297 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000556114029 1078446006 /nfs/dbraw/zinc/44/60/06/1078446006.db2.gz YZDORNJMTQIDOJ-HZPDHXFCSA-N 0 3 402.561 0.297 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000556114031 1078445919 /nfs/dbraw/zinc/44/59/19/1078445919.db2.gz YZDORNJMTQIDOJ-JKSUJKDBSA-N 0 3 402.561 0.297 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C[C@@H](CO)O1 ZINC000556114047 1078446034 /nfs/dbraw/zinc/44/60/34/1078446034.db2.gz RCYOWEFXTOVTRZ-HOJAQTOUSA-N 0 3 418.538 0.090 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C[C@H](CO)O1 ZINC000556114048 1078445997 /nfs/dbraw/zinc/44/59/97/1078445997.db2.gz RCYOWEFXTOVTRZ-MISYRCLQSA-N 0 3 418.538 0.090 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C[C@H](CO)O1 ZINC000556114049 1078446055 /nfs/dbraw/zinc/44/60/55/1078446055.db2.gz RCYOWEFXTOVTRZ-RLLQIKCJSA-N 0 3 418.538 0.090 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C[C@@H](CO)O1 ZINC000556114050 1078446084 /nfs/dbraw/zinc/44/60/84/1078446084.db2.gz RCYOWEFXTOVTRZ-YZGWKJHDSA-N 0 3 418.538 0.090 20 0 HCADHN Cn1ccc(CCNC(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000556114213 1078449489 /nfs/dbraw/zinc/44/94/89/1078449489.db2.gz ABXWKHFFZTUGLR-FQEVSTJZSA-N 0 3 412.538 0.574 20 0 HCADHN Cn1ccc(CCNC(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000556114214 1078449935 /nfs/dbraw/zinc/44/99/35/1078449935.db2.gz ABXWKHFFZTUGLR-HXUWFJFHSA-N 0 3 412.538 0.574 20 0 HCADHN C[S@@](=O)C1(CNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000556114331 1078438734 /nfs/dbraw/zinc/43/87/34/1078438734.db2.gz VKPSLHJMLIFCER-GDLZYMKVSA-N 0 3 420.579 0.338 20 0 HCADHN C[S@](=O)C1(CNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000556114332 1078438784 /nfs/dbraw/zinc/43/87/84/1078438784.db2.gz VKPSLHJMLIFCER-LJAQVGFWSA-N 0 3 420.579 0.338 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000556114334 1078438942 /nfs/dbraw/zinc/43/89/42/1078438942.db2.gz VMRUTWDWVSCXRB-FQEVSTJZSA-N 0 3 424.549 0.707 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000556114335 1078438858 /nfs/dbraw/zinc/43/88/58/1078438858.db2.gz VMRUTWDWVSCXRB-HXUWFJFHSA-N 0 3 424.549 0.707 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NCC1CCOCC1 ZINC000556114410 1078449663 /nfs/dbraw/zinc/44/96/63/1078449663.db2.gz CSWZUTVLKSGDNU-UHFFFAOYSA-N 0 3 402.539 0.853 20 0 HCADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000556114525 1078438532 /nfs/dbraw/zinc/43/85/32/1078438532.db2.gz XXYBDUJACPWHFY-KRWDZBQOSA-N 0 3 422.551 0.688 20 0 HCADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000556114526 1078438493 /nfs/dbraw/zinc/43/84/93/1078438493.db2.gz XXYBDUJACPWHFY-QGZVFWFLSA-N 0 3 422.551 0.688 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)NC[C@@H]2COCCO2)[C@H](c2ccccc2)C1 ZINC000556114644 1078438177 /nfs/dbraw/zinc/43/81/77/1078438177.db2.gz HGYHZNKMZGXFHL-MOPGFXCFSA-N 0 3 404.511 0.013 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)NC[C@H]2COCCO2)[C@H](c2ccccc2)C1 ZINC000556114645 1078438164 /nfs/dbraw/zinc/43/81/64/1078438164.db2.gz HGYHZNKMZGXFHL-OALUTQOASA-N 0 3 404.511 0.013 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)NC[C@H]2COCCO2)[C@@H](c2ccccc2)C1 ZINC000556114646 1078438449 /nfs/dbraw/zinc/43/84/49/1078438449.db2.gz HGYHZNKMZGXFHL-RBUKOAKNSA-N 0 3 404.511 0.013 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)NC[C@@H]2COCCO2)[C@@H](c2ccccc2)C1 ZINC000556114647 1078438586 /nfs/dbraw/zinc/43/85/86/1078438586.db2.gz HGYHZNKMZGXFHL-RTBURBONSA-N 0 3 404.511 0.013 20 0 HCADHN COC[C@H]1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000556114900 1078437842 /nfs/dbraw/zinc/43/78/42/1078437842.db2.gz MVGZZTOLNLYOGG-AZUAARDMSA-N 0 3 402.539 0.976 20 0 HCADHN COC[C@H]1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000556114901 1078437915 /nfs/dbraw/zinc/43/79/15/1078437915.db2.gz MVGZZTOLNLYOGG-ICSRJNTNSA-N 0 3 402.539 0.976 20 0 HCADHN COC[C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000556114904 1078437868 /nfs/dbraw/zinc/43/78/68/1078437868.db2.gz MVGZZTOLNLYOGG-QUCCMNQESA-N 0 3 402.539 0.976 20 0 HCADHN COC[C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000556114906 1078437902 /nfs/dbraw/zinc/43/79/02/1078437902.db2.gz MVGZZTOLNLYOGG-UYAOXDASSA-N 0 3 402.539 0.976 20 0 HCADHN CN1CCC[C@H](NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O ZINC000556115122 1078449955 /nfs/dbraw/zinc/44/99/55/1078449955.db2.gz PRHMUIQSIGUHDG-IBGZPJMESA-N 0 3 415.538 0.048 20 0 HCADHN CN1CCC[C@@H](NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O ZINC000556115127 1078450196 /nfs/dbraw/zinc/45/01/96/1078450196.db2.gz PRHMUIQSIGUHDG-LJQANCHMSA-N 0 3 415.538 0.048 20 0 HCADHN CCN1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CC1=O ZINC000556115388 1078450779 /nfs/dbraw/zinc/45/07/79/1078450779.db2.gz RBJONBJYNGMPIF-IBGZPJMESA-N 0 3 415.538 0.172 20 0 HCADHN CCN1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1=O ZINC000556115390 1078450843 /nfs/dbraw/zinc/45/08/43/1078450843.db2.gz RBJONBJYNGMPIF-LJQANCHMSA-N 0 3 415.538 0.172 20 0 HCADHN Cc1cnc(CCNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)nc1 ZINC000556115747 1078450434 /nfs/dbraw/zinc/45/04/34/1078450434.db2.gz KCKZPWZZGIBZJM-UHFFFAOYSA-N 0 3 424.549 0.768 20 0 HCADHN CC(C)N(C[C@H](C)O)C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000556115885 1078450782 /nfs/dbraw/zinc/45/07/82/1078450782.db2.gz MPZQJOWKGVNXLC-IBGZPJMESA-N 0 3 404.555 0.928 20 0 HCADHN CC(C)N(C[C@@H](C)O)C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000556115886 1078450790 /nfs/dbraw/zinc/45/07/90/1078450790.db2.gz MPZQJOWKGVNXLC-LJQANCHMSA-N 0 3 404.555 0.928 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CC(=O)N1C ZINC000556115906 1078450138 /nfs/dbraw/zinc/45/01/38/1078450138.db2.gz WKPNPQMUMVMLIF-HKUYNNGSSA-N 0 3 415.538 0.171 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC(=O)N1C ZINC000556115907 1078449999 /nfs/dbraw/zinc/44/99/99/1078449999.db2.gz WKPNPQMUMVMLIF-IEBWSBKVSA-N 0 3 415.538 0.171 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CC(=O)N1C ZINC000556115908 1078450183 /nfs/dbraw/zinc/45/01/83/1078450183.db2.gz WKPNPQMUMVMLIF-MJGOQNOKSA-N 0 3 415.538 0.171 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC(=O)N1C ZINC000556115910 1078450074 /nfs/dbraw/zinc/45/00/74/1078450074.db2.gz WKPNPQMUMVMLIF-PKOBYXMFSA-N 0 3 415.538 0.171 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@H](c2ccccc2)C1 ZINC000556116107 1078450932 /nfs/dbraw/zinc/45/09/32/1078450932.db2.gz PCVFJDMDXKFKAR-MOPGFXCFSA-N 0 3 415.538 0.218 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)[C@H](c2ccccc2)C1 ZINC000556116109 1078450979 /nfs/dbraw/zinc/45/09/79/1078450979.db2.gz PCVFJDMDXKFKAR-OALUTQOASA-N 0 3 415.538 0.218 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)[C@@H](c2ccccc2)C1 ZINC000556116111 1078450808 /nfs/dbraw/zinc/45/08/08/1078450808.db2.gz PCVFJDMDXKFKAR-RBUKOAKNSA-N 0 3 415.538 0.218 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@@H](c2ccccc2)C1 ZINC000556116113 1078450903 /nfs/dbraw/zinc/45/09/03/1078450903.db2.gz PCVFJDMDXKFKAR-RTBURBONSA-N 0 3 415.538 0.218 20 0 HCADHN Cc1nccn1CCNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000556116347 1078451704 /nfs/dbraw/zinc/45/17/04/1078451704.db2.gz SGCYCLWIGJAUGZ-UHFFFAOYSA-N 0 3 412.538 0.632 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N(CCO)C1CCC1 ZINC000556116635 1078451317 /nfs/dbraw/zinc/45/13/17/1078451317.db2.gz XDIANZNTRATRJM-UHFFFAOYSA-N 0 3 402.539 0.684 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)[C@H](c2ccccc2)C1 ZINC000556118015 1078452141 /nfs/dbraw/zinc/45/21/41/1078452141.db2.gz VPPLUOCAIGHMOQ-CTNGQTDRSA-N 0 3 424.549 0.878 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)[C@H](c2ccccc2)C1 ZINC000556118016 1078452262 /nfs/dbraw/zinc/45/22/62/1078452262.db2.gz VPPLUOCAIGHMOQ-FPOVZHCZSA-N 0 3 424.549 0.878 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)[C@@H](c2ccccc2)C1 ZINC000556118017 1078452015 /nfs/dbraw/zinc/45/20/15/1078452015.db2.gz VPPLUOCAIGHMOQ-PZJWPPBQSA-N 0 3 424.549 0.878 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)[C@@H](c2ccccc2)C1 ZINC000556118018 1078452107 /nfs/dbraw/zinc/45/21/07/1078452107.db2.gz VPPLUOCAIGHMOQ-TZIWHRDSSA-N 0 3 424.549 0.878 20 0 HCADHN CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)c1 ZINC000556121108 1078453354 /nfs/dbraw/zinc/45/33/54/1078453354.db2.gz YCALTDKSXZWUHW-UHFFFAOYSA-N 0 3 411.462 0.415 20 0 HCADHN CN(CCc1cnccn1)C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000556121587 1078447043 /nfs/dbraw/zinc/44/70/43/1078447043.db2.gz FDYBRBBXYSUEPG-NRFANRHFSA-N 0 3 424.549 0.973 20 0 HCADHN CN(CCc1cnccn1)C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000556121588 1078447003 /nfs/dbraw/zinc/44/70/03/1078447003.db2.gz FDYBRBBXYSUEPG-OAQYLSRUSA-N 0 3 424.549 0.973 20 0 HCADHN Cc1nccn1CCNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000556121887 1078453257 /nfs/dbraw/zinc/45/32/57/1078453257.db2.gz OFFZBGMKDMOJQN-FQEVSTJZSA-N 0 3 412.538 0.803 20 0 HCADHN Cc1nccn1CCNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000556121888 1078453303 /nfs/dbraw/zinc/45/33/03/1078453303.db2.gz OFFZBGMKDMOJQN-HXUWFJFHSA-N 0 3 412.538 0.803 20 0 HCADHN COCCN(Cc1ccnn1C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000556122769 1078447324 /nfs/dbraw/zinc/44/73/24/1078447324.db2.gz DNNFXMNSAKDJMI-UHFFFAOYSA-N 0 3 413.522 0.960 20 0 HCADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000556123582 1078448414 /nfs/dbraw/zinc/44/84/14/1078448414.db2.gz SPRHPIYSBPDYFC-CVEARBPZSA-N 0 3 409.552 0.831 20 0 HCADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000556123583 1078448383 /nfs/dbraw/zinc/44/83/83/1078448383.db2.gz SPRHPIYSBPDYFC-HOTGVXAUSA-N 0 3 409.552 0.831 20 0 HCADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000556123584 1078448369 /nfs/dbraw/zinc/44/83/69/1078448369.db2.gz SPRHPIYSBPDYFC-HZPDHXFCSA-N 0 3 409.552 0.831 20 0 HCADHN C[C@H]([C@H](C)N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1)S(C)(=O)=O ZINC000556123585 1078448433 /nfs/dbraw/zinc/44/84/33/1078448433.db2.gz SPRHPIYSBPDYFC-JKSUJKDBSA-N 0 3 409.552 0.831 20 0 HCADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000556123705 1078448024 /nfs/dbraw/zinc/44/80/24/1078448024.db2.gz SFBYMNJWDFLFMV-MOPGFXCFSA-N 0 3 402.539 0.946 20 0 HCADHN C[C@@H]1OCCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000556123706 1078448075 /nfs/dbraw/zinc/44/80/75/1078448075.db2.gz SFBYMNJWDFLFMV-OALUTQOASA-N 0 3 402.539 0.946 20 0 HCADHN C[C@H]1OCCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000556123707 1078447990 /nfs/dbraw/zinc/44/79/90/1078447990.db2.gz SFBYMNJWDFLFMV-RBUKOAKNSA-N 0 3 402.539 0.946 20 0 HCADHN C[C@H]1OCCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000556123708 1078448057 /nfs/dbraw/zinc/44/80/57/1078448057.db2.gz SFBYMNJWDFLFMV-RTBURBONSA-N 0 3 402.539 0.946 20 0 HCADHN NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000556124828 1078448726 /nfs/dbraw/zinc/44/87/26/1078448726.db2.gz JMBNUPIGJHHSAL-INIZCTEOSA-N 0 3 401.511 0.458 20 0 HCADHN NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000556124829 1078448779 /nfs/dbraw/zinc/44/87/79/1078448779.db2.gz JMBNUPIGJHHSAL-MRXNPFEDSA-N 0 3 401.511 0.458 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCCCN1CCc2ccccc2C1)[C@H](C)N1CCOCC1 ZINC000556124930 1078448794 /nfs/dbraw/zinc/44/87/94/1078448794.db2.gz FGDVHRSQRQGXMG-MSOLQXFVSA-N 0 3 402.539 0.776 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCCCN1CCc2ccccc2C1)[C@@H](C)N1CCOCC1 ZINC000556124931 1078448701 /nfs/dbraw/zinc/44/87/01/1078448701.db2.gz FGDVHRSQRQGXMG-QZTJIDSGSA-N 0 3 402.539 0.776 20 0 HCADHN C[C@H](NC(=O)C(=O)NCCCN1CCc2ccccc2C1)[C@H](C)N1CCOCC1 ZINC000556124932 1078448752 /nfs/dbraw/zinc/44/87/52/1078448752.db2.gz FGDVHRSQRQGXMG-ROUUACIJSA-N 0 3 402.539 0.776 20 0 HCADHN C[C@H]([C@H](C)NC(=O)C(=O)NCCCN1CCc2ccccc2C1)N1CCOCC1 ZINC000556124933 1078448805 /nfs/dbraw/zinc/44/88/05/1078448805.db2.gz FGDVHRSQRQGXMG-ZWKOTPCHSA-N 0 3 402.539 0.776 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCCN1CCc2ccccc21 ZINC000556125108 1078449106 /nfs/dbraw/zinc/44/91/06/1078449106.db2.gz HJAVQQMLCREYNN-UHFFFAOYSA-N 0 3 401.555 0.651 20 0 HCADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCCN1CCc3ccccc3C1)CCO2 ZINC000556125418 1078449168 /nfs/dbraw/zinc/44/91/68/1078449168.db2.gz SOWKMMNSRBDPPH-HTAPYJJXSA-N 0 3 401.507 0.957 20 0 HCADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCCN1CCc3ccccc3C1)CCO2 ZINC000556125419 1078449070 /nfs/dbraw/zinc/44/90/70/1078449070.db2.gz SOWKMMNSRBDPPH-JTSKRJEESA-N 0 3 401.507 0.957 20 0 HCADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCCCN1CCc3ccccc3C1)CCO2 ZINC000556125420 1078449177 /nfs/dbraw/zinc/44/91/77/1078449177.db2.gz SOWKMMNSRBDPPH-VGOFRKELSA-N 0 3 401.507 0.957 20 0 HCADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCCCN1CCc3ccccc3C1)CCO2 ZINC000556125421 1078449080 /nfs/dbraw/zinc/44/90/80/1078449080.db2.gz SOWKMMNSRBDPPH-VGSWGCGISA-N 0 3 401.507 0.957 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000556125563 1078449059 /nfs/dbraw/zinc/44/90/59/1078449059.db2.gz OVAYHOMDYPTBGN-UHFFFAOYSA-N 0 3 408.506 0.690 20 0 HCADHN Cc1c(CNC(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cnn1C ZINC000556125793 1078449125 /nfs/dbraw/zinc/44/91/25/1078449125.db2.gz UGDYXPRVZDJQGZ-FQEVSTJZSA-N 0 3 412.538 0.840 20 0 HCADHN Cc1c(CNC(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cnn1C ZINC000556125794 1078449161 /nfs/dbraw/zinc/44/91/61/1078449161.db2.gz UGDYXPRVZDJQGZ-HXUWFJFHSA-N 0 3 412.538 0.840 20 0 HCADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCCN3CCc4ccccc4C3)C2=O)cn1 ZINC000556125810 1078449196 /nfs/dbraw/zinc/44/91/96/1078449196.db2.gz YYRVJRNTYJQPEQ-IBGZPJMESA-N 0 3 424.505 0.206 20 0 HCADHN Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCCN3CCc4ccccc4C3)C2=O)cn1 ZINC000556125811 1078449137 /nfs/dbraw/zinc/44/91/37/1078449137.db2.gz YYRVJRNTYJQPEQ-LJQANCHMSA-N 0 3 424.505 0.206 20 0 HCADHN CNC(=O)CC1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000556126019 1078448744 /nfs/dbraw/zinc/44/87/44/1078448744.db2.gz ZJZVOKRDISBBLV-UHFFFAOYSA-N 0 3 400.523 0.926 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000556126478 1078447792 /nfs/dbraw/zinc/44/77/92/1078447792.db2.gz LPJLYKZHCFHDHB-AEFFLSMTSA-N 0 3 424.567 0.031 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000556126479 1078447711 /nfs/dbraw/zinc/44/77/11/1078447711.db2.gz LPJLYKZHCFHDHB-FUHWJXTLSA-N 0 3 424.567 0.031 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000556126480 1078447690 /nfs/dbraw/zinc/44/76/90/1078447690.db2.gz LPJLYKZHCFHDHB-SJLPKXTDSA-N 0 3 424.567 0.031 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000556126481 1078447737 /nfs/dbraw/zinc/44/77/37/1078447737.db2.gz LPJLYKZHCFHDHB-WMZOPIPTSA-N 0 3 424.567 0.031 20 0 HCADHN Cc1nccc(CNC(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000556126934 1078449575 /nfs/dbraw/zinc/44/95/75/1078449575.db2.gz ZQAYXLGNQSIUCX-FQEVSTJZSA-N 0 3 410.522 0.896 20 0 HCADHN Cc1nccc(CNC(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000556126936 1078449612 /nfs/dbraw/zinc/44/96/12/1078449612.db2.gz ZQAYXLGNQSIUCX-HXUWFJFHSA-N 0 3 410.522 0.896 20 0 HCADHN CCCCN(C(=O)CN1CCCN(C)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000556135356 1078455051 /nfs/dbraw/zinc/45/50/51/1078455051.db2.gz DLFPVDOEUFERSQ-UHFFFAOYSA-N 0 3 408.547 0.958 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000556136041 1078454557 /nfs/dbraw/zinc/45/45/57/1078454557.db2.gz FJRWDQVHLOIRFJ-GOSISDBHSA-N 0 3 404.511 0.574 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000556136042 1078454642 /nfs/dbraw/zinc/45/46/42/1078454642.db2.gz FJRWDQVHLOIRFJ-SFHVURJKSA-N 0 3 404.511 0.574 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000556147629 1078462062 /nfs/dbraw/zinc/46/20/62/1078462062.db2.gz UZUSNTGEJHLNLP-UHFFFAOYSA-N 0 3 424.929 0.871 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(OC(C)C)nc2)CC1 ZINC000556151827 1078464025 /nfs/dbraw/zinc/46/40/25/1078464025.db2.gz ZNGYEOWRKQTOGX-KRWDZBQOSA-N 0 3 405.543 0.875 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccc(OC(C)C)nc2)CC1 ZINC000556151828 1078463847 /nfs/dbraw/zinc/46/38/47/1078463847.db2.gz ZNGYEOWRKQTOGX-QGZVFWFLSA-N 0 3 405.543 0.875 20 0 HCADHN COc1cccc(CCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1OC ZINC000556155537 1078466471 /nfs/dbraw/zinc/46/64/71/1078466471.db2.gz NPRLHZLYUBGHGR-UHFFFAOYSA-N 0 3 406.527 0.458 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCO[C@H]2CCCC[C@H]2C)CC1 ZINC000556155756 1078465953 /nfs/dbraw/zinc/46/59/53/1078465953.db2.gz PVVGCCBQBJRPFS-MSOLQXFVSA-N 0 3 410.559 0.711 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000556155757 1078466055 /nfs/dbraw/zinc/46/60/55/1078466055.db2.gz PVVGCCBQBJRPFS-QZTJIDSGSA-N 0 3 410.559 0.711 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000556155758 1078466027 /nfs/dbraw/zinc/46/60/27/1078466027.db2.gz PVVGCCBQBJRPFS-ROUUACIJSA-N 0 3 410.559 0.711 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000556155759 1078466086 /nfs/dbraw/zinc/46/60/86/1078466086.db2.gz PVVGCCBQBJRPFS-ZWKOTPCHSA-N 0 3 410.559 0.711 20 0 HCADHN C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000556165749 1078469384 /nfs/dbraw/zinc/46/93/84/1078469384.db2.gz QBNAOXFKSYHGBY-INIZCTEOSA-N 0 3 404.486 0.640 20 0 HCADHN C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000556165752 1078469395 /nfs/dbraw/zinc/46/93/95/1078469395.db2.gz QBNAOXFKSYHGBY-MRXNPFEDSA-N 0 3 404.486 0.640 20 0 HCADHN C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000556166188 1078470810 /nfs/dbraw/zinc/47/08/10/1078470810.db2.gz RDWXPRNGXUZWFH-CRAIPNDOSA-N 0 3 404.486 0.638 20 0 HCADHN C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000556166194 1078470655 /nfs/dbraw/zinc/47/06/55/1078470655.db2.gz RDWXPRNGXUZWFH-MAUKXSAKSA-N 0 3 404.486 0.638 20 0 HCADHN C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000556166196 1078470807 /nfs/dbraw/zinc/47/08/07/1078470807.db2.gz RDWXPRNGXUZWFH-QAPCUYQASA-N 0 3 404.486 0.638 20 0 HCADHN C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000556166199 1078470596 /nfs/dbraw/zinc/47/05/96/1078470596.db2.gz RDWXPRNGXUZWFH-YJBOKZPZSA-N 0 3 404.486 0.638 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CC1 ZINC000556167710 1078471534 /nfs/dbraw/zinc/47/15/34/1078471534.db2.gz RNBRURZLBOGJMW-UHFFFAOYSA-N 0 3 415.582 0.517 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC000556168270 1078472989 /nfs/dbraw/zinc/47/29/89/1078472989.db2.gz JYHJPLIUZVLSGW-UHFFFAOYSA-N 0 3 422.961 0.527 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000556168660 1078472543 /nfs/dbraw/zinc/47/25/43/1078472543.db2.gz WCGRKIPCQRIGAN-MOPGFXCFSA-N 0 3 421.586 0.428 20 0 HCADHN C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000556168706 1078472428 /nfs/dbraw/zinc/47/24/28/1078472428.db2.gz XFDZCVLBOGRBAF-HNNXBMFYSA-N 0 3 412.481 0.992 20 0 HCADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000556168707 1078472583 /nfs/dbraw/zinc/47/25/83/1078472583.db2.gz XFDZCVLBOGRBAF-OAHLLOKOSA-N 0 3 412.481 0.992 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000556168826 1078472007 /nfs/dbraw/zinc/47/20/07/1078472007.db2.gz ZKXJDXDVSNSQLV-FQEVSTJZSA-N 0 3 402.539 0.600 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000556168827 1078472057 /nfs/dbraw/zinc/47/20/57/1078472057.db2.gz ZKXJDXDVSNSQLV-HXUWFJFHSA-N 0 3 402.539 0.600 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000556169458 1078473986 /nfs/dbraw/zinc/47/39/86/1078473986.db2.gz ACZXDVAPWGIGKO-UHFFFAOYSA-N 0 3 421.508 0.521 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000556169484 1078473477 /nfs/dbraw/zinc/47/34/77/1078473477.db2.gz AUYWHOWVSBAQOZ-INIZCTEOSA-N 0 3 423.508 0.804 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000556169486 1078473450 /nfs/dbraw/zinc/47/34/50/1078473450.db2.gz AUYWHOWVSBAQOZ-MRXNPFEDSA-N 0 3 423.508 0.804 20 0 HCADHN COc1cc(CN(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)cc(OC)c1 ZINC000556169572 1078473413 /nfs/dbraw/zinc/47/34/13/1078473413.db2.gz BLDHFCGQBNVFJR-UHFFFAOYSA-N 0 3 406.527 0.806 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NCCc2ccc(F)c(F)c2F)CC1 ZINC000556169600 1078473497 /nfs/dbraw/zinc/47/34/97/1078473497.db2.gz DXNFKOVTFAQVSW-UHFFFAOYSA-N 0 3 400.445 0.906 20 0 HCADHN Cn1nc(CCNC(=O)C(=O)NCCCCN2CCN(C)CC2)c2ccccc21 ZINC000556169848 1078473022 /nfs/dbraw/zinc/47/30/22/1078473022.db2.gz DUFGTWQNTIKYCO-UHFFFAOYSA-N 0 3 400.527 0.376 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1 ZINC000556170117 1078474043 /nfs/dbraw/zinc/47/40/43/1078474043.db2.gz GVYFZURJMKFGAG-UHFFFAOYSA-N 0 3 418.538 0.953 20 0 HCADHN Cc1ccccc1N1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000556170382 1078477972 /nfs/dbraw/zinc/47/79/72/1078477972.db2.gz ICXUYNJEWGPEDR-UHFFFAOYSA-N 0 3 401.555 0.787 20 0 HCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@@H](C)O1 ZINC000556170490 1078477920 /nfs/dbraw/zinc/47/79/20/1078477920.db2.gz LKTCQOJKPDDOFM-AQNXPRMDSA-N 0 3 423.602 0.230 20 0 HCADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@H](C)O1 ZINC000556170491 1078478217 /nfs/dbraw/zinc/47/82/17/1078478217.db2.gz LKTCQOJKPDDOFM-HSALFYBXSA-N 0 3 423.602 0.230 20 0 HCADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@@H](C)O1 ZINC000556170492 1078478096 /nfs/dbraw/zinc/47/80/96/1078478096.db2.gz LKTCQOJKPDDOFM-VAMGGRTRSA-N 0 3 423.602 0.230 20 0 HCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@H](C)O1 ZINC000556170493 1078478700 /nfs/dbraw/zinc/47/87/00/1078478700.db2.gz LKTCQOJKPDDOFM-ZCNNSNEGSA-N 0 3 423.602 0.230 20 0 HCADHN Cn1cc(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)c(-c2ccccc2)n1 ZINC000556170502 1078478178 /nfs/dbraw/zinc/47/81/78/1078478178.db2.gz LQRXDACFCDJVPU-UHFFFAOYSA-N 0 3 412.538 0.847 20 0 HCADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCOCC2)CN1Cc1ccccc1 ZINC000556170544 1078478032 /nfs/dbraw/zinc/47/80/32/1078478032.db2.gz MLRMJSZMGSHDMR-AZUAARDMSA-N 0 3 402.539 0.994 20 0 HCADHN C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)CN1Cc1ccccc1 ZINC000556170545 1078477892 /nfs/dbraw/zinc/47/78/92/1078477892.db2.gz MLRMJSZMGSHDMR-ICSRJNTNSA-N 0 3 402.539 0.994 20 0 HCADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)CN1Cc1ccccc1 ZINC000556170546 1078478000 /nfs/dbraw/zinc/47/80/00/1078478000.db2.gz MLRMJSZMGSHDMR-QUCCMNQESA-N 0 3 402.539 0.994 20 0 HCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCOCC2)CN1Cc1ccccc1 ZINC000556170547 1078478145 /nfs/dbraw/zinc/47/81/45/1078478145.db2.gz MLRMJSZMGSHDMR-UYAOXDASSA-N 0 3 402.539 0.994 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000556170833 1078477357 /nfs/dbraw/zinc/47/73/57/1078477357.db2.gz OHGLYWBWZLIXPH-IBGZPJMESA-N 0 3 404.511 0.436 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000556170834 1078477390 /nfs/dbraw/zinc/47/73/90/1078477390.db2.gz OHGLYWBWZLIXPH-LJQANCHMSA-N 0 3 404.511 0.436 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000556170990 1078477522 /nfs/dbraw/zinc/47/75/22/1078477522.db2.gz NTLPIOQPJASPSO-UHFFFAOYSA-N 0 3 405.518 0.618 20 0 HCADHN CC[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CCN1CC(F)F ZINC000556171269 1078479936 /nfs/dbraw/zinc/47/99/36/1078479936.db2.gz PKQZKYWTYOINKS-INIZCTEOSA-N 0 3 403.518 0.318 20 0 HCADHN CC[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CCN1CC(F)F ZINC000556171270 1078479910 /nfs/dbraw/zinc/47/99/10/1078479910.db2.gz PKQZKYWTYOINKS-MRXNPFEDSA-N 0 3 403.518 0.318 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000556171439 1078479428 /nfs/dbraw/zinc/47/94/28/1078479428.db2.gz ARYGODOZWSMGRE-FQEVSTJZSA-N 0 3 401.555 0.646 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000556171440 1078480076 /nfs/dbraw/zinc/48/00/76/1078480076.db2.gz ARYGODOZWSMGRE-HXUWFJFHSA-N 0 3 401.555 0.646 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCCCCN1CCOCC1)N1CCc2ccccc2C1 ZINC000556172029 1078478643 /nfs/dbraw/zinc/47/86/43/1078478643.db2.gz SXAUJHYWQDCTIO-GOSISDBHSA-N 0 3 402.539 0.778 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCCCCN1CCOCC1)N1CCc2ccccc2C1 ZINC000556172042 1078478863 /nfs/dbraw/zinc/47/88/63/1078478863.db2.gz SXAUJHYWQDCTIO-SFHVURJKSA-N 0 3 402.539 0.778 20 0 HCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCCCN2CCOCC2)CC1 ZINC000556172161 1078480181 /nfs/dbraw/zinc/48/01/81/1078480181.db2.gz IQJVIKQXIDJPQO-GOSISDBHSA-N 0 3 417.554 0.952 20 0 HCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCCCN2CCOCC2)CC1 ZINC000556172163 1078480040 /nfs/dbraw/zinc/48/00/40/1078480040.db2.gz IQJVIKQXIDJPQO-SFHVURJKSA-N 0 3 417.554 0.952 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000556172751 1078480947 /nfs/dbraw/zinc/48/09/47/1078480947.db2.gz WLEOYRFNPISIKP-UHFFFAOYSA-N 0 3 421.489 0.964 20 0 HCADHN C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000556173034 1078480230 /nfs/dbraw/zinc/48/02/30/1078480230.db2.gz INCYGYFUFCADPL-KRWDZBQOSA-N 0 3 422.599 0.492 20 0 HCADHN C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000556173035 1078480126 /nfs/dbraw/zinc/48/01/26/1078480126.db2.gz INCYGYFUFCADPL-QGZVFWFLSA-N 0 3 422.599 0.492 20 0 HCADHN COc1c(C)cnc(CN(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)c1C ZINC000556173760 1078481414 /nfs/dbraw/zinc/48/14/14/1078481414.db2.gz ZHGBSKXZODFLRJ-UHFFFAOYSA-N 0 3 405.543 0.809 20 0 HCADHN C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000556173814 1078481776 /nfs/dbraw/zinc/48/17/76/1078481776.db2.gz BBFYYQVAQNXESY-GOSISDBHSA-N 0 3 401.555 0.698 20 0 HCADHN C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000556173815 1078481319 /nfs/dbraw/zinc/48/13/19/1078481319.db2.gz BBFYYQVAQNXESY-SFHVURJKSA-N 0 3 401.555 0.698 20 0 HCADHN COCCOc1ccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000556173875 1078481657 /nfs/dbraw/zinc/48/16/57/1078481657.db2.gz CCQLZAMEVJDYLD-UHFFFAOYSA-N 0 3 406.527 0.470 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000556173977 1078481730 /nfs/dbraw/zinc/48/17/30/1078481730.db2.gz FHAXZAKQCZWUSB-UHFFFAOYSA-N 0 3 416.501 0.771 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000556174896 1078482433 /nfs/dbraw/zinc/48/24/33/1078482433.db2.gz QVFSPNMBFZNVJT-IBGZPJMESA-N 0 3 406.502 0.869 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000556174897 1078482127 /nfs/dbraw/zinc/48/21/27/1078482127.db2.gz QVFSPNMBFZNVJT-LJQANCHMSA-N 0 3 406.502 0.869 20 0 HCADHN Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N(CCO)C3CC3)CC2)c1 ZINC000556181189 1078502058 /nfs/dbraw/zinc/50/20/58/1078502058.db2.gz CHJZMEDSRQLJSZ-UHFFFAOYSA-N 0 3 402.539 0.997 20 0 HCADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000556190570 1078501286 /nfs/dbraw/zinc/50/12/86/1078501286.db2.gz ULSVCIZCPPVBOQ-GOSISDBHSA-N 0 3 407.559 0.226 20 0 HCADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000556190571 1078501037 /nfs/dbraw/zinc/50/10/37/1078501037.db2.gz ULSVCIZCPPVBOQ-SFHVURJKSA-N 0 3 407.559 0.226 20 0 HCADHN Cc1nc(Cn2nnc(NC(=O)C(=O)NCCN3CCCC(C)(C)C3)c2C)no1 ZINC000556191765 1078504696 /nfs/dbraw/zinc/50/46/96/1078504696.db2.gz OYBGXOUDOUHFQW-UHFFFAOYSA-N 0 3 404.475 0.503 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000556194281 1078509224 /nfs/dbraw/zinc/50/92/24/1078509224.db2.gz QMGKWBOUZHLABG-UHFFFAOYSA-N 0 3 403.571 0.971 20 0 HCADHN CCC(CC)C(=O)N1CCC(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000556195220 1078511041 /nfs/dbraw/zinc/51/10/41/1078511041.db2.gz SVPXXPDTKPAGII-UHFFFAOYSA-N 0 3 423.602 0.672 20 0 HCADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CN1C1CC1 ZINC000556195727 1078509975 /nfs/dbraw/zinc/50/99/75/1078509975.db2.gz HLSDDPRGIKVDBV-AEFFLSMTSA-N 0 3 417.529 0.805 20 0 HCADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CN1C1CC1 ZINC000556195728 1078509896 /nfs/dbraw/zinc/50/98/96/1078509896.db2.gz HLSDDPRGIKVDBV-FUHWJXTLSA-N 0 3 417.529 0.805 20 0 HCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CN1C1CC1 ZINC000556195729 1078510033 /nfs/dbraw/zinc/51/00/33/1078510033.db2.gz HLSDDPRGIKVDBV-SJLPKXTDSA-N 0 3 417.529 0.805 20 0 HCADHN C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CN1C1CC1 ZINC000556195730 1078510089 /nfs/dbraw/zinc/51/00/89/1078510089.db2.gz HLSDDPRGIKVDBV-WMZOPIPTSA-N 0 3 417.529 0.805 20 0 HCADHN CC(C)N1CCCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 ZINC000556197373 1078515953 /nfs/dbraw/zinc/51/59/53/1078515953.db2.gz NCWLNHJJRZCUGV-UHFFFAOYSA-N 0 3 401.555 0.868 20 0 HCADHN CN(CCN1CCN(C(=O)C(=O)NCC2CCOCC2)CC1)Cc1ccccc1 ZINC000556197848 1078514312 /nfs/dbraw/zinc/51/43/12/1078514312.db2.gz FPDSAJKBTURXCL-UHFFFAOYSA-N 0 3 402.539 0.805 20 0 HCADHN CN(CCN1CCCC1)C(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000556198293 1078503217 /nfs/dbraw/zinc/50/32/17/1078503217.db2.gz WXLSKGBJXRDKOF-UHFFFAOYSA-N 0 3 405.518 0.618 20 0 HCADHN Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)N2CCOCC2)o1 ZINC000556201943 1078525178 /nfs/dbraw/zinc/52/51/78/1078525178.db2.gz HEPTYXUUKRVVHD-JXFKEZNVSA-N 0 3 424.567 0.631 20 0 HCADHN Cc1ccc([C@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)N2CCOCC2)o1 ZINC000556201950 1078525259 /nfs/dbraw/zinc/52/52/59/1078525259.db2.gz HEPTYXUUKRVVHD-OXJNMPFZSA-N 0 3 424.567 0.631 20 0 HCADHN Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)N2CCOCC2)o1 ZINC000556201951 1078525435 /nfs/dbraw/zinc/52/54/35/1078525435.db2.gz HEPTYXUUKRVVHD-OXQOHEQNSA-N 0 3 424.567 0.631 20 0 HCADHN Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)N2CCOCC2)o1 ZINC000556201952 1078525344 /nfs/dbraw/zinc/52/53/44/1078525344.db2.gz HEPTYXUUKRVVHD-UZLBHIALSA-N 0 3 424.567 0.631 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCc2csc(N3CCCC3)n2)CCSC1 ZINC000556202509 1078526675 /nfs/dbraw/zinc/52/66/75/1078526675.db2.gz SJSXOIGVFAVQPT-GOSISDBHSA-N 0 3 411.597 0.956 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)NCCc2csc(N3CCCC3)n2)CCSC1 ZINC000556202510 1078526572 /nfs/dbraw/zinc/52/65/72/1078526572.db2.gz SJSXOIGVFAVQPT-SFHVURJKSA-N 0 3 411.597 0.956 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N(C)C[C@H](O)COCc2ccccc2)CCSC1 ZINC000556202882 1078526624 /nfs/dbraw/zinc/52/66/24/1078526624.db2.gz XLUXNNKAKXDYIN-FXAWDEMLSA-N 0 3 409.552 0.576 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N(C)C[C@H](O)COCc2ccccc2)CCSC1 ZINC000556202889 1078526416 /nfs/dbraw/zinc/52/64/16/1078526416.db2.gz XLUXNNKAKXDYIN-PXNSSMCTSA-N 0 3 409.552 0.576 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N(C)C[C@@H](O)COCc2ccccc2)CCSC1 ZINC000556202890 1078526471 /nfs/dbraw/zinc/52/64/71/1078526471.db2.gz XLUXNNKAKXDYIN-XLIONFOSSA-N 0 3 409.552 0.576 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N(C)C[C@@H](O)COCc2ccccc2)CCSC1 ZINC000556202891 1078526522 /nfs/dbraw/zinc/52/65/22/1078526522.db2.gz XLUXNNKAKXDYIN-YLJYHZDGSA-N 0 3 409.552 0.576 20 0 HCADHN COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000556203981 1078527949 /nfs/dbraw/zinc/52/79/49/1078527949.db2.gz GTKHZZNAJGXLDT-IBGZPJMESA-N 0 3 408.524 0.441 20 0 HCADHN COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000556203982 1078527831 /nfs/dbraw/zinc/52/78/31/1078527831.db2.gz GTKHZZNAJGXLDT-LJQANCHMSA-N 0 3 408.524 0.441 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CCSC1 ZINC000556204564 1078517326 /nfs/dbraw/zinc/51/73/26/1078517326.db2.gz CRERTFJYXJODKZ-FXAWDEMLSA-N 0 3 407.536 0.846 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CCSC1 ZINC000556204565 1078517708 /nfs/dbraw/zinc/51/77/08/1078517708.db2.gz CRERTFJYXJODKZ-PXNSSMCTSA-N 0 3 407.536 0.846 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CCSC1 ZINC000556204566 1078517564 /nfs/dbraw/zinc/51/75/64/1078517564.db2.gz CRERTFJYXJODKZ-XLIONFOSSA-N 0 3 407.536 0.846 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CCSC1 ZINC000556204567 1078517278 /nfs/dbraw/zinc/51/72/78/1078517278.db2.gz CRERTFJYXJODKZ-YLJYHZDGSA-N 0 3 407.536 0.846 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)CCSC1 ZINC000556204611 1078517747 /nfs/dbraw/zinc/51/77/47/1078517747.db2.gz DVXVORAOFYVAIK-FQEVSTJZSA-N 0 3 404.536 0.525 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)CCSC1 ZINC000556204615 1078517469 /nfs/dbraw/zinc/51/74/69/1078517469.db2.gz DVXVORAOFYVAIK-HXUWFJFHSA-N 0 3 404.536 0.525 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CCSC1 ZINC000556204636 1078517353 /nfs/dbraw/zinc/51/73/53/1078517353.db2.gz AJFWIKMXRRMYRQ-IBGZPJMESA-N 0 3 406.556 0.489 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CCSC1 ZINC000556204637 1078517666 /nfs/dbraw/zinc/51/76/66/1078517666.db2.gz AJFWIKMXRRMYRQ-LJQANCHMSA-N 0 3 406.556 0.489 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CCSC1 ZINC000556204944 1078517398 /nfs/dbraw/zinc/51/73/98/1078517398.db2.gz DPZXDLKYYLQVMB-FQEVSTJZSA-N 0 3 422.526 0.664 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CCSC1 ZINC000556204948 1078517727 /nfs/dbraw/zinc/51/77/27/1078517727.db2.gz DPZXDLKYYLQVMB-HXUWFJFHSA-N 0 3 422.526 0.664 20 0 HCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)CC2)n1 ZINC000556205515 1078519620 /nfs/dbraw/zinc/51/96/20/1078519620.db2.gz IUBUNCNSYRKPOJ-IBGZPJMESA-N 0 3 406.556 0.296 20 0 HCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@]3(N(C)C)CCSC3)CC2)n1 ZINC000556205532 1078519456 /nfs/dbraw/zinc/51/94/56/1078519456.db2.gz IUBUNCNSYRKPOJ-LJQANCHMSA-N 0 3 406.556 0.296 20 0 HCADHN CCC(CC)[C@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)N1CCOCC1 ZINC000556206165 1078519411 /nfs/dbraw/zinc/51/94/11/1078519411.db2.gz LIJPTEBTNKCPGI-FXAWDEMLSA-N 0 3 414.616 0.793 20 0 HCADHN CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)N1CCOCC1 ZINC000556206169 1078519558 /nfs/dbraw/zinc/51/95/58/1078519558.db2.gz LIJPTEBTNKCPGI-PXNSSMCTSA-N 0 3 414.616 0.793 20 0 HCADHN CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)N1CCOCC1 ZINC000556206171 1078519378 /nfs/dbraw/zinc/51/93/78/1078519378.db2.gz LIJPTEBTNKCPGI-XLIONFOSSA-N 0 3 414.616 0.793 20 0 HCADHN CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)N1CCOCC1 ZINC000556206174 1078519650 /nfs/dbraw/zinc/51/96/50/1078519650.db2.gz LIJPTEBTNKCPGI-YLJYHZDGSA-N 0 3 414.616 0.793 20 0 HCADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@]3(N(C)C)CCSC3)C2=O)cc1 ZINC000556206351 1078520306 /nfs/dbraw/zinc/52/03/06/1078520306.db2.gz LEIPXWSQOXDLMH-DYESRHJHSA-N 0 3 418.563 0.766 20 0 HCADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@]3(N(C)C)CCSC3)C2=O)cc1 ZINC000556206354 1078520349 /nfs/dbraw/zinc/52/03/49/1078520349.db2.gz LEIPXWSQOXDLMH-LAUBAEHRSA-N 0 3 418.563 0.766 20 0 HCADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)C2=O)cc1 ZINC000556206355 1078520255 /nfs/dbraw/zinc/52/02/55/1078520255.db2.gz LEIPXWSQOXDLMH-UTKZUKDTSA-N 0 3 418.563 0.766 20 0 HCADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)C2=O)cc1 ZINC000556206356 1078520333 /nfs/dbraw/zinc/52/03/33/1078520333.db2.gz LEIPXWSQOXDLMH-UWJYYQICSA-N 0 3 418.563 0.766 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)CCSC1 ZINC000556206529 1078520179 /nfs/dbraw/zinc/52/01/79/1078520179.db2.gz LULDMFSQAVIVIR-KRWDZBQOSA-N 0 3 409.537 0.909 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)CCSC1 ZINC000556206530 1078520205 /nfs/dbraw/zinc/52/02/05/1078520205.db2.gz LULDMFSQAVIVIR-QGZVFWFLSA-N 0 3 409.537 0.909 20 0 HCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)CC2)oc1C ZINC000556206681 1078520091 /nfs/dbraw/zinc/52/00/91/1078520091.db2.gz PWDNYLHTAKZERF-IBGZPJMESA-N 0 3 409.556 0.489 20 0 HCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@]3(N(C)C)CCSC3)CC2)oc1C ZINC000556206688 1078520288 /nfs/dbraw/zinc/52/02/88/1078520288.db2.gz PWDNYLHTAKZERF-LJQANCHMSA-N 0 3 409.556 0.489 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC000556206802 1078520375 /nfs/dbraw/zinc/52/03/75/1078520375.db2.gz NXJGQFJWVNFJQE-KRWDZBQOSA-N 0 3 402.495 0.297 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC000556206803 1078520146 /nfs/dbraw/zinc/52/01/46/1078520146.db2.gz NXJGQFJWVNFJQE-QGZVFWFLSA-N 0 3 402.495 0.297 20 0 HCADHN Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000556207670 1078521954 /nfs/dbraw/zinc/52/19/54/1078521954.db2.gz RXMFUTHRKMYVNZ-FQEVSTJZSA-N 0 3 422.551 0.862 20 0 HCADHN Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000556207672 1078521550 /nfs/dbraw/zinc/52/15/50/1078521550.db2.gz RXMFUTHRKMYVNZ-HXUWFJFHSA-N 0 3 422.551 0.862 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N(C)Cc2nccn2CC(F)(F)F)CCSC1 ZINC000556207949 1078521172 /nfs/dbraw/zinc/52/11/72/1078521172.db2.gz PDBIQEXPLANYTL-HNNXBMFYSA-N 0 3 407.462 0.957 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N(C)Cc2nccn2CC(F)(F)F)CCSC1 ZINC000556207952 1078520731 /nfs/dbraw/zinc/52/07/31/1078520731.db2.gz PDBIQEXPLANYTL-OAHLLOKOSA-N 0 3 407.462 0.957 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1ccccc1N1CCOCC1 ZINC000556207994 1078521457 /nfs/dbraw/zinc/52/14/57/1078521457.db2.gz CCSHIJNZDDGUTK-UHFFFAOYSA-N 0 3 417.554 0.235 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CCSC1 ZINC000556208251 1078533390 /nfs/dbraw/zinc/53/33/90/1078533390.db2.gz SBLUKLPSYZDMRG-IBGZPJMESA-N 0 3 407.540 0.088 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CCSC1 ZINC000556208678 1078532684 /nfs/dbraw/zinc/53/26/84/1078532684.db2.gz UYNRFIUNTPBRPS-FQEVSTJZSA-N 0 3 412.600 0.691 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CCSC1 ZINC000556208679 1078532958 /nfs/dbraw/zinc/53/29/58/1078532958.db2.gz UYNRFIUNTPBRPS-HXUWFJFHSA-N 0 3 412.600 0.691 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CCSC1 ZINC000556208693 1078532827 /nfs/dbraw/zinc/53/28/27/1078532827.db2.gz VFZSNRTXBFUOJS-NRFANRHFSA-N 0 3 404.580 0.927 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CCSC1 ZINC000556208696 1078533426 /nfs/dbraw/zinc/53/34/26/1078533426.db2.gz VFZSNRTXBFUOJS-OAQYLSRUSA-N 0 3 404.580 0.927 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2ccnc(OC3CCOCC3)c2)CCSC1 ZINC000556208835 1078532642 /nfs/dbraw/zinc/53/26/42/1078532642.db2.gz YNDNDDJTMBXYFE-FQEVSTJZSA-N 0 3 422.551 0.809 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2ccnc(OC3CCOCC3)c2)CCSC1 ZINC000556208838 1078532786 /nfs/dbraw/zinc/53/27/86/1078532786.db2.gz YNDNDDJTMBXYFE-HXUWFJFHSA-N 0 3 422.551 0.809 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CCSC1 ZINC000556208927 1078532917 /nfs/dbraw/zinc/53/29/17/1078532917.db2.gz SBLUKLPSYZDMRG-LJQANCHMSA-N 0 3 407.540 0.088 20 0 HCADHN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000556209507 1078534003 /nfs/dbraw/zinc/53/40/03/1078534003.db2.gz WGKDYPWLWONHKW-FQEVSTJZSA-N 0 3 422.551 0.323 20 0 HCADHN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000556209508 1078533749 /nfs/dbraw/zinc/53/37/49/1078533749.db2.gz WGKDYPWLWONHKW-HXUWFJFHSA-N 0 3 422.551 0.323 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCO3)CC1 ZINC000556210333 1078534550 /nfs/dbraw/zinc/53/45/50/1078534550.db2.gz ZSSGQOVGVDQWOF-UHFFFAOYSA-N 0 3 402.495 0.250 20 0 HCADHN Cc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000556217298 1078531871 /nfs/dbraw/zinc/53/18/71/1078531871.db2.gz ZRRHPDQHEXHVNY-HKUYNNGSSA-N 0 3 416.522 0.644 20 0 HCADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000556217300 1078532219 /nfs/dbraw/zinc/53/22/19/1078532219.db2.gz ZRRHPDQHEXHVNY-IEBWSBKVSA-N 0 3 416.522 0.644 20 0 HCADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000556217302 1078531815 /nfs/dbraw/zinc/53/18/15/1078531815.db2.gz ZRRHPDQHEXHVNY-MJGOQNOKSA-N 0 3 416.522 0.644 20 0 HCADHN Cc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000556217304 1078532010 /nfs/dbraw/zinc/53/20/10/1078532010.db2.gz ZRRHPDQHEXHVNY-PKOBYXMFSA-N 0 3 416.522 0.644 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NCCCc2nc3ccccc3[nH]2)CC1 ZINC000556223272 1078537908 /nfs/dbraw/zinc/53/79/08/1078537908.db2.gz LFZQVUKXWXLTOQ-UHFFFAOYSA-N 0 3 400.527 0.756 20 0 HCADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1nnn(Cc2noc(C)n2)c1C ZINC000556230060 1078540675 /nfs/dbraw/zinc/54/06/75/1078540675.db2.gz LJPIOTCIFWKSMC-UHFFFAOYSA-N 0 3 404.475 0.599 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000556236981 1078547045 /nfs/dbraw/zinc/54/70/45/1078547045.db2.gz QOHYGQZABQLULA-AZUAARDMSA-N 0 3 412.534 0.988 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000556236982 1078546980 /nfs/dbraw/zinc/54/69/80/1078546980.db2.gz QOHYGQZABQLULA-ICSRJNTNSA-N 0 3 412.534 0.988 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000556236983 1078547074 /nfs/dbraw/zinc/54/70/74/1078547074.db2.gz QOHYGQZABQLULA-QUCCMNQESA-N 0 3 412.534 0.988 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000556236984 1078547114 /nfs/dbraw/zinc/54/71/14/1078547114.db2.gz QOHYGQZABQLULA-UYAOXDASSA-N 0 3 412.534 0.988 20 0 HCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556238136 1078547686 /nfs/dbraw/zinc/54/76/86/1078547686.db2.gz ZODCONPMCIULKX-MOPGFXCFSA-N 0 3 411.506 0.791 20 0 HCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556238141 1078547658 /nfs/dbraw/zinc/54/76/58/1078547658.db2.gz ZODCONPMCIULKX-OALUTQOASA-N 0 3 411.506 0.791 20 0 HCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556238142 1078547568 /nfs/dbraw/zinc/54/75/68/1078547568.db2.gz ZODCONPMCIULKX-RBUKOAKNSA-N 0 3 411.506 0.791 20 0 HCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556238143 1078547728 /nfs/dbraw/zinc/54/77/28/1078547728.db2.gz ZODCONPMCIULKX-RTBURBONSA-N 0 3 411.506 0.791 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1(C)C ZINC000556244575 1078553458 /nfs/dbraw/zinc/55/34/58/1078553458.db2.gz DNCFNYFCIMFFRK-UHFFFAOYSA-N 0 3 402.543 0.309 20 0 HCADHN CS(=O)(=O)C[C@@H](N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000556260757 1078563762 /nfs/dbraw/zinc/56/37/62/1078563762.db2.gz JHDJRUDRAJWTMT-DLBZAZTESA-N 0 3 409.556 0.695 20 0 HCADHN CS(=O)(=O)C[C@@H](N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000556260758 1078563862 /nfs/dbraw/zinc/56/38/62/1078563862.db2.gz JHDJRUDRAJWTMT-IAGOWNOFSA-N 0 3 409.556 0.695 20 0 HCADHN CS(=O)(=O)C[C@H](N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000556261140 1078563281 /nfs/dbraw/zinc/56/32/81/1078563281.db2.gz JHDJRUDRAJWTMT-IRXDYDNUSA-N 0 3 409.556 0.695 20 0 HCADHN CS(=O)(=O)C[C@H](N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000556261145 1078563335 /nfs/dbraw/zinc/56/33/35/1078563335.db2.gz JHDJRUDRAJWTMT-SJORKVTESA-N 0 3 409.556 0.695 20 0 HCADHN Cn1cc(NC(=O)C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cn1 ZINC000556269603 1078570921 /nfs/dbraw/zinc/57/09/21/1078570921.db2.gz PPUIEIKZCLSZDU-KRWDZBQOSA-N 0 3 411.510 0.814 20 0 HCADHN Cn1cc(NC(=O)C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cn1 ZINC000556269611 1078570879 /nfs/dbraw/zinc/57/08/79/1078570879.db2.gz PPUIEIKZCLSZDU-QGZVFWFLSA-N 0 3 411.510 0.814 20 0 HCADHN CN(CC(C)(C)O)C(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000556279379 1078574051 /nfs/dbraw/zinc/57/40/51/1078574051.db2.gz FNYBLKOOHRQZSC-UHFFFAOYSA-N 0 3 404.555 0.930 20 0 HCADHN COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000556279918 1078573449 /nfs/dbraw/zinc/57/34/49/1078573449.db2.gz JCOZNANHLYOPTR-PBHICJAKSA-N 0 3 420.485 0.777 20 0 HCADHN COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000556279921 1078573361 /nfs/dbraw/zinc/57/33/61/1078573361.db2.gz JCOZNANHLYOPTR-RHSMWYFYSA-N 0 3 420.485 0.777 20 0 HCADHN COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000556279923 1078573415 /nfs/dbraw/zinc/57/34/15/1078573415.db2.gz JCOZNANHLYOPTR-WMLDXEAASA-N 0 3 420.485 0.777 20 0 HCADHN COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000556279924 1078573425 /nfs/dbraw/zinc/57/34/25/1078573425.db2.gz JCOZNANHLYOPTR-YOEHRIQHSA-N 0 3 420.485 0.777 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C[C@H]1CO ZINC000556281846 1078574589 /nfs/dbraw/zinc/57/45/89/1078574589.db2.gz ZUZRDZPQGUGTML-CTNGQTDRSA-N 0 3 416.566 0.787 20 0 HCADHN Cn1cc(CNC(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000556282081 1078574079 /nfs/dbraw/zinc/57/40/79/1078574079.db2.gz MGTWTZYEGGBKMG-UHFFFAOYSA-N 0 3 412.538 0.751 20 0 HCADHN Cn1ccnc1CNC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000556282699 1078575064 /nfs/dbraw/zinc/57/50/64/1078575064.db2.gz ZIYZJWUHSKKSGP-UHFFFAOYSA-N 0 3 412.538 0.751 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N[C@H](CO)CC3CCC3)c2)CC1 ZINC000556293056 1078579832 /nfs/dbraw/zinc/57/98/32/1078579832.db2.gz MOPCKIYBGUZGRZ-IBGZPJMESA-N 0 3 416.522 0.990 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H](CO)CC3CCC3)c2)CC1 ZINC000556293058 1078579785 /nfs/dbraw/zinc/57/97/85/1078579785.db2.gz MOPCKIYBGUZGRZ-LJQANCHMSA-N 0 3 416.522 0.990 20 0 HCADHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000556295298 1078587488 /nfs/dbraw/zinc/58/74/88/1078587488.db2.gz CGJKPXNOGTVEEC-BJOOFOGMSA-N 0 3 408.524 0.911 20 0 HCADHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000556295301 1078587514 /nfs/dbraw/zinc/58/75/14/1078587514.db2.gz CGJKPXNOGTVEEC-IWEFOYFVSA-N 0 3 408.524 0.911 20 0 HCADHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000556295302 1078587615 /nfs/dbraw/zinc/58/76/15/1078587615.db2.gz CGJKPXNOGTVEEC-ULFGMLNVSA-N 0 3 408.524 0.911 20 0 HCADHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000556295303 1078587766 /nfs/dbraw/zinc/58/77/66/1078587766.db2.gz CGJKPXNOGTVEEC-XZOAIXRZSA-N 0 3 408.524 0.911 20 0 HCADHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000556299918 1078592463 /nfs/dbraw/zinc/59/24/63/1078592463.db2.gz XUYPZDHHNDWRTH-LEWJYISDSA-N 0 3 414.550 0.948 20 0 HCADHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000556299928 1078592543 /nfs/dbraw/zinc/59/25/43/1078592543.db2.gz XUYPZDHHNDWRTH-NHCUHLMSSA-N 0 3 414.550 0.948 20 0 HCADHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000556299929 1078592351 /nfs/dbraw/zinc/59/23/51/1078592351.db2.gz XUYPZDHHNDWRTH-RTWAWAEBSA-N 0 3 414.550 0.948 20 0 HCADHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000556299932 1078592697 /nfs/dbraw/zinc/59/26/97/1078592697.db2.gz XUYPZDHHNDWRTH-SFTDATJTSA-N 0 3 414.550 0.948 20 0 HCADHN O=C(NCCN1CCSCC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000556306503 1078605121 /nfs/dbraw/zinc/60/51/21/1078605121.db2.gz KSBWMDTWOYACPM-UHFFFAOYSA-N 0 3 400.614 0.629 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCC1(N2CCSCC2)CCCC1)CN1CCOCC1 ZINC000556306695 1078604386 /nfs/dbraw/zinc/60/43/86/1078604386.db2.gz VZHYFGLEJUAAKK-KRWDZBQOSA-N 0 3 412.600 0.549 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCC1(N2CCSCC2)CCCC1)CN1CCOCC1 ZINC000556306696 1078604375 /nfs/dbraw/zinc/60/43/75/1078604375.db2.gz VZHYFGLEJUAAKK-QGZVFWFLSA-N 0 3 412.600 0.549 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000556308939 1078595886 /nfs/dbraw/zinc/59/58/86/1078595886.db2.gz LQEQWUZMTMCENG-UHFFFAOYSA-N 0 3 418.513 0.986 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000556309517 1078597572 /nfs/dbraw/zinc/59/75/72/1078597572.db2.gz OLDJZCUFFDOLTG-UHFFFAOYSA-N 0 3 416.497 0.740 20 0 HCADHN C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000556310047 1078597657 /nfs/dbraw/zinc/59/76/57/1078597657.db2.gz OVDPJHOAGYKEJZ-IBGZPJMESA-N 0 3 412.538 0.664 20 0 HCADHN C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000556310049 1078597847 /nfs/dbraw/zinc/59/78/47/1078597847.db2.gz OVDPJHOAGYKEJZ-LJQANCHMSA-N 0 3 412.538 0.664 20 0 HCADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000556324709 1078620670 /nfs/dbraw/zinc/62/06/70/1078620670.db2.gz QGQFPTLNPVMHJL-CYBMUJFWSA-N 0 3 407.500 0.293 20 0 HCADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000556324712 1078620842 /nfs/dbraw/zinc/62/08/42/1078620842.db2.gz QGQFPTLNPVMHJL-ZDUSSCGKSA-N 0 3 407.500 0.293 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCc2c(C)nn(C)c2C)CC1 ZINC000556333993 1078620129 /nfs/dbraw/zinc/62/01/29/1078620129.db2.gz IDAXBHUXDJONAU-UHFFFAOYSA-N 0 3 400.483 0.448 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000556347780 1078638991 /nfs/dbraw/zinc/63/89/91/1078638991.db2.gz QSFYIYFREOSUGT-IBGZPJMESA-N 0 3 401.555 0.725 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000556347781 1078639141 /nfs/dbraw/zinc/63/91/41/1078639141.db2.gz QSFYIYFREOSUGT-LJQANCHMSA-N 0 3 401.555 0.725 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)CN1CCN(C)CC1 ZINC000556348100 1078639032 /nfs/dbraw/zinc/63/90/32/1078639032.db2.gz KGVNHUBJFUIQRH-DOTOQJQBSA-N 0 3 419.501 0.047 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)CN1CCN(C)CC1 ZINC000556348101 1078639121 /nfs/dbraw/zinc/63/91/21/1078639121.db2.gz KGVNHUBJFUIQRH-NVXWUHKLSA-N 0 3 419.501 0.047 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)CN1CCN(C)CC1 ZINC000556348102 1078639073 /nfs/dbraw/zinc/63/90/73/1078639073.db2.gz KGVNHUBJFUIQRH-RDJZCZTQSA-N 0 3 419.501 0.047 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)CN1CCN(C)CC1 ZINC000556348103 1078638969 /nfs/dbraw/zinc/63/89/69/1078638969.db2.gz KGVNHUBJFUIQRH-WBVHZDCISA-N 0 3 419.501 0.047 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000556348761 1078640876 /nfs/dbraw/zinc/64/08/76/1078640876.db2.gz UIJJHBOJTAJGOB-MSOLQXFVSA-N 0 3 418.538 0.675 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000556348762 1078640907 /nfs/dbraw/zinc/64/09/07/1078640907.db2.gz UIJJHBOJTAJGOB-QZTJIDSGSA-N 0 3 418.538 0.675 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000556348763 1078640843 /nfs/dbraw/zinc/64/08/43/1078640843.db2.gz UIJJHBOJTAJGOB-ROUUACIJSA-N 0 3 418.538 0.675 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000556348764 1078640814 /nfs/dbraw/zinc/64/08/14/1078640814.db2.gz UIJJHBOJTAJGOB-ZWKOTPCHSA-N 0 3 418.538 0.675 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC1(C)C ZINC000556352268 1078641453 /nfs/dbraw/zinc/64/14/53/1078641453.db2.gz QHMZCYLPIHLWPR-UHFFFAOYSA-N 0 3 422.501 0.493 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1)CN1CCN(C)CC1 ZINC000556353466 1078652130 /nfs/dbraw/zinc/65/21/30/1078652130.db2.gz AYPPCMSEWFAALV-APWZRJJASA-N 0 3 406.502 0.725 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1)CN1CCN(C)CC1 ZINC000556353467 1078651993 /nfs/dbraw/zinc/65/19/93/1078651993.db2.gz AYPPCMSEWFAALV-LPHOPBHVSA-N 0 3 406.502 0.725 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2F)C1)CN1CCN(C)CC1 ZINC000556353468 1078652112 /nfs/dbraw/zinc/65/21/12/1078652112.db2.gz AYPPCMSEWFAALV-QFBILLFUSA-N 0 3 406.502 0.725 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2F)C1)CN1CCN(C)CC1 ZINC000556353469 1078651762 /nfs/dbraw/zinc/65/17/62/1078651762.db2.gz AYPPCMSEWFAALV-VQIMIIECSA-N 0 3 406.502 0.725 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1)CN1CCN(C)CC1 ZINC000556353738 1078651386 /nfs/dbraw/zinc/65/13/86/1078651386.db2.gz AEYMFYKNJDEMQQ-DLBZAZTESA-N 0 3 421.517 0.590 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1)CN1CCN(C)CC1 ZINC000556353741 1078651336 /nfs/dbraw/zinc/65/13/36/1078651336.db2.gz AEYMFYKNJDEMQQ-IAGOWNOFSA-N 0 3 421.517 0.590 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](Oc2ncccc2F)C1)CN1CCN(C)CC1 ZINC000556353743 1078651497 /nfs/dbraw/zinc/65/14/97/1078651497.db2.gz AEYMFYKNJDEMQQ-IRXDYDNUSA-N 0 3 421.517 0.590 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](Oc2ncccc2F)C1)CN1CCN(C)CC1 ZINC000556353745 1078652051 /nfs/dbraw/zinc/65/20/51/1078652051.db2.gz AEYMFYKNJDEMQQ-SJORKVTESA-N 0 3 421.517 0.590 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000556353747 1078652074 /nfs/dbraw/zinc/65/20/74/1078652074.db2.gz AFNFAXDSDOSYII-HNNXBMFYSA-N 0 3 404.515 0.046 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000556353751 1078651896 /nfs/dbraw/zinc/65/18/96/1078651896.db2.gz AFNFAXDSDOSYII-OAHLLOKOSA-N 0 3 404.515 0.046 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)CN1CCN(C)CC1 ZINC000556353822 1078652148 /nfs/dbraw/zinc/65/21/48/1078652148.db2.gz DCRXDTZFJOTVQS-BEFAXECRSA-N 0 3 424.492 0.864 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)CN1CCN(C)CC1 ZINC000556353823 1078651859 /nfs/dbraw/zinc/65/18/59/1078651859.db2.gz DCRXDTZFJOTVQS-DNVCBOLYSA-N 0 3 424.492 0.864 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)CN1CCN(C)CC1 ZINC000556353824 1078652027 /nfs/dbraw/zinc/65/20/27/1078652027.db2.gz DCRXDTZFJOTVQS-HNAYVOBHSA-N 0 3 424.492 0.864 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)CN1CCN(C)CC1 ZINC000556353827 1078651824 /nfs/dbraw/zinc/65/18/24/1078651824.db2.gz DCRXDTZFJOTVQS-KXBFYZLASA-N 0 3 424.492 0.864 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCC(Cc2cccnc2)CC1)CN1CCN(C)CC1 ZINC000556354205 1078650898 /nfs/dbraw/zinc/65/08/98/1078650898.db2.gz FBLWJGGWJBFCAC-GOSISDBHSA-N 0 3 401.555 0.862 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCC(Cc2cccnc2)CC1)CN1CCN(C)CC1 ZINC000556354209 1078651055 /nfs/dbraw/zinc/65/10/55/1078651055.db2.gz FBLWJGGWJBFCAC-SFHVURJKSA-N 0 3 401.555 0.862 20 0 HCADHN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)ccn1 ZINC000556354270 1078651437 /nfs/dbraw/zinc/65/14/37/1078651437.db2.gz FMQDWSFIPWBXHS-DLBZAZTESA-N 0 3 405.543 0.875 20 0 HCADHN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccn1 ZINC000556354272 1078651352 /nfs/dbraw/zinc/65/13/52/1078651352.db2.gz FMQDWSFIPWBXHS-IAGOWNOFSA-N 0 3 405.543 0.875 20 0 HCADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)ccn1 ZINC000556354276 1078651375 /nfs/dbraw/zinc/65/13/75/1078651375.db2.gz FMQDWSFIPWBXHS-IRXDYDNUSA-N 0 3 405.543 0.875 20 0 HCADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccn1 ZINC000556354279 1078651401 /nfs/dbraw/zinc/65/14/01/1078651401.db2.gz FMQDWSFIPWBXHS-SJORKVTESA-N 0 3 405.543 0.875 20 0 HCADHN CCn1nccc1C1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000556354612 1078653164 /nfs/dbraw/zinc/65/31/64/1078653164.db2.gz JVYGJCNZZSPYJB-KRWDZBQOSA-N 0 3 404.559 0.609 20 0 HCADHN CCn1nccc1C1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000556354617 1078653225 /nfs/dbraw/zinc/65/32/25/1078653225.db2.gz JVYGJCNZZSPYJB-QGZVFWFLSA-N 0 3 404.559 0.609 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1nc2ccccc2n1C1CC1)CN1CCN(C)CC1 ZINC000556354643 1078653202 /nfs/dbraw/zinc/65/32/02/1078653202.db2.gz KNBDOFSFRZDRLK-INIZCTEOSA-N 0 3 412.538 0.987 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1nc2ccccc2n1C1CC1)CN1CCN(C)CC1 ZINC000556354644 1078653142 /nfs/dbraw/zinc/65/31/42/1078653142.db2.gz KNBDOFSFRZDRLK-MRXNPFEDSA-N 0 3 412.538 0.987 20 0 HCADHN Cc1ccc(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)c1 ZINC000556354653 1078653086 /nfs/dbraw/zinc/65/30/86/1078653086.db2.gz KVXFZKGUVVJSST-IBGZPJMESA-N 0 3 415.582 0.952 20 0 HCADHN Cc1ccc(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)c1 ZINC000556354657 1078653179 /nfs/dbraw/zinc/65/31/79/1078653179.db2.gz KVXFZKGUVVJSST-LJQANCHMSA-N 0 3 415.582 0.952 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000556354658 1078653209 /nfs/dbraw/zinc/65/32/09/1078653209.db2.gz KYGMQFOTUUKNIH-AABGKKOBSA-N 0 3 423.602 0.136 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000556354659 1078653748 /nfs/dbraw/zinc/65/37/48/1078653748.db2.gz KYGMQFOTUUKNIH-AQNXPRMDSA-N 0 3 423.602 0.136 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000556354661 1078653720 /nfs/dbraw/zinc/65/37/20/1078653720.db2.gz KYGMQFOTUUKNIH-HSALFYBXSA-N 0 3 423.602 0.136 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000556354663 1078653673 /nfs/dbraw/zinc/65/36/73/1078653673.db2.gz KYGMQFOTUUKNIH-VAMGGRTRSA-N 0 3 423.602 0.136 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(OC(C)(C)C)nc1)CN1CCN(C)CC1 ZINC000556354812 1078653236 /nfs/dbraw/zinc/65/32/36/1078653236.db2.gz IRFVYHWXVWWPJP-INIZCTEOSA-N 0 3 405.543 0.875 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ccc(OC(C)(C)C)nc1)CN1CCN(C)CC1 ZINC000556354814 1078653121 /nfs/dbraw/zinc/65/31/21/1078653121.db2.gz IRFVYHWXVWWPJP-MRXNPFEDSA-N 0 3 405.543 0.875 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000556354901 1078652501 /nfs/dbraw/zinc/65/25/01/1078652501.db2.gz MTTZBGCUEYSPTL-GGPKGHCWSA-N 0 3 402.539 0.975 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1)CN1CCN(C)CC1 ZINC000556354902 1078652449 /nfs/dbraw/zinc/65/24/49/1078652449.db2.gz MTTZBGCUEYSPTL-HBFSDRIKSA-N 0 3 402.539 0.975 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000556354903 1078652550 /nfs/dbraw/zinc/65/25/50/1078652550.db2.gz MTTZBGCUEYSPTL-QWFCFKBJSA-N 0 3 402.539 0.975 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000556354904 1078652560 /nfs/dbraw/zinc/65/25/60/1078652560.db2.gz MTTZBGCUEYSPTL-WSTZPKSXSA-N 0 3 402.539 0.975 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2nccn2C(F)F)CC1 ZINC000556354966 1078652463 /nfs/dbraw/zinc/65/24/63/1078652463.db2.gz OPMJGSWKNHAEDY-AWEZNQCLSA-N 0 3 400.474 0.626 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2nccn2C(F)F)CC1 ZINC000556354967 1078652539 /nfs/dbraw/zinc/65/25/39/1078652539.db2.gz OPMJGSWKNHAEDY-CQSZACIVSA-N 0 3 400.474 0.626 20 0 HCADHN Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)c1 ZINC000556354970 1078652577 /nfs/dbraw/zinc/65/25/77/1078652577.db2.gz OULZCDZAYSMVKZ-GOSISDBHSA-N 0 3 417.554 0.760 20 0 HCADHN Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)c1 ZINC000556354971 1078652492 /nfs/dbraw/zinc/65/24/92/1078652492.db2.gz OULZCDZAYSMVKZ-SFHVURJKSA-N 0 3 417.554 0.760 20 0 HCADHN Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000556355033 1078653244 /nfs/dbraw/zinc/65/32/44/1078653244.db2.gz KJLFWUOGRLDZKD-KRWDZBQOSA-N 0 3 412.538 0.797 20 0 HCADHN Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000556355035 1078653192 /nfs/dbraw/zinc/65/31/92/1078653192.db2.gz KJLFWUOGRLDZKD-QGZVFWFLSA-N 0 3 412.538 0.797 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1)CN1CCN(C)CC1 ZINC000556355225 1078652529 /nfs/dbraw/zinc/65/25/29/1078652529.db2.gz MNWKZSLTEMTFEP-KRWDZBQOSA-N 0 3 412.538 0.703 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1)CN1CCN(C)CC1 ZINC000556355243 1078652511 /nfs/dbraw/zinc/65/25/11/1078652511.db2.gz MNWKZSLTEMTFEP-QGZVFWFLSA-N 0 3 412.538 0.703 20 0 HCADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)O[C@@H](C)C2 ZINC000556355453 1078644277 /nfs/dbraw/zinc/64/42/77/1078644277.db2.gz BRKPMBLPVDOEKL-HOTGVXAUSA-N 0 3 418.538 0.635 20 0 HCADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)O[C@H](C)C2 ZINC000556355455 1078644171 /nfs/dbraw/zinc/64/41/71/1078644171.db2.gz BRKPMBLPVDOEKL-HZPDHXFCSA-N 0 3 418.538 0.635 20 0 HCADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)O[C@H](C)C2 ZINC000556355458 1078644202 /nfs/dbraw/zinc/64/42/02/1078644202.db2.gz BRKPMBLPVDOEKL-JKSUJKDBSA-N 0 3 418.538 0.635 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1)CN1CCN(C)CC1 ZINC000556355595 1078644409 /nfs/dbraw/zinc/64/44/09/1078644409.db2.gz SBBRQNKKZKQPMV-KRWDZBQOSA-N 0 3 412.538 0.703 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1)CN1CCN(C)CC1 ZINC000556355596 1078644352 /nfs/dbraw/zinc/64/43/52/1078644352.db2.gz SBBRQNKKZKQPMV-QGZVFWFLSA-N 0 3 412.538 0.703 20 0 HCADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)N1CCc2sccc2C1 ZINC000556356029 1078643878 /nfs/dbraw/zinc/64/38/78/1078643878.db2.gz WLYDBHDYAXQRTH-DLBZAZTESA-N 0 3 421.611 0.611 20 0 HCADHN C[C@H](CNC(=O)C(=O)NC[C@@H](C)N1CCc2sccc2C1)CN1CCN(C)CC1 ZINC000556356030 1078643843 /nfs/dbraw/zinc/64/38/43/1078643843.db2.gz WLYDBHDYAXQRTH-IAGOWNOFSA-N 0 3 421.611 0.611 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NC[C@H](C)N1CCc2sccc2C1)CN1CCN(C)CC1 ZINC000556356031 1078643544 /nfs/dbraw/zinc/64/35/44/1078643544.db2.gz WLYDBHDYAXQRTH-IRXDYDNUSA-N 0 3 421.611 0.611 20 0 HCADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCc2sccc2C1)CN1CCN(C)CC1 ZINC000556356032 1078643667 /nfs/dbraw/zinc/64/36/67/1078643667.db2.gz WLYDBHDYAXQRTH-SJORKVTESA-N 0 3 421.611 0.611 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2)CN1CCN(C)CC1 ZINC000556356200 1078654329 /nfs/dbraw/zinc/65/43/29/1078654329.db2.gz XWQDLIOIUIBWDR-INIZCTEOSA-N 0 3 404.511 0.464 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2)CN1CCN(C)CC1 ZINC000556356209 1078653804 /nfs/dbraw/zinc/65/38/04/1078653804.db2.gz XWQDLIOIUIBWDR-MRXNPFEDSA-N 0 3 404.511 0.464 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000556356362 1078645073 /nfs/dbraw/zinc/64/50/73/1078645073.db2.gz KINKDICDIJIZOI-INIZCTEOSA-N 0 3 402.543 0.403 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000556356364 1078644960 /nfs/dbraw/zinc/64/49/60/1078644960.db2.gz KINKDICDIJIZOI-MRXNPFEDSA-N 0 3 402.543 0.403 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1COc2ccccc2O1)CN1CCN(C)CC1 ZINC000556356449 1078645005 /nfs/dbraw/zinc/64/50/05/1078645005.db2.gz YHGKVXXHTQJXDU-DLBZAZTESA-N 0 3 404.511 0.285 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1COc2ccccc2O1)CN1CCN(C)CC1 ZINC000556356450 1078644996 /nfs/dbraw/zinc/64/49/96/1078644996.db2.gz YHGKVXXHTQJXDU-IAGOWNOFSA-N 0 3 404.511 0.285 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1COc2ccccc2O1)CN1CCN(C)CC1 ZINC000556356451 1078645079 /nfs/dbraw/zinc/64/50/79/1078645079.db2.gz YHGKVXXHTQJXDU-IRXDYDNUSA-N 0 3 404.511 0.285 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(C)C[C@H]1COc2ccccc2O1)CN1CCN(C)CC1 ZINC000556356452 1078645112 /nfs/dbraw/zinc/64/51/12/1078645112.db2.gz YHGKVXXHTQJXDU-SJORKVTESA-N 0 3 404.511 0.285 20 0 HCADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)C2)c1 ZINC000556356614 1078645122 /nfs/dbraw/zinc/64/51/22/1078645122.db2.gz MQQJQMYUOWZDHP-MSOLQXFVSA-N 0 3 417.554 0.390 20 0 HCADHN COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)C2)c1 ZINC000556356615 1078645042 /nfs/dbraw/zinc/64/50/42/1078645042.db2.gz MQQJQMYUOWZDHP-QZTJIDSGSA-N 0 3 417.554 0.390 20 0 HCADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)C2)c1 ZINC000556356616 1078644972 /nfs/dbraw/zinc/64/49/72/1078644972.db2.gz MQQJQMYUOWZDHP-ROUUACIJSA-N 0 3 417.554 0.390 20 0 HCADHN COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)C2)c1 ZINC000556356617 1078645086 /nfs/dbraw/zinc/64/50/86/1078645086.db2.gz MQQJQMYUOWZDHP-ZWKOTPCHSA-N 0 3 417.554 0.390 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000556356781 1078645975 /nfs/dbraw/zinc/64/59/75/1078645975.db2.gz RZPHUAGBHZYQAY-AZUAARDMSA-N 0 3 402.539 0.976 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCO[C@H](c3ccccc3)C2)CC1 ZINC000556356782 1078646021 /nfs/dbraw/zinc/64/60/21/1078646021.db2.gz RZPHUAGBHZYQAY-ICSRJNTNSA-N 0 3 402.539 0.976 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCO[C@H](c3ccccc3)C2)CC1 ZINC000556356783 1078646216 /nfs/dbraw/zinc/64/62/16/1078646216.db2.gz RZPHUAGBHZYQAY-QUCCMNQESA-N 0 3 402.539 0.976 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000556356784 1078646254 /nfs/dbraw/zinc/64/62/54/1078646254.db2.gz RZPHUAGBHZYQAY-UYAOXDASSA-N 0 3 402.539 0.976 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1)CN1CCN(C)CC1 ZINC000556357044 1078645603 /nfs/dbraw/zinc/64/56/03/1078645603.db2.gz YSDQHLRSSZZLPQ-MSOLQXFVSA-N 0 3 421.611 0.953 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)c2ccsc2)CC1)CN1CCN(C)CC1 ZINC000556357045 1078645521 /nfs/dbraw/zinc/64/55/21/1078645521.db2.gz YSDQHLRSSZZLPQ-QZTJIDSGSA-N 0 3 421.611 0.953 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1)CN1CCN(C)CC1 ZINC000556357046 1078645482 /nfs/dbraw/zinc/64/54/82/1078645482.db2.gz YSDQHLRSSZZLPQ-ROUUACIJSA-N 0 3 421.611 0.953 20 0 HCADHN C[C@H](c1ccsc1)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000556357047 1078645540 /nfs/dbraw/zinc/64/55/40/1078645540.db2.gz YSDQHLRSSZZLPQ-ZWKOTPCHSA-N 0 3 421.611 0.953 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000556362083 1078659119 /nfs/dbraw/zinc/65/91/19/1078659119.db2.gz QQDRCRSMKLFNTM-KRWDZBQOSA-N 0 3 411.524 0.785 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000556362084 1078659808 /nfs/dbraw/zinc/65/98/08/1078659808.db2.gz QQDRCRSMKLFNTM-QGZVFWFLSA-N 0 3 411.524 0.785 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556367011 1078656313 /nfs/dbraw/zinc/65/63/13/1078656313.db2.gz ZFFCZIPXSHXIEM-DLBZAZTESA-N 0 3 404.515 0.131 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556367012 1078656374 /nfs/dbraw/zinc/65/63/74/1078656374.db2.gz ZFFCZIPXSHXIEM-IAGOWNOFSA-N 0 3 404.515 0.131 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556367013 1078656528 /nfs/dbraw/zinc/65/65/28/1078656528.db2.gz ZFFCZIPXSHXIEM-IRXDYDNUSA-N 0 3 404.515 0.131 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556367014 1078656501 /nfs/dbraw/zinc/65/65/01/1078656501.db2.gz ZFFCZIPXSHXIEM-SJORKVTESA-N 0 3 404.515 0.131 20 0 HCADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1)CN1CCN(C)CC1 ZINC000556368347 1078668379 /nfs/dbraw/zinc/66/83/79/1078668379.db2.gz BQKKYGRPMUOKRD-MOPGFXCFSA-N 0 3 401.555 0.629 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1)CN1CCN(C)CC1 ZINC000556368348 1078668489 /nfs/dbraw/zinc/66/84/89/1078668489.db2.gz BQKKYGRPMUOKRD-OALUTQOASA-N 0 3 401.555 0.629 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1)CN1CCN(C)CC1 ZINC000556368349 1078668401 /nfs/dbraw/zinc/66/84/01/1078668401.db2.gz BQKKYGRPMUOKRD-RBUKOAKNSA-N 0 3 401.555 0.629 20 0 HCADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1)CN1CCN(C)CC1 ZINC000556368350 1078668941 /nfs/dbraw/zinc/66/89/41/1078668941.db2.gz BQKKYGRPMUOKRD-RTBURBONSA-N 0 3 401.555 0.629 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ccccc1Cn1cccn1)CN1CCN(C)CC1 ZINC000556368552 1078668363 /nfs/dbraw/zinc/66/83/63/1078668363.db2.gz DOSUCEWOFORPLN-GOSISDBHSA-N 0 3 412.538 0.547 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1Cn1cccn1)CN1CCN(C)CC1 ZINC000556368553 1078668453 /nfs/dbraw/zinc/66/84/53/1078668453.db2.gz DOSUCEWOFORPLN-SFHVURJKSA-N 0 3 412.538 0.547 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000556368816 1078667839 /nfs/dbraw/zinc/66/78/39/1078667839.db2.gz FENFUTODBPCDKN-GOSISDBHSA-N 0 3 409.575 0.093 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000556368821 1078667789 /nfs/dbraw/zinc/66/77/89/1078667789.db2.gz FENFUTODBPCDKN-SFHVURJKSA-N 0 3 409.575 0.093 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000556368948 1078667805 /nfs/dbraw/zinc/66/78/05/1078667805.db2.gz FWFVSNKUCSNXGZ-HNNXBMFYSA-N 0 3 407.481 0.083 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000556368950 1078667899 /nfs/dbraw/zinc/66/78/99/1078667899.db2.gz FWFVSNKUCSNXGZ-OAHLLOKOSA-N 0 3 407.481 0.083 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000556368984 1078667769 /nfs/dbraw/zinc/66/77/69/1078667769.db2.gz GUCSXZDBFKHTFV-CVEARBPZSA-N 0 3 422.492 0.946 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000556368985 1078667832 /nfs/dbraw/zinc/66/78/32/1078667832.db2.gz GUCSXZDBFKHTFV-HOTGVXAUSA-N 0 3 422.492 0.946 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000556368986 1078667912 /nfs/dbraw/zinc/66/79/12/1078667912.db2.gz GUCSXZDBFKHTFV-HZPDHXFCSA-N 0 3 422.492 0.946 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000556368987 1078667798 /nfs/dbraw/zinc/66/77/98/1078667798.db2.gz GUCSXZDBFKHTFV-JKSUJKDBSA-N 0 3 422.492 0.946 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC000556369413 1078670740 /nfs/dbraw/zinc/67/07/40/1078670740.db2.gz IPTDMTCFLDQWOD-KRWDZBQOSA-N 0 3 404.559 0.948 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC000556369414 1078670710 /nfs/dbraw/zinc/67/07/10/1078670710.db2.gz IPTDMTCFLDQWOD-QGZVFWFLSA-N 0 3 404.559 0.948 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000556369453 1078670799 /nfs/dbraw/zinc/67/07/99/1078670799.db2.gz JKXUKEMQKXRSRN-GOSISDBHSA-N 0 3 421.611 0.782 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000556369454 1078670774 /nfs/dbraw/zinc/67/07/74/1078670774.db2.gz JKXUKEMQKXRSRN-SFHVURJKSA-N 0 3 421.611 0.782 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1)CN1CCN(C)CC1 ZINC000556369568 1078670287 /nfs/dbraw/zinc/67/02/87/1078670287.db2.gz TWWKBPRBEYUAPL-HKUYNNGSSA-N 0 3 412.538 0.625 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1)CN1CCN(C)CC1 ZINC000556369570 1078670145 /nfs/dbraw/zinc/67/01/45/1078670145.db2.gz TWWKBPRBEYUAPL-IEBWSBKVSA-N 0 3 412.538 0.625 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1)CN1CCN(C)CC1 ZINC000556369572 1078670209 /nfs/dbraw/zinc/67/02/09/1078670209.db2.gz TWWKBPRBEYUAPL-MJGOQNOKSA-N 0 3 412.538 0.625 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1)CN1CCN(C)CC1 ZINC000556369573 1078670070 /nfs/dbraw/zinc/67/00/70/1078670070.db2.gz TWWKBPRBEYUAPL-PKOBYXMFSA-N 0 3 412.538 0.625 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370154 1078668894 /nfs/dbraw/zinc/66/88/94/1078668894.db2.gz LPTFUOXYHVHCPH-DLBZAZTESA-N 0 3 419.574 0.742 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370166 1078669627 /nfs/dbraw/zinc/66/96/27/1078669627.db2.gz LPTFUOXYHVHCPH-IAGOWNOFSA-N 0 3 419.574 0.742 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370167 1078669504 /nfs/dbraw/zinc/66/95/04/1078669504.db2.gz LPTFUOXYHVHCPH-IRXDYDNUSA-N 0 3 419.574 0.742 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370169 1078669466 /nfs/dbraw/zinc/66/94/66/1078669466.db2.gz LPTFUOXYHVHCPH-SJORKVTESA-N 0 3 419.574 0.742 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)CN1CCN(C)CC1 ZINC000556370434 1078671950 /nfs/dbraw/zinc/67/19/50/1078671950.db2.gz MENOISFTTVRFTL-IBGZPJMESA-N 0 3 423.602 0.137 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)CN1CCN(C)CC1 ZINC000556370437 1078671894 /nfs/dbraw/zinc/67/18/94/1078671894.db2.gz MENOISFTTVRFTL-LJQANCHMSA-N 0 3 423.602 0.137 20 0 HCADHN CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1)c1c(C)nn(C)c1C ZINC000556370496 1078671913 /nfs/dbraw/zinc/67/19/13/1078671913.db2.gz ZXJJRFMVPMOBDU-CRAIPNDOSA-N 0 3 406.575 0.994 20 0 HCADHN CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1)c1c(C)nn(C)c1C ZINC000556370503 1078671819 /nfs/dbraw/zinc/67/18/19/1078671819.db2.gz ZXJJRFMVPMOBDU-MAUKXSAKSA-N 0 3 406.575 0.994 20 0 HCADHN CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1)c1c(C)nn(C)c1C ZINC000556370506 1078671943 /nfs/dbraw/zinc/67/19/43/1078671943.db2.gz ZXJJRFMVPMOBDU-QAPCUYQASA-N 0 3 406.575 0.994 20 0 HCADHN CC[C@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1)c1c(C)nn(C)c1C ZINC000556370508 1078672444 /nfs/dbraw/zinc/67/24/44/1078672444.db2.gz ZXJJRFMVPMOBDU-YJBOKZPZSA-N 0 3 406.575 0.994 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N(CCCO)[C@@H]1CCc2ccccc21)CN1CCN(C)CC1 ZINC000556370843 1078671310 /nfs/dbraw/zinc/67/13/10/1078671310.db2.gz ODJDCYJNJZEGBK-GHTZIAJQSA-N 0 3 416.566 0.885 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(CCCO)[C@H]1CCc2ccccc21)CN1CCN(C)CC1 ZINC000556370852 1078671503 /nfs/dbraw/zinc/67/15/03/1078671503.db2.gz ODJDCYJNJZEGBK-NQIIRXRSSA-N 0 3 416.566 0.885 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N(CCCO)[C@H]1CCc2ccccc21)CN1CCN(C)CC1 ZINC000556370854 1078671435 /nfs/dbraw/zinc/67/14/35/1078671435.db2.gz ODJDCYJNJZEGBK-RXVVDRJESA-N 0 3 416.566 0.885 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(CCCO)[C@@H]1CCc2ccccc21)CN1CCN(C)CC1 ZINC000556370855 1078671487 /nfs/dbraw/zinc/67/14/87/1078671487.db2.gz ODJDCYJNJZEGBK-WIYYLYMNSA-N 0 3 416.566 0.885 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1)CN1CCN(C)CC1 ZINC000556370950 1078671854 /nfs/dbraw/zinc/67/18/54/1078671854.db2.gz RLXTZYHHFCAVCQ-MVJQZIEYSA-N 0 3 422.595 0.943 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)CC1 ZINC000556370953 1078671418 /nfs/dbraw/zinc/67/14/18/1078671418.db2.gz OTVRGPYNMILCTA-GOSISDBHSA-N 0 3 410.559 0.032 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1)CN1CCN(C)CC1 ZINC000556370957 1078671340 /nfs/dbraw/zinc/67/13/40/1078671340.db2.gz RLXTZYHHFCAVCQ-RIYSCVPDSA-N 0 3 422.595 0.943 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1)CN1CCN(C)CC1 ZINC000556370962 1078671375 /nfs/dbraw/zinc/67/13/75/1078671375.db2.gz RLXTZYHHFCAVCQ-WWTSWKCXSA-N 0 3 422.595 0.943 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)CC1 ZINC000556370963 1078671451 /nfs/dbraw/zinc/67/14/51/1078671451.db2.gz OTVRGPYNMILCTA-SFHVURJKSA-N 0 3 410.559 0.032 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1)CN1CCN(C)CC1 ZINC000556370966 1078671401 /nfs/dbraw/zinc/67/14/01/1078671401.db2.gz RLXTZYHHFCAVCQ-ZYWUZIHQSA-N 0 3 422.595 0.943 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000556371436 1078673512 /nfs/dbraw/zinc/67/35/12/1078673512.db2.gz RLUHZLIDNLQTRA-AWEZNQCLSA-N 0 3 418.464 0.451 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000556371439 1078673561 /nfs/dbraw/zinc/67/35/61/1078673561.db2.gz RLUHZLIDNLQTRA-CQSZACIVSA-N 0 3 418.464 0.451 20 0 HCADHN Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)c1C ZINC000556371460 1078674164 /nfs/dbraw/zinc/67/41/64/1078674164.db2.gz RQRFALHBISXKKZ-GOSISDBHSA-N 0 3 415.582 0.952 20 0 HCADHN Cc1cccc(N2CCN(C(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)c1C ZINC000556371464 1078674172 /nfs/dbraw/zinc/67/41/72/1078674172.db2.gz RQRFALHBISXKKZ-SFHVURJKSA-N 0 3 415.582 0.952 20 0 HCADHN Cc1csc(N2CCN(C(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)n1 ZINC000556371485 1078674110 /nfs/dbraw/zinc/67/41/10/1078674110.db2.gz ULDYQPWEJVWHJQ-HNNXBMFYSA-N 0 3 408.572 0.100 20 0 HCADHN Cc1csc(N2CCN(C(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)n1 ZINC000556371489 1078674147 /nfs/dbraw/zinc/67/41/47/1078674147.db2.gz ULDYQPWEJVWHJQ-OAHLLOKOSA-N 0 3 408.572 0.100 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000556371880 1078673622 /nfs/dbraw/zinc/67/36/22/1078673622.db2.gz VXNNLJYQXTVGOR-INIZCTEOSA-N 0 3 422.599 0.490 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000556371883 1078673644 /nfs/dbraw/zinc/67/36/44/1078673644.db2.gz VXNNLJYQXTVGOR-MRXNPFEDSA-N 0 3 422.599 0.490 20 0 HCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)cs1 ZINC000556372266 1078673019 /nfs/dbraw/zinc/67/30/19/1078673019.db2.gz XTHHYWZSLCBVMU-INIZCTEOSA-N 0 3 422.599 0.095 20 0 HCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)cs1 ZINC000556372269 1078672472 /nfs/dbraw/zinc/67/24/72/1078672472.db2.gz XTHHYWZSLCBVMU-MRXNPFEDSA-N 0 3 422.599 0.095 20 0 HCADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000556372282 1078672347 /nfs/dbraw/zinc/67/23/47/1078672347.db2.gz VMGLVHDYFLQJJZ-DLBZAZTESA-N 0 3 406.527 0.578 20 0 HCADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000556372285 1078672386 /nfs/dbraw/zinc/67/23/86/1078672386.db2.gz VMGLVHDYFLQJJZ-IAGOWNOFSA-N 0 3 406.527 0.578 20 0 HCADHN COc1cccc(O[C@@H](C)CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000556372286 1078672429 /nfs/dbraw/zinc/67/24/29/1078672429.db2.gz VMGLVHDYFLQJJZ-IRXDYDNUSA-N 0 3 406.527 0.578 20 0 HCADHN COc1cccc(O[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000556372287 1078672484 /nfs/dbraw/zinc/67/24/84/1078672484.db2.gz VMGLVHDYFLQJJZ-SJORKVTESA-N 0 3 406.527 0.578 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372312 1078672417 /nfs/dbraw/zinc/67/24/17/1078672417.db2.gz VVABBUMMUWROCS-CABCVRRESA-N 0 3 407.481 0.129 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372317 1078674788 /nfs/dbraw/zinc/67/47/88/1078674788.db2.gz VVABBUMMUWROCS-GJZGRUSLSA-N 0 3 407.481 0.129 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372320 1078674728 /nfs/dbraw/zinc/67/47/28/1078674728.db2.gz VVABBUMMUWROCS-HUUCEWRRSA-N 0 3 407.481 0.129 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372321 1078674929 /nfs/dbraw/zinc/67/49/29/1078674929.db2.gz VVABBUMMUWROCS-LSDHHAIUSA-N 0 3 407.481 0.129 20 0 HCADHN CCCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000556372467 1078676109 /nfs/dbraw/zinc/67/61/09/1078676109.db2.gz WQYTUZATXMGNBC-GOSISDBHSA-N 0 3 423.602 0.531 20 0 HCADHN CCCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000556372471 1078676007 /nfs/dbraw/zinc/67/60/07/1078676007.db2.gz WQYTUZATXMGNBC-SFHVURJKSA-N 0 3 423.602 0.531 20 0 HCADHN CCOC(=O)C1CCC(N(CC)C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000556372706 1078675535 /nfs/dbraw/zinc/67/55/35/1078675535.db2.gz XDSJVROZRYXYEF-LMDPOFIKSA-N 0 3 424.586 0.957 20 0 HCADHN CCOC(=O)C1CCC(N(CC)C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000556372707 1078675305 /nfs/dbraw/zinc/67/53/05/1078675305.db2.gz XDSJVROZRYXYEF-VIQWUECVSA-N 0 3 424.586 0.957 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1)CN1CCN(C)CC1 ZINC000556372739 1078675487 /nfs/dbraw/zinc/67/54/87/1078675487.db2.gz XSSTWHXIXIPTOW-AZUAARDMSA-N 0 3 424.586 0.563 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)CN1CCN(C)CC1 ZINC000556372740 1078675576 /nfs/dbraw/zinc/67/55/76/1078675576.db2.gz XSSTWHXIXIPTOW-ICSRJNTNSA-N 0 3 424.586 0.563 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)CN1CCN(C)CC1 ZINC000556372741 1078675424 /nfs/dbraw/zinc/67/54/24/1078675424.db2.gz XSSTWHXIXIPTOW-QUCCMNQESA-N 0 3 424.586 0.563 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1)CN1CCN(C)CC1 ZINC000556372742 1078675332 /nfs/dbraw/zinc/67/53/32/1078675332.db2.gz XSSTWHXIXIPTOW-UYAOXDASSA-N 0 3 424.586 0.563 20 0 HCADHN CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000556372752 1078675409 /nfs/dbraw/zinc/67/54/09/1078675409.db2.gz XZNAWSQGYKOVRQ-CVEARBPZSA-N 0 3 403.527 0.822 20 0 HCADHN CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000556372753 1078675603 /nfs/dbraw/zinc/67/56/03/1078675603.db2.gz XZNAWSQGYKOVRQ-HOTGVXAUSA-N 0 3 403.527 0.822 20 0 HCADHN CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000556372754 1078675990 /nfs/dbraw/zinc/67/59/90/1078675990.db2.gz XZNAWSQGYKOVRQ-HZPDHXFCSA-N 0 3 403.527 0.822 20 0 HCADHN CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000556372755 1078676039 /nfs/dbraw/zinc/67/60/39/1078676039.db2.gz XZNAWSQGYKOVRQ-JKSUJKDBSA-N 0 3 403.527 0.822 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000556372910 1078675457 /nfs/dbraw/zinc/67/54/57/1078675457.db2.gz ZHQSFDIXDYYUFF-KRWDZBQOSA-N 0 3 418.538 0.806 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000556372911 1078675358 /nfs/dbraw/zinc/67/53/58/1078675358.db2.gz ZHQSFDIXDYYUFF-QGZVFWFLSA-N 0 3 418.538 0.806 20 0 HCADHN O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CCN2CCC1CC2 ZINC000556418291 1078731782 /nfs/dbraw/zinc/73/17/82/1078731782.db2.gz PCMRGEXFNFQMLL-UHFFFAOYSA-N 0 3 422.555 0.023 20 0 HCADHN COc1ccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1OCC(N)=O ZINC000556435259 1078735769 /nfs/dbraw/zinc/73/57/69/1078735769.db2.gz CGBYGMVWMRRUEL-AWEZNQCLSA-N 0 3 418.494 0.831 20 0 HCADHN COc1ccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1OCC(N)=O ZINC000556435262 1078735691 /nfs/dbraw/zinc/73/56/91/1078735691.db2.gz CGBYGMVWMRRUEL-CQSZACIVSA-N 0 3 418.494 0.831 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCN(C2CCC2)C1 ZINC000556435709 1078740281 /nfs/dbraw/zinc/74/02/81/1078740281.db2.gz FVGNMWMNYNJGCV-HNNXBMFYSA-N 0 3 414.510 0.289 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCN(C2CCC2)C1 ZINC000556435711 1078740343 /nfs/dbraw/zinc/74/03/43/1078740343.db2.gz FVGNMWMNYNJGCV-OAHLLOKOSA-N 0 3 414.510 0.289 20 0 HCADHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000556436134 1078739517 /nfs/dbraw/zinc/73/95/17/1078739517.db2.gz IESFXMQHAYJZEM-UHFFFAOYSA-N 0 3 416.522 0.969 20 0 HCADHN CNS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1CCCN1CCOC)C2 ZINC000556453231 1078747273 /nfs/dbraw/zinc/74/72/73/1078747273.db2.gz WXUODJJMCJGNJQ-INIZCTEOSA-N 0 3 410.540 0.773 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC000556485019 1078778519 /nfs/dbraw/zinc/77/85/19/1078778519.db2.gz DQQKLXJEZWVUMT-UHFFFAOYSA-N 0 3 411.524 0.979 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c2ccccc2O1 ZINC000556485641 1078780134 /nfs/dbraw/zinc/78/01/34/1078780134.db2.gz PLDIAXJISYNCNJ-BVYOLEPJSA-N 0 3 414.506 0.715 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c2ccccc2O1 ZINC000556485642 1078780183 /nfs/dbraw/zinc/78/01/83/1078780183.db2.gz PLDIAXJISYNCNJ-GFIVTLFCSA-N 0 3 414.506 0.715 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c2ccccc2O1 ZINC000556485643 1078780274 /nfs/dbraw/zinc/78/02/74/1078780274.db2.gz PLDIAXJISYNCNJ-LFEHRJTNSA-N 0 3 414.506 0.715 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c2ccccc2O1 ZINC000556485644 1078780355 /nfs/dbraw/zinc/78/03/55/1078780355.db2.gz PLDIAXJISYNCNJ-MGTHKWJCSA-N 0 3 414.506 0.715 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000556487678 1078775761 /nfs/dbraw/zinc/77/57/61/1078775761.db2.gz DJXAVRMANJVYGN-IBGZPJMESA-N 0 3 424.523 0.950 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000556487678 1078775752 /nfs/dbraw/zinc/77/57/52/1078775752.db2.gz DJXAVRMANJVYGN-IBGZPJMESA-N 0 3 424.523 0.950 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000556487679 1078775952 /nfs/dbraw/zinc/77/59/52/1078775952.db2.gz DJXAVRMANJVYGN-LJQANCHMSA-N 0 3 424.523 0.950 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000556487679 1078775948 /nfs/dbraw/zinc/77/59/48/1078775948.db2.gz DJXAVRMANJVYGN-LJQANCHMSA-N 0 3 424.523 0.950 20 0 HCADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C[C@@H](C)C1 ZINC000556488079 1078775004 /nfs/dbraw/zinc/77/50/04/1078775004.db2.gz CAXNPJQYSXYIBZ-DAYGRLMNSA-N 0 3 412.494 0.698 20 0 HCADHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C[C@@H](C)C1 ZINC000556488082 1078775115 /nfs/dbraw/zinc/77/51/15/1078775115.db2.gz CAXNPJQYSXYIBZ-HDMKZQKVSA-N 0 3 412.494 0.698 20 0 HCADHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C[C@@H](C)C1 ZINC000556488084 1078774967 /nfs/dbraw/zinc/77/49/67/1078774967.db2.gz CAXNPJQYSXYIBZ-MPGHIAIKSA-N 0 3 412.494 0.698 20 0 HCADHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C[C@@H](C)C1 ZINC000556488086 1078775190 /nfs/dbraw/zinc/77/51/90/1078775190.db2.gz CAXNPJQYSXYIBZ-RLFYNMQTSA-N 0 3 412.494 0.698 20 0 HCADHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000556489305 1078775530 /nfs/dbraw/zinc/77/55/30/1078775530.db2.gz IKXFHQCDPIAXPF-CAOSSQGBSA-N 0 3 423.539 0.370 20 0 HCADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000556489310 1078775868 /nfs/dbraw/zinc/77/58/68/1078775868.db2.gz IKXFHQCDPIAXPF-JJXSEGSLSA-N 0 3 423.539 0.370 20 0 HCADHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000556489313 1078775977 /nfs/dbraw/zinc/77/59/77/1078775977.db2.gz IKXFHQCDPIAXPF-JONQDZQNSA-N 0 3 423.539 0.370 20 0 HCADHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000556489315 1078775663 /nfs/dbraw/zinc/77/56/63/1078775663.db2.gz IKXFHQCDPIAXPF-ZJIFWQFVSA-N 0 3 423.539 0.370 20 0 HCADHN Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@@H](C)C3)c2C)no1 ZINC000556491219 1078776935 /nfs/dbraw/zinc/77/69/35/1078776935.db2.gz VUWRWDPGACUCKT-LALPHHSUSA-N 0 3 416.486 0.453 20 0 HCADHN Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@H](C)C3)c2C)no1 ZINC000556491220 1078777134 /nfs/dbraw/zinc/77/71/34/1078777134.db2.gz VUWRWDPGACUCKT-SLEUVZQESA-N 0 3 416.486 0.453 20 0 HCADHN Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@@H](C)C3)c2C)no1 ZINC000556491221 1078776884 /nfs/dbraw/zinc/77/68/84/1078776884.db2.gz VUWRWDPGACUCKT-TYNCELHUSA-N 0 3 416.486 0.453 20 0 HCADHN Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@H](C)C3)c2C)no1 ZINC000556491222 1078776747 /nfs/dbraw/zinc/77/67/47/1078776747.db2.gz VUWRWDPGACUCKT-YWPYICTPSA-N 0 3 416.486 0.453 20 0 HCADHN C[C@H]1C[C@@H](O)CCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000556501272 1078780906 /nfs/dbraw/zinc/78/09/06/1078780906.db2.gz FTRIZMCQGUXBRZ-KSSFIOAISA-N 0 3 402.495 0.694 20 0 HCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000556502918 1078791147 /nfs/dbraw/zinc/79/11/47/1078791147.db2.gz CLTHAABRPKTYFD-HNNXBMFYSA-N 0 3 408.524 0.679 20 0 HCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000556502919 1078790981 /nfs/dbraw/zinc/79/09/81/1078790981.db2.gz CLTHAABRPKTYFD-OAHLLOKOSA-N 0 3 408.524 0.679 20 0 HCADHN CNC(=O)[C@H](C)NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000556504434 1078791078 /nfs/dbraw/zinc/79/10/78/1078791078.db2.gz JGZIYJPUMJOXOJ-DOTOQJQBSA-N 0 3 412.494 0.828 20 0 HCADHN CNC(=O)[C@H](C)NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000556504437 1078791024 /nfs/dbraw/zinc/79/10/24/1078791024.db2.gz JGZIYJPUMJOXOJ-RDJZCZTQSA-N 0 3 412.494 0.828 20 0 HCADHN COc1c(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc(Cl)cc1C(N)=O ZINC000556505544 1078784464 /nfs/dbraw/zinc/78/44/64/1078784464.db2.gz LAVJSFPBQTWRKW-UHFFFAOYSA-N 0 3 411.890 0.140 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)N1CCCC[C@H]1C ZINC000556507037 1078785946 /nfs/dbraw/zinc/78/59/46/1078785946.db2.gz ZSXCGRTZLPHFOX-CABCVRRESA-N 0 3 417.510 0.562 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)N1CCCC[C@@H]1C ZINC000556507040 1078785976 /nfs/dbraw/zinc/78/59/76/1078785976.db2.gz ZSXCGRTZLPHFOX-GJZGRUSLSA-N 0 3 417.510 0.562 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)N1CCCC[C@H]1C ZINC000556507042 1078785915 /nfs/dbraw/zinc/78/59/15/1078785915.db2.gz ZSXCGRTZLPHFOX-HUUCEWRRSA-N 0 3 417.510 0.562 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)N1CCCC[C@@H]1C ZINC000556507043 1078786010 /nfs/dbraw/zinc/78/60/10/1078786010.db2.gz ZSXCGRTZLPHFOX-LSDHHAIUSA-N 0 3 417.510 0.562 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)N1CCC[C@@H](C)C1 ZINC000556508923 1078788202 /nfs/dbraw/zinc/78/82/02/1078788202.db2.gz UBXREKVLIJBDRO-CABCVRRESA-N 0 3 417.510 0.419 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)N1CCC[C@H](C)C1 ZINC000556508924 1078788675 /nfs/dbraw/zinc/78/86/75/1078788675.db2.gz UBXREKVLIJBDRO-GJZGRUSLSA-N 0 3 417.510 0.419 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)N1CCC[C@@H](C)C1 ZINC000556508925 1078788786 /nfs/dbraw/zinc/78/87/86/1078788786.db2.gz UBXREKVLIJBDRO-HUUCEWRRSA-N 0 3 417.510 0.419 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)N1CCC[C@H](C)C1 ZINC000556508926 1078788711 /nfs/dbraw/zinc/78/87/11/1078788711.db2.gz UBXREKVLIJBDRO-LSDHHAIUSA-N 0 3 417.510 0.419 20 0 HCADHN Cn1cnc2c1c(=O)n(CCCN1CCN(C)[C@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510004 1078789418 /nfs/dbraw/zinc/78/94/18/1078789418.db2.gz HHSNNOFBZVGBBN-GOSISDBHSA-N 0 3 410.522 0.683 20 0 HCADHN Cn1cnc2c1c(=O)n(CCCN1CCN(C)[C@@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510005 1078789309 /nfs/dbraw/zinc/78/93/09/1078789309.db2.gz HHSNNOFBZVGBBN-SFHVURJKSA-N 0 3 410.522 0.683 20 0 HCADHN CCS(=O)(=O)c1ccc([C@@H](C)NCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000556511066 1078793811 /nfs/dbraw/zinc/79/38/11/1078793811.db2.gz QTPGJGIRHGKXMX-CYBMUJFWSA-N 0 3 419.507 0.578 20 0 HCADHN CCS(=O)(=O)c1ccc([C@H](C)NCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000556511069 1078793565 /nfs/dbraw/zinc/79/35/65/1078793565.db2.gz QTPGJGIRHGKXMX-ZDUSSCGKSA-N 0 3 419.507 0.578 20 0 HCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000556514855 1078800196 /nfs/dbraw/zinc/80/01/96/1078800196.db2.gz ISFBXLRKWGSROI-HOTGVXAUSA-N 0 3 419.526 1.550 20 0 HCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)nn1 ZINC000556514860 1078800155 /nfs/dbraw/zinc/80/01/55/1078800155.db2.gz ISFBXLRKWGSROI-HZPDHXFCSA-N 0 3 419.526 1.550 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)N1CCC(C)CC1 ZINC000556515072 1078799042 /nfs/dbraw/zinc/79/90/42/1078799042.db2.gz NPZWEJSLZPREOQ-HNNXBMFYSA-N 0 3 417.510 0.419 20 0 HCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556519152 1078792225 /nfs/dbraw/zinc/79/22/25/1078792225.db2.gz GIFDKRCQVMYGQK-SJORKVTESA-N 0 3 415.494 0.268 20 0 HCADHN Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cc2)n1 ZINC000556528566 1078816362 /nfs/dbraw/zinc/81/63/62/1078816362.db2.gz HCHWYGDYEYGXBT-IBGZPJMESA-N 0 3 424.505 0.884 20 0 HCADHN Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cc2)n1 ZINC000556528567 1078816295 /nfs/dbraw/zinc/81/62/95/1078816295.db2.gz HCHWYGDYEYGXBT-LJQANCHMSA-N 0 3 424.505 0.884 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnc(CC3CC3)nc2)CC1 ZINC000556528649 1078816344 /nfs/dbraw/zinc/81/63/44/1078816344.db2.gz LQEGOFLBVGMFRJ-INIZCTEOSA-N 0 3 400.483 0.133 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnc(CC3CC3)nc2)CC1 ZINC000556528650 1078816332 /nfs/dbraw/zinc/81/63/32/1078816332.db2.gz LQEGOFLBVGMFRJ-MRXNPFEDSA-N 0 3 400.483 0.133 20 0 HCADHN Cc1cc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)n(C)n1 ZINC000556539892 1078823166 /nfs/dbraw/zinc/82/31/66/1078823166.db2.gz SEEHWXBHZVISGY-UHFFFAOYSA-N 0 3 400.439 0.453 20 0 HCADHN COc1c(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc(Cl)cc1C(N)=O ZINC000556561415 1078835900 /nfs/dbraw/zinc/83/59/00/1078835900.db2.gz UKMXNQMBGIYIAA-KRWDZBQOSA-N 0 3 414.915 0.940 20 0 HCADHN COc1c(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc(Cl)cc1C(N)=O ZINC000556561418 1078835936 /nfs/dbraw/zinc/83/59/36/1078835936.db2.gz UKMXNQMBGIYIAA-QGZVFWFLSA-N 0 3 414.915 0.940 20 0 HCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556561785 1078838471 /nfs/dbraw/zinc/83/84/71/1078838471.db2.gz CUEJBFOSQQIDBV-GASCZTMLSA-N 0 3 417.510 0.562 20 0 HCADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556561788 1078838830 /nfs/dbraw/zinc/83/88/30/1078838830.db2.gz CUEJBFOSQQIDBV-GJZGRUSLSA-N 0 3 417.510 0.562 20 0 HCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556561790 1078838909 /nfs/dbraw/zinc/83/89/09/1078838909.db2.gz CUEJBFOSQQIDBV-HUUCEWRRSA-N 0 3 417.510 0.562 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC ZINC000556564111 1078839280 /nfs/dbraw/zinc/83/92/80/1078839280.db2.gz SVNXZFRDPMCWCS-UHFFFAOYSA-N 0 3 400.863 0.423 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556569201 1078842796 /nfs/dbraw/zinc/84/27/96/1078842796.db2.gz GGUSEJGWVIQDDL-KRWDZBQOSA-N 0 3 407.536 0.960 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556569205 1078842849 /nfs/dbraw/zinc/84/28/49/1078842849.db2.gz GGUSEJGWVIQDDL-QGZVFWFLSA-N 0 3 407.536 0.960 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579704 1078847208 /nfs/dbraw/zinc/84/72/08/1078847208.db2.gz CQVBWMMKTYYRMT-DLBZAZTESA-N 0 3 405.520 0.713 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579705 1078847340 /nfs/dbraw/zinc/84/73/40/1078847340.db2.gz CQVBWMMKTYYRMT-IAGOWNOFSA-N 0 3 405.520 0.713 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579706 1078847376 /nfs/dbraw/zinc/84/73/76/1078847376.db2.gz CQVBWMMKTYYRMT-IRXDYDNUSA-N 0 3 405.520 0.713 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579707 1078847264 /nfs/dbraw/zinc/84/72/64/1078847264.db2.gz CQVBWMMKTYYRMT-SJORKVTESA-N 0 3 405.520 0.713 20 0 HCADHN COc1ccc([C@H](CN(C)C)NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000556588056 1078850164 /nfs/dbraw/zinc/85/01/64/1078850164.db2.gz HJVCBKFOPJLQGL-INIZCTEOSA-N 0 3 409.512 0.435 20 0 HCADHN COc1ccc([C@@H](CN(C)C)NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000556588062 1078850079 /nfs/dbraw/zinc/85/00/79/1078850079.db2.gz HJVCBKFOPJLQGL-MRXNPFEDSA-N 0 3 409.512 0.435 20 0 HCADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000556588259 1078850037 /nfs/dbraw/zinc/85/00/37/1078850037.db2.gz BIWRLXDAOPAJTK-AZUAARDMSA-N 0 3 418.538 0.595 20 0 HCADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000556588261 1078850048 /nfs/dbraw/zinc/85/00/48/1078850048.db2.gz BIWRLXDAOPAJTK-ICSRJNTNSA-N 0 3 418.538 0.595 20 0 HCADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000556588263 1078850121 /nfs/dbraw/zinc/85/01/21/1078850121.db2.gz BIWRLXDAOPAJTK-QUCCMNQESA-N 0 3 418.538 0.595 20 0 HCADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000556588264 1078850099 /nfs/dbraw/zinc/85/00/99/1078850099.db2.gz BIWRLXDAOPAJTK-UYAOXDASSA-N 0 3 418.538 0.595 20 0 HCADHN COc1ccc([C@H](CN(C)C)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000556589458 1078846847 /nfs/dbraw/zinc/84/68/47/1078846847.db2.gz LNYRPRISSFSBGG-KRWDZBQOSA-N 0 3 423.539 0.825 20 0 HCADHN COc1ccc([C@@H](CN(C)C)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000556589459 1078846927 /nfs/dbraw/zinc/84/69/27/1078846927.db2.gz LNYRPRISSFSBGG-QGZVFWFLSA-N 0 3 423.539 0.825 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](CO)O3)c(C)c2)CC1 ZINC000556593375 1078854580 /nfs/dbraw/zinc/85/45/80/1078854580.db2.gz YBJRPVIUOQFALN-MSOLQXFVSA-N 0 3 404.511 0.732 20 0 HCADHN COCC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000556594933 1078850821 /nfs/dbraw/zinc/85/08/21/1078850821.db2.gz BLCIMFGLFTWOEW-UHFFFAOYSA-N 0 3 422.501 0.470 20 0 HCADHN COCC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000556594960 1078851136 /nfs/dbraw/zinc/85/11/36/1078851136.db2.gz CKVBYSLPTWWHCU-UHFFFAOYSA-N 0 3 410.540 0.392 20 0 HCADHN COCC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000556595287 1078850865 /nfs/dbraw/zinc/85/08/65/1078850865.db2.gz JJGRVECQWFLQBT-UHFFFAOYSA-N 0 3 408.499 0.232 20 0 HCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCc1nnc2n1CCCC2 ZINC000556602886 1078856281 /nfs/dbraw/zinc/85/62/81/1078856281.db2.gz DJFHQWKKKHREIJ-UHFFFAOYSA-N 0 3 402.474 0.960 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)N1CCC[C@@H](C)C1 ZINC000556626434 1078874084 /nfs/dbraw/zinc/87/40/84/1078874084.db2.gz NDWBTLDDNQBALD-CVEARBPZSA-N 0 3 406.531 0.124 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)N1CCC[C@H](C)C1 ZINC000556626438 1078874160 /nfs/dbraw/zinc/87/41/60/1078874160.db2.gz NDWBTLDDNQBALD-HOTGVXAUSA-N 0 3 406.531 0.124 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)N1CCC[C@@H](C)C1 ZINC000556626439 1078874106 /nfs/dbraw/zinc/87/41/06/1078874106.db2.gz NDWBTLDDNQBALD-HZPDHXFCSA-N 0 3 406.531 0.124 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)N1CCC[C@H](C)C1 ZINC000556626440 1078874113 /nfs/dbraw/zinc/87/41/13/1078874113.db2.gz NDWBTLDDNQBALD-JKSUJKDBSA-N 0 3 406.531 0.124 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)N1CCC(C)CC1 ZINC000556627498 1078866809 /nfs/dbraw/zinc/86/68/09/1078866809.db2.gz VFXDLVWTSYVYAK-INIZCTEOSA-N 0 3 406.531 0.124 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)N1CCC(C)CC1 ZINC000556627499 1078866887 /nfs/dbraw/zinc/86/68/87/1078866887.db2.gz VFXDLVWTSYVYAK-MRXNPFEDSA-N 0 3 406.531 0.124 20 0 HCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000556627899 1078868524 /nfs/dbraw/zinc/86/85/24/1078868524.db2.gz WUVIJDVOWKBPIC-INIZCTEOSA-N 0 3 406.531 0.268 20 0 HCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000556627905 1078868454 /nfs/dbraw/zinc/86/84/54/1078868454.db2.gz WUVIJDVOWKBPIC-MRXNPFEDSA-N 0 3 406.531 0.268 20 0 HCADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H](C)O1 ZINC000556637678 1078881022 /nfs/dbraw/zinc/88/10/22/1078881022.db2.gz DEVKIJDQQNEAGF-NSHGMRRFSA-N 0 3 404.555 0.843 20 0 HCADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@H](C)O1 ZINC000556637683 1078881067 /nfs/dbraw/zinc/88/10/67/1078881067.db2.gz DEVKIJDQQNEAGF-WSTZPKSXSA-N 0 3 404.555 0.843 20 0 HCADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)CC2 ZINC000556637691 1078881356 /nfs/dbraw/zinc/88/13/56/1078881356.db2.gz DFRPACAJAUMFFQ-DLBZAZTESA-N 0 3 414.510 0.145 20 0 HCADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)CC2 ZINC000556637697 1078874714 /nfs/dbraw/zinc/87/47/14/1078874714.db2.gz DFRPACAJAUMFFQ-IAGOWNOFSA-N 0 3 414.510 0.145 20 0 HCADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)CC2 ZINC000556637698 1078874770 /nfs/dbraw/zinc/87/47/70/1078874770.db2.gz DFRPACAJAUMFFQ-IRXDYDNUSA-N 0 3 414.510 0.145 20 0 HCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000556637762 1078874783 /nfs/dbraw/zinc/87/47/83/1078874783.db2.gz GSVYEOSLWZGHFZ-INIZCTEOSA-N 0 3 401.511 0.896 20 0 HCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000556637763 1078874698 /nfs/dbraw/zinc/87/46/98/1078874698.db2.gz GSVYEOSLWZGHFZ-MRXNPFEDSA-N 0 3 401.511 0.896 20 0 HCADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)CC2 ZINC000556638462 1078881401 /nfs/dbraw/zinc/88/14/01/1078881401.db2.gz DFRPACAJAUMFFQ-SJORKVTESA-N 0 3 414.510 0.145 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000556638847 1078883201 /nfs/dbraw/zinc/88/32/01/1078883201.db2.gz MHOVFCJEYPHMNG-LEWJYISDSA-N 0 3 416.566 0.846 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000556638855 1078883129 /nfs/dbraw/zinc/88/31/29/1078883129.db2.gz MHOVFCJEYPHMNG-SFTDATJTSA-N 0 3 416.566 0.846 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000556638858 1078883412 /nfs/dbraw/zinc/88/34/12/1078883412.db2.gz MIOJZLPSGYECOC-GOSISDBHSA-N 0 3 402.539 0.992 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000556638867 1078883149 /nfs/dbraw/zinc/88/31/49/1078883149.db2.gz MIOJZLPSGYECOC-SFHVURJKSA-N 0 3 402.539 0.992 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000556639607 1078884157 /nfs/dbraw/zinc/88/41/57/1078884157.db2.gz NPQJAZQKVWTYPP-GOSISDBHSA-N 0 3 414.485 0.553 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000556639609 1078884142 /nfs/dbraw/zinc/88/41/42/1078884142.db2.gz NPQJAZQKVWTYPP-SFHVURJKSA-N 0 3 414.485 0.553 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000556639626 1078884173 /nfs/dbraw/zinc/88/41/73/1078884173.db2.gz NWFQITBIAUISRO-MOPGFXCFSA-N 0 3 412.538 0.794 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000556639634 1078884660 /nfs/dbraw/zinc/88/46/60/1078884660.db2.gz NWFQITBIAUISRO-OALUTQOASA-N 0 3 412.538 0.794 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000556639636 1078884459 /nfs/dbraw/zinc/88/44/59/1078884459.db2.gz NWFQITBIAUISRO-RBUKOAKNSA-N 0 3 412.538 0.794 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000556639637 1078884559 /nfs/dbraw/zinc/88/45/59/1078884559.db2.gz NWFQITBIAUISRO-RTBURBONSA-N 0 3 412.538 0.794 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000556640366 1078883483 /nfs/dbraw/zinc/88/34/83/1078883483.db2.gz RIHOJPHNLFXYKM-MSOLQXFVSA-N 0 3 424.567 0.063 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000556640367 1078883618 /nfs/dbraw/zinc/88/36/18/1078883618.db2.gz RIHOJPHNLFXYKM-QZTJIDSGSA-N 0 3 424.567 0.063 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000556640368 1078883470 /nfs/dbraw/zinc/88/34/70/1078883470.db2.gz RIHOJPHNLFXYKM-ROUUACIJSA-N 0 3 424.567 0.063 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000556640369 1078883536 /nfs/dbraw/zinc/88/35/36/1078883536.db2.gz RIHOJPHNLFXYKM-ZWKOTPCHSA-N 0 3 424.567 0.063 20 0 HCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](Cc3ccccc3)CN(C)C)CC2)on1 ZINC000556640970 1078885035 /nfs/dbraw/zinc/88/50/35/1078885035.db2.gz UPOTZFFUYFNDMG-IBGZPJMESA-N 0 3 413.522 0.916 20 0 HCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](Cc3ccccc3)CN(C)C)CC2)on1 ZINC000556640977 1078885284 /nfs/dbraw/zinc/88/52/84/1078885284.db2.gz UPOTZFFUYFNDMG-LJQANCHMSA-N 0 3 413.522 0.916 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000556642225 1078886240 /nfs/dbraw/zinc/88/62/40/1078886240.db2.gz YJMRYKDPMNUMSD-PMACEKPBSA-N 0 3 403.523 0.930 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000556642228 1078886244 /nfs/dbraw/zinc/88/62/44/1078886244.db2.gz YJMRYKDPMNUMSD-UXHICEINSA-N 0 3 403.523 0.930 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000556642230 1078886271 /nfs/dbraw/zinc/88/62/71/1078886271.db2.gz YJMRYKDPMNUMSD-VQTJNVASSA-N 0 3 403.523 0.930 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000556642232 1078886223 /nfs/dbraw/zinc/88/62/23/1078886223.db2.gz YJMRYKDPMNUMSD-WOJBJXKFSA-N 0 3 403.523 0.930 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000556642912 1078887422 /nfs/dbraw/zinc/88/74/22/1078887422.db2.gz YSXDJUATYJDWSU-FQEVSTJZSA-N 0 3 412.538 0.353 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000556642913 1078887451 /nfs/dbraw/zinc/88/74/51/1078887451.db2.gz YSXDJUATYJDWSU-HXUWFJFHSA-N 0 3 412.538 0.353 20 0 HCADHN Cc1nccc(CNC(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)n1 ZINC000556644382 1078887782 /nfs/dbraw/zinc/88/77/82/1078887782.db2.gz FDXDJMLTNUBYNE-UHFFFAOYSA-N 0 3 410.522 0.677 20 0 HCADHN CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000556685755 1078909841 /nfs/dbraw/zinc/90/98/41/1078909841.db2.gz YUQUQRJBVPXZHE-IBGZPJMESA-N 0 3 417.554 0.804 20 0 HCADHN CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000556685756 1078909926 /nfs/dbraw/zinc/90/99/26/1078909926.db2.gz YUQUQRJBVPXZHE-LJQANCHMSA-N 0 3 417.554 0.804 20 0 HCADHN CN(CCN(CCN1CCCCC1)C(=O)c1cn(C)cn1)C(=O)c1cn(C)cn1 ZINC000556841692 1079004208 /nfs/dbraw/zinc/00/42/08/1079004208.db2.gz GQBFUYUINQFOTR-UHFFFAOYSA-N 0 3 401.515 0.854 20 0 HCADHN CN(CCN(CCN1CCCCC1)C(=O)c1cnn(C)c1)C(=O)c1cnn(C)c1 ZINC000556841961 1079004966 /nfs/dbraw/zinc/00/49/66/1079004966.db2.gz KZYOLAOCQXOTBZ-UHFFFAOYSA-N 0 3 401.515 0.854 20 0 HCADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000556849740 1079006667 /nfs/dbraw/zinc/00/66/67/1079006667.db2.gz AFARNWOKLDWPMR-JXFKEZNVSA-N 0 3 407.536 0.660 20 0 HCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000556849745 1079006580 /nfs/dbraw/zinc/00/65/80/1079006580.db2.gz AFARNWOKLDWPMR-OXJNMPFZSA-N 0 3 407.536 0.660 20 0 HCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000556849746 1079006543 /nfs/dbraw/zinc/00/65/43/1079006543.db2.gz AFARNWOKLDWPMR-OXQOHEQNSA-N 0 3 407.536 0.660 20 0 HCADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000556849748 1079006611 /nfs/dbraw/zinc/00/66/11/1079006611.db2.gz AFARNWOKLDWPMR-UZLBHIALSA-N 0 3 407.536 0.660 20 0 HCADHN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NC[C@]1(O)CN2CCC1CC2 ZINC000556850005 1079007017 /nfs/dbraw/zinc/00/70/17/1079007017.db2.gz FWPTYJSQFDNUFX-INIZCTEOSA-N 0 3 421.441 0.557 20 0 HCADHN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NC[C@@]1(O)CN2CCC1CC2 ZINC000556850012 1079006967 /nfs/dbraw/zinc/00/69/67/1079006967.db2.gz FWPTYJSQFDNUFX-MRXNPFEDSA-N 0 3 421.441 0.557 20 0 HCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000556850085 1079007067 /nfs/dbraw/zinc/00/70/67/1079007067.db2.gz JGABHGBZKIAVLW-FXAWDEMLSA-N 0 3 423.535 0.330 20 0 HCADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000556850086 1079006928 /nfs/dbraw/zinc/00/69/28/1079006928.db2.gz JGABHGBZKIAVLW-PXNSSMCTSA-N 0 3 423.535 0.330 20 0 HCADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000556850087 1079007142 /nfs/dbraw/zinc/00/71/42/1079007142.db2.gz JGABHGBZKIAVLW-XLIONFOSSA-N 0 3 423.535 0.330 20 0 HCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000556850088 1079007658 /nfs/dbraw/zinc/00/76/58/1079007658.db2.gz JGABHGBZKIAVLW-YLJYHZDGSA-N 0 3 423.535 0.330 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000556850571 1079007198 /nfs/dbraw/zinc/00/71/98/1079007198.db2.gz OXPOTELBALVHKJ-IBGZPJMESA-N 0 3 409.508 0.131 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000556850577 1079007044 /nfs/dbraw/zinc/00/70/44/1079007044.db2.gz OXPOTELBALVHKJ-LJQANCHMSA-N 0 3 409.508 0.131 20 0 HCADHN O=C(CNC(=O)c1ccc(Br)s1)NC[C@]1(O)CN2CCC1CC2 ZINC000556850734 1079007184 /nfs/dbraw/zinc/00/71/84/1079007184.db2.gz KWDYKIMFXYRVOD-HNNXBMFYSA-N 0 3 402.314 0.813 20 0 HCADHN O=C(CNC(=O)c1ccc(Br)s1)NC[C@@]1(O)CN2CCC1CC2 ZINC000556850738 1079006993 /nfs/dbraw/zinc/00/69/93/1079006993.db2.gz KWDYKIMFXYRVOD-OAHLLOKOSA-N 0 3 402.314 0.813 20 0 HCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@@]1(O)CN2CCC1CC2 ZINC000556850971 1079007593 /nfs/dbraw/zinc/00/75/93/1079007593.db2.gz XPHKEFFGAQNCJO-GOSISDBHSA-N 0 3 424.295 0.747 20 0 HCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@]1(O)CN2CCC1CC2 ZINC000556850974 1079007370 /nfs/dbraw/zinc/00/73/70/1079007370.db2.gz XPHKEFFGAQNCJO-SFHVURJKSA-N 0 3 424.295 0.747 20 0 HCADHN COc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1S(=O)(=O)N1CCCC1 ZINC000556851435 1079007572 /nfs/dbraw/zinc/00/75/72/1079007572.db2.gz QEPTVWONDMTFSP-FQEVSTJZSA-N 0 3 423.535 0.666 20 0 HCADHN COc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1S(=O)(=O)N1CCCC1 ZINC000556851440 1079007417 /nfs/dbraw/zinc/00/74/17/1079007417.db2.gz QEPTVWONDMTFSP-HXUWFJFHSA-N 0 3 423.535 0.666 20 0 HCADHN O=C(NC[C@]1(O)CN2CCC1CC2)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000556851455 1079007552 /nfs/dbraw/zinc/00/75/52/1079007552.db2.gz QKSYCCLRPATYJW-FQEVSTJZSA-N 0 3 407.536 0.660 20 0 HCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000556851456 1079007636 /nfs/dbraw/zinc/00/76/36/1079007636.db2.gz QKSYCCLRPATYJW-HXUWFJFHSA-N 0 3 407.536 0.660 20 0 HCADHN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NC[C@]1(O)CN2CCC1CC2 ZINC000556851751 1079007512 /nfs/dbraw/zinc/00/75/12/1079007512.db2.gz XGFXYWPSXMTAOE-NRFANRHFSA-N 0 3 421.563 0.807 20 0 HCADHN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NC[C@@]1(O)CN2CCC1CC2 ZINC000556851753 1079007474 /nfs/dbraw/zinc/00/74/74/1079007474.db2.gz XGFXYWPSXMTAOE-OAQYLSRUSA-N 0 3 421.563 0.807 20 0 HCADHN Cn1cc([C@@H]2[C@H](C(=O)NC[C@]3(O)CN4CCC3CC4)CC(=O)N2C(C)(C)C)cn1 ZINC000556852384 1079007906 /nfs/dbraw/zinc/00/79/06/1079007906.db2.gz BCGGBSZNSLUABN-BLIXFSHQSA-N 0 3 403.527 0.681 20 0 HCADHN Cn1cc([C@@H]2[C@@H](C(=O)NC[C@]3(O)CN4CCC3CC4)CC(=O)N2C(C)(C)C)cn1 ZINC000556852385 1079008097 /nfs/dbraw/zinc/00/80/97/1079008097.db2.gz BCGGBSZNSLUABN-CDXJDZJCSA-N 0 3 403.527 0.681 20 0 HCADHN Cn1cc([C@@H]2[C@H](C(=O)NC[C@@]3(O)CN4CCC3CC4)CC(=O)N2C(C)(C)C)cn1 ZINC000556852386 1079008056 /nfs/dbraw/zinc/00/80/56/1079008056.db2.gz BCGGBSZNSLUABN-HGHGUNKESA-N 0 3 403.527 0.681 20 0 HCADHN Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@]3(O)CN4CCC3CC4)CC(=O)N2C(C)(C)C)cn1 ZINC000556852387 1079007821 /nfs/dbraw/zinc/00/78/21/1079007821.db2.gz BCGGBSZNSLUABN-YRISNDGFSA-N 0 3 403.527 0.681 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000556852398 1079008036 /nfs/dbraw/zinc/00/80/36/1079008036.db2.gz COIZWCGGBPAVMK-IBGZPJMESA-N 0 3 411.524 0.106 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000556852399 1079007864 /nfs/dbraw/zinc/00/78/64/1079007864.db2.gz COIZWCGGBPAVMK-LJQANCHMSA-N 0 3 411.524 0.106 20 0 HCADHN CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000556852860 1079008016 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ZINC000556928380 1079039243 /nfs/dbraw/zinc/03/92/43/1079039243.db2.gz AINDUCFGQNCPRA-MRXNPFEDSA-N 0 3 403.458 0.920 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1=O ZINC000556928543 1079039284 /nfs/dbraw/zinc/03/92/84/1079039284.db2.gz DRTXGORXOPJYIM-AWEZNQCLSA-N 0 3 421.473 0.264 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1=O ZINC000556928545 1079039428 /nfs/dbraw/zinc/03/94/28/1079039428.db2.gz DRTXGORXOPJYIM-CQSZACIVSA-N 0 3 421.473 0.264 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1=O ZINC000556928549 1079039267 /nfs/dbraw/zinc/03/92/67/1079039267.db2.gz DYTDTFUXKYYIAB-INIZCTEOSA-N 0 3 413.478 0.141 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1=O ZINC000556928571 1079039303 /nfs/dbraw/zinc/03/93/03/1079039303.db2.gz DYTDTFUXKYYIAB-MRXNPFEDSA-N 0 3 413.478 0.141 20 0 HCADHN CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)c1 ZINC000556928776 1079039366 /nfs/dbraw/zinc/03/93/66/1079039366.db2.gz 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COCCN(C)CCN1C[C@@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)CC1=O ZINC000556933805 1079040772 /nfs/dbraw/zinc/04/07/72/1079040772.db2.gz PDOVVDHRWUITMJ-INIZCTEOSA-N 0 3 415.494 0.000 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)CC1=O ZINC000556933806 1079040817 /nfs/dbraw/zinc/04/08/17/1079040817.db2.gz PDOVVDHRWUITMJ-MRXNPFEDSA-N 0 3 415.494 0.000 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1=O ZINC000556934259 1079041133 /nfs/dbraw/zinc/04/11/33/1079041133.db2.gz RBCBRTQQXQSBOZ-GOSISDBHSA-N 0 3 402.495 0.944 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1=O ZINC000556934263 1079041308 /nfs/dbraw/zinc/04/13/08/1079041308.db2.gz RBCBRTQQXQSBOZ-SFHVURJKSA-N 0 3 402.495 0.944 20 0 HCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000556963084 1079052711 /nfs/dbraw/zinc/05/27/11/1079052711.db2.gz JYSFLHGRNCUZHG-DLBZAZTESA-N 0 3 408.524 0.961 20 0 HCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3[C@@H]4CC[C@H]3CCN(C)C4)CC2)cn1C ZINC000556965629 1079053481 /nfs/dbraw/zinc/05/34/81/1079053481.db2.gz CFHBGJUQTMNWQL-DLBZAZTESA-N 0 3 409.556 0.824 20 0 HCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000556966709 1079053578 /nfs/dbraw/zinc/05/35/78/1079053578.db2.gz SQKKEWQFFFVLHV-JKSUJKDBSA-N 0 3 410.540 0.574 20 0 HCADHN CCCn1c(CCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC000556974947 1079056264 /nfs/dbraw/zinc/05/62/64/1079056264.db2.gz OSGIYAYYWHHANT-IRXDYDNUSA-N 0 3 423.539 0.160 20 0 HCADHN CN(C)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C[C@@H]1O ZINC000556975003 1079059711 /nfs/dbraw/zinc/05/97/11/1079059711.db2.gz DCSAINIKPHLNGO-HOTGVXAUSA-N 0 3 417.478 0.499 20 0 HCADHN CN(C)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@@H]1O ZINC000556975317 1079058871 /nfs/dbraw/zinc/05/88/71/1079058871.db2.gz GXPYETYYPGTRQJ-PMACEKPBSA-N 0 3 421.563 0.709 20 0 HCADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000556975380 1079059343 /nfs/dbraw/zinc/05/93/43/1079059343.db2.gz HMFTUOJVXQYIJH-GOSISDBHSA-N 0 3 402.495 0.973 20 0 HCADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000556975382 1079059226 /nfs/dbraw/zinc/05/92/26/1079059226.db2.gz HMFTUOJVXQYIJH-SFHVURJKSA-N 0 3 402.495 0.973 20 0 HCADHN COc1cc(N2C[C@@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CC2=O)cc(OC)c1OC ZINC000556975473 1079058988 /nfs/dbraw/zinc/05/89/88/1079058988.db2.gz VYCRFIODTFYTRV-QEJZJMRPSA-N 0 3 407.467 0.199 20 0 HCADHN COc1cc(N2C[C@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CC2=O)cc(OC)c1OC ZINC000556975477 1079058953 /nfs/dbraw/zinc/05/89/53/1079058953.db2.gz VYCRFIODTFYTRV-SNPRPXQTSA-N 0 3 407.467 0.199 20 0 HCADHN CN(C)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@@H]1O ZINC000556976254 1079060146 /nfs/dbraw/zinc/06/01/46/1079060146.db2.gz MMHJPGYVCLWZTM-OALUTQOASA-N 0 3 409.552 0.927 20 0 HCADHN CN(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C[C@@H]1O ZINC000556978470 1079061476 /nfs/dbraw/zinc/06/14/76/1079061476.db2.gz PNDBZEJLNSIKID-IRXDYDNUSA-N 0 3 409.533 0.974 20 0 HCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000556985996 1079066294 /nfs/dbraw/zinc/06/62/94/1079066294.db2.gz MOBKJPSPYPTOBR-UHFFFAOYSA-N 0 3 416.588 0.615 20 0 HCADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000556986774 1079066859 /nfs/dbraw/zinc/06/68/59/1079066859.db2.gz SNEYPIIRQDYKLR-HKUYNNGSSA-N 0 3 416.522 0.521 20 0 HCADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000556986781 1079066437 /nfs/dbraw/zinc/06/64/37/1079066437.db2.gz SNEYPIIRQDYKLR-IEBWSBKVSA-N 0 3 416.522 0.521 20 0 HCADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000556986784 1079066243 /nfs/dbraw/zinc/06/62/43/1079066243.db2.gz SNEYPIIRQDYKLR-MJGOQNOKSA-N 0 3 416.522 0.521 20 0 HCADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000556986786 1079066415 /nfs/dbraw/zinc/06/64/15/1079066415.db2.gz SNEYPIIRQDYKLR-PKOBYXMFSA-N 0 3 416.522 0.521 20 0 HCADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000556987388 1079068112 /nfs/dbraw/zinc/06/81/12/1079068112.db2.gz ZSCKBNQBOITKEU-AWEZNQCLSA-N 0 3 410.465 0.982 20 0 HCADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000556987389 1079068034 /nfs/dbraw/zinc/06/80/34/1079068034.db2.gz ZSCKBNQBOITKEU-CQSZACIVSA-N 0 3 410.465 0.982 20 0 HCADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000556988527 1079069253 /nfs/dbraw/zinc/06/92/53/1079069253.db2.gz GXNSIRIXTVYWIT-KRWDZBQOSA-N 0 3 415.538 0.674 20 0 HCADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000556988528 1079069224 /nfs/dbraw/zinc/06/92/24/1079069224.db2.gz GXNSIRIXTVYWIT-QGZVFWFLSA-N 0 3 415.538 0.674 20 0 HCADHN CCN1CCN(c2cccc(NC(=O)C3CCN(S(=O)(=O)NC)CC3)c2)CC1 ZINC000556991806 1079070949 /nfs/dbraw/zinc/07/09/49/1079070949.db2.gz KEKJSWYSJKVFHJ-UHFFFAOYSA-N 0 3 409.556 0.943 20 0 HCADHN CCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000556994670 1079064571 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C[C@@H]1CN(C[C@H]2CCCN2C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000598323808 1073449947 /nfs/dbraw/zinc/44/99/47/1073449947.db2.gz LVGWSQIZZWFXGT-ZHALLVOQSA-N 0 3 409.575 0.822 20 0 HCADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000598323809 1073450265 /nfs/dbraw/zinc/45/02/65/1073450265.db2.gz LVGWSQIZZWFXGT-ZIFCJYIRSA-N 0 3 409.575 0.822 20 0 HCADHN O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000598344373 1073452003 /nfs/dbraw/zinc/45/20/03/1073452003.db2.gz COCQXDPKWVUQKD-HNNXBMFYSA-N 0 3 424.498 0.905 20 0 HCADHN O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000598344376 1073451257 /nfs/dbraw/zinc/45/12/57/1073451257.db2.gz COCQXDPKWVUQKD-OAHLLOKOSA-N 0 3 424.498 0.905 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000598360345 1073463603 /nfs/dbraw/zinc/46/36/03/1073463603.db2.gz YGXMOFLFZJGFQO-UHFFFAOYSA-N 0 3 400.501 0.139 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCOC[C@H]3CCOC3)ccc2oc1=O ZINC000598365143 1073456131 /nfs/dbraw/zinc/45/61/31/1073456131.db2.gz FLEPHNOJZPQCIV-AWEZNQCLSA-N 0 3 420.466 0.264 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCOC[C@@H]3CCOC3)ccc2oc1=O ZINC000598365144 1073455822 /nfs/dbraw/zinc/45/58/22/1073455822.db2.gz FLEPHNOJZPQCIV-CQSZACIVSA-N 0 3 420.466 0.264 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCOC[C@H]3CCOC3)cc2)CC1 ZINC000598365658 1073454801 /nfs/dbraw/zinc/45/48/01/1073454801.db2.gz NYGZAZMLDQZNDX-IBGZPJMESA-N 0 3 418.538 0.932 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCOC[C@@H]3CCOC3)cc2)CC1 ZINC000598365659 1073454400 /nfs/dbraw/zinc/45/44/00/1073454400.db2.gz NYGZAZMLDQZNDX-LJQANCHMSA-N 0 3 418.538 0.932 20 0 HCADHN CNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 ZINC000598383737 1073464969 /nfs/dbraw/zinc/46/49/69/1073464969.db2.gz AEPNNCMBTJOOPE-UHFFFAOYSA-N 0 3 411.510 0.067 20 0 HCADHN Cc1c(C(=O)NC2CCS(=O)(=O)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000598849333 1073503843 /nfs/dbraw/zinc/50/38/43/1073503843.db2.gz PRZNMTOACFRARI-UHFFFAOYSA-N 0 3 403.508 0.871 20 0 HCADHN C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)CN1CCCCC1 ZINC000598891210 1073508468 /nfs/dbraw/zinc/50/84/68/1073508468.db2.gz RFNGQCPKUNMMCD-CYBMUJFWSA-N 0 3 404.496 0.950 20 0 HCADHN C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)CN1CCCCC1 ZINC000598891221 1073508510 /nfs/dbraw/zinc/50/85/10/1073508510.db2.gz RFNGQCPKUNMMCD-ZDUSSCGKSA-N 0 3 404.496 0.950 20 0 HCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000598929897 1073512772 /nfs/dbraw/zinc/51/27/72/1073512772.db2.gz MEQGFQOHQVTTSS-KZNAEPCWSA-N 0 3 409.527 0.747 20 0 HCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000598929898 1073512676 /nfs/dbraw/zinc/51/26/76/1073512676.db2.gz MEQGFQOHQVTTSS-OKZBNKHCSA-N 0 3 409.527 0.747 20 0 HCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000598929899 1073512807 /nfs/dbraw/zinc/51/28/07/1073512807.db2.gz MEQGFQOHQVTTSS-RCCFBDPRSA-N 0 3 409.527 0.747 20 0 HCADHN CCNC(=O)CN1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000599308388 1073595498 /nfs/dbraw/zinc/59/54/98/1073595498.db2.gz JQIFUTRWAZUNAY-UHFFFAOYSA-N 0 3 401.555 0.869 20 0 HCADHN O=C(CN1CCC(=O)NC1=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000599321373 1073603584 /nfs/dbraw/zinc/60/35/84/1073603584.db2.gz AYCPYGZDMFISQV-KRWDZBQOSA-N 0 3 414.510 0.384 20 0 HCADHN O=C(CN1CCC(=O)NC1=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000599321374 1073603701 /nfs/dbraw/zinc/60/37/01/1073603701.db2.gz AYCPYGZDMFISQV-QGZVFWFLSA-N 0 3 414.510 0.384 20 0 HCADHN CN1CCN(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000599321666 1073603133 /nfs/dbraw/zinc/60/31/33/1073603133.db2.gz MCRPJVPVNKGPDM-FQEVSTJZSA-N 0 3 400.571 0.690 20 0 HCADHN CN1CCN(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000599321772 1073603387 /nfs/dbraw/zinc/60/33/87/1073603387.db2.gz MCRPJVPVNKGPDM-HXUWFJFHSA-N 0 3 400.571 0.690 20 0 HCADHN O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000599368819 1073617408 /nfs/dbraw/zinc/61/74/08/1073617408.db2.gz IAGBYSFDGQXDMI-KRWDZBQOSA-N 0 3 407.536 0.953 20 0 HCADHN O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000599368820 1073617171 /nfs/dbraw/zinc/61/71/71/1073617171.db2.gz IAGBYSFDGQXDMI-QGZVFWFLSA-N 0 3 407.536 0.953 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000599371252 1073611933 /nfs/dbraw/zinc/61/19/33/1073611933.db2.gz DWWPWPWUYUHMRC-UHFFFAOYSA-N 0 3 412.556 0.321 20 0 HCADHN CCCCS(=O)(=O)N1CCC(C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000599371294 1073612103 /nfs/dbraw/zinc/61/21/03/1073612103.db2.gz NJPFQFJGULJLDJ-UHFFFAOYSA-N 0 3 402.605 0.924 20 0 HCADHN CC(=O)NCCNC(=O)CCC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000599401702 1073618046 /nfs/dbraw/zinc/61/80/46/1073618046.db2.gz FZXLHOUJAFIPOU-UHFFFAOYSA-N 0 3 405.455 0.127 20 0 HCADHN CN(C)S(=O)(=O)N1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000599499446 1073637731 /nfs/dbraw/zinc/63/77/31/1073637731.db2.gz BAEHBDAFZMFJJM-UHFFFAOYSA-N 0 3 423.583 0.539 20 0 HCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)[C@H]3CCN(C4CC4)C3)CC2)cn1C ZINC000599866126 1073700362 /nfs/dbraw/zinc/70/03/62/1073700362.db2.gz LFXOAGYEGDFFRV-KRWDZBQOSA-N 0 3 409.556 0.824 20 0 HCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H]3CCN(C4CC4)C3)CC2)cn1C ZINC000599866130 1073700010 /nfs/dbraw/zinc/70/00/10/1073700010.db2.gz LFXOAGYEGDFFRV-QGZVFWFLSA-N 0 3 409.556 0.824 20 0 HCADHN C[C@@H](O)CN1CCN(c2nc(N3CCN(C[C@H](C)O)CC3)nc3ccccc32)CC1 ZINC000599881727 1073703133 /nfs/dbraw/zinc/70/31/33/1073703133.db2.gz INVHXDIIEBTCEV-MSOLQXFVSA-N 0 3 414.554 0.635 20 0 HCADHN C[C@@H](O)CN1CCN(c2nc3ccccc3c(N3CCN(C[C@H](C)O)CC3)n2)CC1 ZINC000599881728 1073703652 /nfs/dbraw/zinc/70/36/52/1073703652.db2.gz INVHXDIIEBTCEV-ZWKOTPCHSA-N 0 3 414.554 0.635 20 0 HCADHN COc1cc2nc(N3CCN(C(=O)CN4CCCC4)CC3)nc(N)c2cc1OC ZINC000599881744 1073703987 /nfs/dbraw/zinc/70/39/87/1073703987.db2.gz ALJVYILCBTXBHI-UHFFFAOYSA-N 0 3 400.483 0.974 20 0 HCADHN CN1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000602518595 1073424859 /nfs/dbraw/zinc/42/48/59/1073424859.db2.gz NFHJVNQVVVOGEC-DLBZAZTESA-N 0 3 403.531 0.675 20 0 HCADHN CN1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000602518597 1073425646 /nfs/dbraw/zinc/42/56/46/1073425646.db2.gz NFHJVNQVVVOGEC-IAGOWNOFSA-N 0 3 403.531 0.675 20 0 HCADHN CN1CCC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000602518599 1073425470 /nfs/dbraw/zinc/42/54/70/1073425470.db2.gz NFHJVNQVVVOGEC-IRXDYDNUSA-N 0 3 403.531 0.675 20 0 HCADHN CN1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000602518601 1073426233 /nfs/dbraw/zinc/42/62/33/1073426233.db2.gz NFHJVNQVVVOGEC-SJORKVTESA-N 0 3 403.531 0.675 20 0 HCADHN CCCN(C(=O)[C@H](C)NC[C@H]1CCCN1c1cccnn1)[C@H]1CCS(=O)(=O)C1 ZINC000602589155 1073432020 /nfs/dbraw/zinc/43/20/20/1073432020.db2.gz MSEZTAXVOXUMAE-BBWFWOEESA-N 0 3 409.556 0.849 20 0 HCADHN CCCN(C(=O)[C@H](C)NC[C@H]1CCCN1c1cccnn1)[C@@H]1CCS(=O)(=O)C1 ZINC000602589157 1073432052 /nfs/dbraw/zinc/43/20/52/1073432052.db2.gz MSEZTAXVOXUMAE-GVDBMIGSSA-N 0 3 409.556 0.849 20 0 HCADHN CCCN(C(=O)[C@H](C)NC[C@@H]1CCCN1c1cccnn1)[C@H]1CCS(=O)(=O)C1 ZINC000602589158 1073431813 /nfs/dbraw/zinc/43/18/13/1073431813.db2.gz MSEZTAXVOXUMAE-ULQDDVLXSA-N 0 3 409.556 0.849 20 0 HCADHN CCCN(C(=O)[C@H](C)NC[C@@H]1CCCN1c1cccnn1)[C@@H]1CCS(=O)(=O)C1 ZINC000602589159 1073432213 /nfs/dbraw/zinc/43/22/13/1073432213.db2.gz MSEZTAXVOXUMAE-YESZJQIVSA-N 0 3 409.556 0.849 20 0 HCADHN C[C@H](NC[C@H]1CCCN1c1cccnn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000602591328 1073432123 /nfs/dbraw/zinc/43/21/23/1073432123.db2.gz QVNBXENOQPAWRR-DZGCQCFKSA-N 0 3 404.496 0.710 20 0 HCADHN C[C@@H](NC[C@@H]1CCCN1c1cccnn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000602591330 1073431761 /nfs/dbraw/zinc/43/17/61/1073431761.db2.gz QVNBXENOQPAWRR-HIFRSBDPSA-N 0 3 404.496 0.710 20 0 HCADHN C[C@@H](NC[C@H]1CCCN1c1cccnn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000602591331 1073432081 /nfs/dbraw/zinc/43/20/81/1073432081.db2.gz QVNBXENOQPAWRR-UKRRQHHQSA-N 0 3 404.496 0.710 20 0 HCADHN C[C@H](NC[C@@H]1CCCN1c1cccnn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000602591333 1073431876 /nfs/dbraw/zinc/43/18/76/1073431876.db2.gz QVNBXENOQPAWRR-ZFWWWQNUSA-N 0 3 404.496 0.710 20 0 HCADHN Cn1c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000603275381 1073501219 /nfs/dbraw/zinc/50/12/19/1073501219.db2.gz XFROJSGHKWJIRJ-UHFFFAOYSA-N 0 3 413.478 0.905 20 0 HCADHN CCN1CCN(CCNC(=O)CC[C@H]2NC(=O)N(c3cccc(C)c3)C2=O)CC1 ZINC000603282593 1073501474 /nfs/dbraw/zinc/50/14/74/1073501474.db2.gz MSQYKAKXMJSKSJ-GOSISDBHSA-N 0 3 401.511 0.954 20 0 HCADHN CCN1CCN(CCNC(=O)CC[C@@H]2NC(=O)N(c3cccc(C)c3)C2=O)CC1 ZINC000603282599 1073501442 /nfs/dbraw/zinc/50/14/42/1073501442.db2.gz MSQYKAKXMJSKSJ-SFHVURJKSA-N 0 3 401.511 0.954 20 0 HCADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000603526942 1073554986 /nfs/dbraw/zinc/55/49/86/1073554986.db2.gz HNQPWTPATMEUTM-IBGZPJMESA-N 0 3 423.583 0.657 20 0 HCADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000603526943 1073555286 /nfs/dbraw/zinc/55/52/86/1073555286.db2.gz HNQPWTPATMEUTM-LJQANCHMSA-N 0 3 423.583 0.657 20 0 HCADHN CN1CCN(CCCCNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000603579368 1073570808 /nfs/dbraw/zinc/57/08/08/1073570808.db2.gz ITTJXXTYPUGPLI-UHFFFAOYSA-N 0 3 404.515 0.441 20 0 HCADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN2CCCC2)o1 ZINC000603602536 1073576840 /nfs/dbraw/zinc/57/68/40/1073576840.db2.gz JOTZMCLHWZRNDL-AWEZNQCLSA-N 0 3 413.496 0.821 20 0 HCADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCN2CCCC2)o1 ZINC000603602537 1073576586 /nfs/dbraw/zinc/57/65/86/1073576586.db2.gz JOTZMCLHWZRNDL-CQSZACIVSA-N 0 3 413.496 0.821 20 0 HCADHN Cc1ccccc1CN1CCCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000603603191 1073576672 /nfs/dbraw/zinc/57/66/72/1073576672.db2.gz QYACBBDFFLQMSI-SFHVURJKSA-N 0 3 422.551 0.516 20 0 HCADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000603618271 1073585689 /nfs/dbraw/zinc/58/56/89/1073585689.db2.gz MDLNYVIUKKNTNL-INIZCTEOSA-N 0 3 409.508 0.646 20 0 HCADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000603618272 1073585548 /nfs/dbraw/zinc/58/55/48/1073585548.db2.gz MDLNYVIUKKNTNL-MRXNPFEDSA-N 0 3 409.508 0.646 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000603668018 1073591171 /nfs/dbraw/zinc/59/11/71/1073591171.db2.gz JIQSLOCPMFPVRT-UHFFFAOYSA-N 0 3 402.451 0.895 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000603668038 1073590947 /nfs/dbraw/zinc/59/09/47/1073590947.db2.gz QEFWJCRHIXHWFN-KRWDZBQOSA-N 0 3 402.495 0.821 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000603668039 1073591668 /nfs/dbraw/zinc/59/16/68/1073591668.db2.gz QEFWJCRHIXHWFN-QGZVFWFLSA-N 0 3 402.495 0.821 20 0 HCADHN O=C(COCC(=O)Nc1ccn(-c2ccncc2)n1)Nc1ccn(-c2ccncc2)n1 ZINC000603675071 1073593099 /nfs/dbraw/zinc/59/30/99/1073593099.db2.gz AYUVYTUSIYNXPP-UHFFFAOYSA-N 0 3 418.417 0.286 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1 ZINC000603714915 1073610715 /nfs/dbraw/zinc/61/07/15/1073610715.db2.gz IQYNRJICXAIMFM-HUUCEWRRSA-N 0 3 418.494 0.907 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1 ZINC000603714916 1073610933 /nfs/dbraw/zinc/61/09/33/1073610933.db2.gz IQYNRJICXAIMFM-LSDHHAIUSA-N 0 3 418.494 0.907 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1 ZINC000603715313 1073609706 /nfs/dbraw/zinc/60/97/06/1073609706.db2.gz MCLBQCLREUYQPN-LSDHHAIUSA-N 0 3 418.494 0.765 20 0 HCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1 ZINC000603715314 1073609539 /nfs/dbraw/zinc/60/95/39/1073609539.db2.gz MCRINPFEDLEDHH-UHFFFAOYSA-N 0 3 418.494 0.449 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1 ZINC000603715329 1073609999 /nfs/dbraw/zinc/60/99/99/1073609999.db2.gz NTODBFLXXQIUKW-UHFFFAOYSA-N 0 3 404.467 0.520 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1 ZINC000603715334 1073609920 /nfs/dbraw/zinc/60/99/20/1073609920.db2.gz OQEYWYDMKFIFGQ-UHFFFAOYSA-N 0 3 418.494 0.910 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000603716188 1073610561 /nfs/dbraw/zinc/61/05/61/1073610561.db2.gz HZQNVHUCXIBARG-OAHLLOKOSA-N 0 3 418.494 0.909 20 0 HCADHN Cc1c(C(=O)N[C@H]2CCCS(=O)(=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000603872391 1073648803 /nfs/dbraw/zinc/64/88/03/1073648803.db2.gz WOGQVUSPCLIKQN-HNNXBMFYSA-N 0 3 403.508 0.871 20 0 HCADHN Cc1c(C(=O)N[C@@H]2CCCS(=O)(=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000603872429 1073648959 /nfs/dbraw/zinc/64/89/59/1073648959.db2.gz WOGQVUSPCLIKQN-OAHLLOKOSA-N 0 3 403.508 0.871 20 0 HCADHN Cc1c(C(=O)N2CCC[C@H]2CS(N)(=O)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000603892111 1073657515 /nfs/dbraw/zinc/65/75/15/1073657515.db2.gz HDTCWNKMVAUWBP-HNNXBMFYSA-N 0 3 418.523 0.457 20 0 HCADHN Cc1c(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000603892119 1073657619 /nfs/dbraw/zinc/65/76/19/1073657619.db2.gz HDTCWNKMVAUWBP-OAHLLOKOSA-N 0 3 418.523 0.457 20 0 HCADHN C[C@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)CN1CCN(C)CC1 ZINC000603896434 1073652523 /nfs/dbraw/zinc/65/25/23/1073652523.db2.gz LPOMDYJZOSOOIF-CYBMUJFWSA-N 0 3 400.483 0.445 20 0 HCADHN C[C@@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)CN1CCN(C)CC1 ZINC000603896435 1073652298 /nfs/dbraw/zinc/65/22/98/1073652298.db2.gz LPOMDYJZOSOOIF-ZDUSSCGKSA-N 0 3 400.483 0.445 20 0 HCADHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000603989103 1073673509 /nfs/dbraw/zinc/67/35/09/1073673509.db2.gz QFJXDVGRHMJAIP-UHFFFAOYSA-N 0 3 412.556 0.910 20 0 HCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000604023274 1073680362 /nfs/dbraw/zinc/68/03/62/1073680362.db2.gz RJZNKEOOWQPQJV-DLBZAZTESA-N 0 3 414.572 0.521 20 0 HCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000604023276 1073680155 /nfs/dbraw/zinc/68/01/55/1073680155.db2.gz RJZNKEOOWQPQJV-IRXDYDNUSA-N 0 3 414.572 0.521 20 0 HCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000604023279 1073680398 /nfs/dbraw/zinc/68/03/98/1073680398.db2.gz RJZNKEOOWQPQJV-SJORKVTESA-N 0 3 414.572 0.521 20 0 HCADHN CCN(CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C[C@@H]1CCOC1 ZINC000604052802 1073686722 /nfs/dbraw/zinc/68/67/22/1073686722.db2.gz LIHAEZWGIXHDMV-INIZCTEOSA-N 0 3 414.528 0.483 20 0 HCADHN CCN(CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C[C@H]1CCOC1 ZINC000604052803 1073686874 /nfs/dbraw/zinc/68/68/74/1073686874.db2.gz LIHAEZWGIXHDMV-MRXNPFEDSA-N 0 3 414.528 0.483 20 0 HCADHN CS(=O)(=O)N1CCN(CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000604079114 1073689612 /nfs/dbraw/zinc/68/96/12/1073689612.db2.gz LGRZLPPVHZXFQO-IBGZPJMESA-N 0 3 423.583 0.527 20 0 HCADHN CS(=O)(=O)N1CCN(CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000604079115 1073689878 /nfs/dbraw/zinc/68/98/78/1073689878.db2.gz LGRZLPPVHZXFQO-LJQANCHMSA-N 0 3 423.583 0.527 20 0 HCADHN O=C(CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000604080217 1073689840 /nfs/dbraw/zinc/68/98/40/1073689840.db2.gz CULJKVILXCOARV-MSOLQXFVSA-N 0 3 422.551 0.644 20 0 HCADHN O=C(CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000604080218 1073689524 /nfs/dbraw/zinc/68/95/24/1073689524.db2.gz CULJKVILXCOARV-QZTJIDSGSA-N 0 3 422.551 0.644 20 0 HCADHN O=C(CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000604080219 1073689715 /nfs/dbraw/zinc/68/97/15/1073689715.db2.gz CULJKVILXCOARV-ROUUACIJSA-N 0 3 422.551 0.644 20 0 HCADHN O=C(CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000604080220 1073689549 /nfs/dbraw/zinc/68/95/49/1073689549.db2.gz CULJKVILXCOARV-ZWKOTPCHSA-N 0 3 422.551 0.644 20 0 HCADHN CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000604082105 1073690509 /nfs/dbraw/zinc/69/05/09/1073690509.db2.gz XKJJXCRYJCYPBP-GOSISDBHSA-N 0 3 409.556 0.785 20 0 HCADHN CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000604082106 1073690446 /nfs/dbraw/zinc/69/04/46/1073690446.db2.gz XKJJXCRYJCYPBP-SFHVURJKSA-N 0 3 409.556 0.785 20 0 HCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000604111502 1073702532 /nfs/dbraw/zinc/70/25/32/1073702532.db2.gz HTMMFZCTQLMMNG-FQEVSTJZSA-N 0 3 418.586 0.860 20 0 HCADHN C[C@H](c1cccnc1)N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000604111503 1073702690 /nfs/dbraw/zinc/70/26/90/1073702690.db2.gz HTMMFZCTQLMMNG-HXUWFJFHSA-N 0 3 418.586 0.860 20 0 HCADHN O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000604116482 1073703450 /nfs/dbraw/zinc/70/34/50/1073703450.db2.gz KQZQKNQNHSVAEV-GOSISDBHSA-N 0 3 412.498 0.192 20 0 HCADHN O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000604116483 1073703284 /nfs/dbraw/zinc/70/32/84/1073703284.db2.gz KQZQKNQNHSVAEV-SFHVURJKSA-N 0 3 412.498 0.192 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2C)CC1 ZINC000604140556 1073709101 /nfs/dbraw/zinc/70/91/01/1073709101.db2.gz YWJGORRWWNCARQ-INIZCTEOSA-N 0 3 420.510 0.628 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2C)CC1 ZINC000604142033 1073709693 /nfs/dbraw/zinc/70/96/93/1073709693.db2.gz DBPMLAGKZHFNDV-UHFFFAOYSA-N 0 3 406.483 0.239 20 0 HCADHN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000604158267 1073715426 /nfs/dbraw/zinc/71/54/26/1073715426.db2.gz DOWIZTVWUPBYEO-MRXNPFEDSA-N 0 3 408.524 0.743 20 0 HCADHN O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000604164663 1073725842 /nfs/dbraw/zinc/72/58/42/1073725842.db2.gz LSQYVXUFIALCPA-GOSISDBHSA-N 0 3 422.551 0.885 20 0 HCADHN O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N[C@H]1CCN(C2CC2)C1 ZINC000604164664 1073725930 /nfs/dbraw/zinc/72/59/30/1073725930.db2.gz LSQYVXUFIALCPA-SFHVURJKSA-N 0 3 422.551 0.885 20 0 HCADHN CN1CCN(C(=O)CC2CCN(C(=O)NCC(C)(C)N3CCN(C)CC3)CC2)CC1 ZINC000604165544 1073727136 /nfs/dbraw/zinc/72/71/36/1073727136.db2.gz CAIOMZUTWFQCBS-UHFFFAOYSA-N 0 3 422.618 0.598 20 0 HCADHN O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N[C@H]1CCN(C2CC2)C1 ZINC000604173644 1073732625 /nfs/dbraw/zinc/73/26/25/1073732625.db2.gz LAQGPCNBINOTNM-INIZCTEOSA-N 0 3 422.555 0.069 20 0 HCADHN O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000604173645 1073732189 /nfs/dbraw/zinc/73/21/89/1073732189.db2.gz LAQGPCNBINOTNM-MRXNPFEDSA-N 0 3 422.555 0.069 20 0 HCADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000604194315 1073743662 /nfs/dbraw/zinc/74/36/62/1073743662.db2.gz IRBRCVXVPNJIOH-GOSISDBHSA-N 0 3 408.591 0.208 20 0 HCADHN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000604194316 1073743809 /nfs/dbraw/zinc/74/38/09/1073743809.db2.gz IRBRCVXVPNJIOH-SFHVURJKSA-N 0 3 408.591 0.208 20 0 HCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000604204842 1073739502 /nfs/dbraw/zinc/73/95/02/1073739502.db2.gz APNNLMKMTGCAOW-CQSZACIVSA-N 0 3 402.524 0.820 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](C(=O)OC)C3)cc2)CC1 ZINC000604216158 1073747320 /nfs/dbraw/zinc/74/73/20/1073747320.db2.gz HOPVWJVROVBROI-KRWDZBQOSA-N 0 3 402.495 0.784 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC000604216159 1073747120 /nfs/dbraw/zinc/74/71/20/1073747120.db2.gz HOPVWJVROVBROI-QGZVFWFLSA-N 0 3 402.495 0.784 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 ZINC000604236219 1073756771 /nfs/dbraw/zinc/75/67/71/1073756771.db2.gz ISWHOCFQWUAPSR-UHFFFAOYSA-N 0 3 401.485 0.549 20 0 HCADHN Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604351653 1073788585 /nfs/dbraw/zinc/78/85/85/1073788585.db2.gz YBJYSQJQIXXTSD-GOSISDBHSA-N 0 3 410.522 0.921 20 0 HCADHN Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604351653 1073788579 /nfs/dbraw/zinc/78/85/79/1073788579.db2.gz YBJYSQJQIXXTSD-GOSISDBHSA-N 0 3 410.522 0.921 20 0 HCADHN Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604351654 1073788475 /nfs/dbraw/zinc/78/84/75/1073788475.db2.gz YBJYSQJQIXXTSD-SFHVURJKSA-N 0 3 410.522 0.921 20 0 HCADHN Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604351654 1073788471 /nfs/dbraw/zinc/78/84/71/1073788471.db2.gz YBJYSQJQIXXTSD-SFHVURJKSA-N 0 3 410.522 0.921 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604352105 1073787366 /nfs/dbraw/zinc/78/73/66/1073787366.db2.gz OPPBVMQSQURJMM-GOEBONIOSA-N 0 3 413.544 0.197 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604352105 1073787358 /nfs/dbraw/zinc/78/73/58/1073787358.db2.gz OPPBVMQSQURJMM-GOEBONIOSA-N 0 3 413.544 0.197 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604352106 1073787532 /nfs/dbraw/zinc/78/75/32/1073787532.db2.gz OPPBVMQSQURJMM-HOCLYGCPSA-N 0 3 413.544 0.197 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604352106 1073787519 /nfs/dbraw/zinc/78/75/19/1073787519.db2.gz OPPBVMQSQURJMM-HOCLYGCPSA-N 0 3 413.544 0.197 20 0 HCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000604352432 1073789244 /nfs/dbraw/zinc/78/92/44/1073789244.db2.gz BXDLNSQJDQVKHN-CYBMUJFWSA-N 0 3 420.988 0.918 20 0 HCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000604352432 1073789233 /nfs/dbraw/zinc/78/92/33/1073789233.db2.gz BXDLNSQJDQVKHN-CYBMUJFWSA-N 0 3 420.988 0.918 20 0 HCADHN O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604370919 1073773163 /nfs/dbraw/zinc/77/31/63/1073773163.db2.gz BGZJZTAOLVBWEI-JOCHJYFZSA-N 0 3 415.582 0.327 20 0 HCADHN O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604370930 1073773476 /nfs/dbraw/zinc/77/34/76/1073773476.db2.gz BGZJZTAOLVBWEI-QFIPXVFZSA-N 0 3 415.582 0.327 20 0 HCADHN CN1CCN([C@@H](C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375594 1073800325 /nfs/dbraw/zinc/80/03/25/1073800325.db2.gz AYLQGVKNYHEIBO-FCHUYYIVSA-N 0 3 415.582 0.498 20 0 HCADHN CN1CCN([C@@H](C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375595 1073800212 /nfs/dbraw/zinc/80/02/12/1073800212.db2.gz AYLQGVKNYHEIBO-FGZHOGPDSA-N 0 3 415.582 0.498 20 0 HCADHN CN1CCN([C@H](C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375596 1073800265 /nfs/dbraw/zinc/80/02/65/1073800265.db2.gz AYLQGVKNYHEIBO-VXKWHMMOSA-N 0 3 415.582 0.498 20 0 HCADHN CN1CCN([C@H](C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375597 1073800392 /nfs/dbraw/zinc/80/03/92/1073800392.db2.gz AYLQGVKNYHEIBO-YADHBBJMSA-N 0 3 415.582 0.498 20 0 HCADHN CC(C)Cn1c(N)c(C(=O)CN2CCN([C@H]3CCCN(C)C3)CC2)c(=O)[nH]c1=O ZINC000604390410 1073804273 /nfs/dbraw/zinc/80/42/73/1073804273.db2.gz WONSPIJXXZMWMN-HNNXBMFYSA-N 0 3 406.531 0.082 20 0 HCADHN CC(C)Cn1c(N)c(C(=O)CN2CCN([C@@H]3CCCN(C)C3)CC2)c(=O)[nH]c1=O ZINC000604390411 1073804376 /nfs/dbraw/zinc/80/43/76/1073804376.db2.gz WONSPIJXXZMWMN-OAHLLOKOSA-N 0 3 406.531 0.082 20 0 HCADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000604393359 1073804304 /nfs/dbraw/zinc/80/43/04/1073804304.db2.gz SIZFFXUHDHLKMN-FQEVSTJZSA-N 0 3 416.566 0.979 20 0 HCADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000604393361 1073804801 /nfs/dbraw/zinc/80/48/01/1073804801.db2.gz SIZFFXUHDHLKMN-HXUWFJFHSA-N 0 3 416.566 0.979 20 0 HCADHN CC(=O)N1CCc2ccc(S(=O)(=O)NCCCN3CCC[C@H](C(N)=O)C3)cc21 ZINC000604401681 1073792834 /nfs/dbraw/zinc/79/28/34/1073792834.db2.gz HRUMGZNILVHKJI-INIZCTEOSA-N 0 3 408.524 0.461 20 0 HCADHN CC(=O)N1CCc2ccc(S(=O)(=O)NCCCN3CCC[C@@H](C(N)=O)C3)cc21 ZINC000604401682 1073792757 /nfs/dbraw/zinc/79/27/57/1073792757.db2.gz HRUMGZNILVHKJI-MRXNPFEDSA-N 0 3 408.524 0.461 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)CC1 ZINC000604401793 1073792560 /nfs/dbraw/zinc/79/25/60/1073792560.db2.gz QGTCKPXKLKZPON-UHFFFAOYSA-N 0 3 422.551 0.770 20 0 HCADHN COc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1C(=O)N(C)C ZINC000604401855 1073792795 /nfs/dbraw/zinc/79/27/95/1073792795.db2.gz VVGAYZIZQWRSRS-UHFFFAOYSA-N 0 3 400.545 0.511 20 0 HCADHN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc21 ZINC000604401906 1073792432 /nfs/dbraw/zinc/79/24/32/1073792432.db2.gz ZVBJSIYKRMQAQK-UHFFFAOYSA-N 0 3 420.535 0.524 20 0 HCADHN CCOCCCN1CC[C@H](NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)[C@@H](C)C1 ZINC000604411527 1073801088 /nfs/dbraw/zinc/80/10/88/1073801088.db2.gz ZLEWYGNRFQSQGV-HOCLYGCPSA-N 0 3 400.545 0.800 20 0 HCADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)no1 ZINC000604526774 1073815135 /nfs/dbraw/zinc/81/51/35/1073815135.db2.gz NRKPWGCSHYWAAK-DZGCQCFKSA-N 0 3 423.539 0.984 20 0 HCADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)no1 ZINC000604526775 1073815054 /nfs/dbraw/zinc/81/50/54/1073815054.db2.gz NRKPWGCSHYWAAK-HIFRSBDPSA-N 0 3 423.539 0.984 20 0 HCADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)no1 ZINC000604526776 1073815025 /nfs/dbraw/zinc/81/50/25/1073815025.db2.gz NRKPWGCSHYWAAK-UKRRQHHQSA-N 0 3 423.539 0.984 20 0 HCADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)no1 ZINC000604526777 1073815076 /nfs/dbraw/zinc/81/50/76/1073815076.db2.gz NRKPWGCSHYWAAK-ZFWWWQNUSA-N 0 3 423.539 0.984 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000604546111 1073817131 /nfs/dbraw/zinc/81/71/31/1073817131.db2.gz VHWZJLXDTZYJPB-UHFFFAOYSA-N 0 3 413.496 0.104 20 0 HCADHN CN1CCN(CCCCNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000604577812 1073818507 /nfs/dbraw/zinc/81/85/07/1073818507.db2.gz HTAXVVLZZYZSID-UHFFFAOYSA-N 0 3 401.508 0.300 20 0 HCADHN CC1CCC(N2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000604586653 1073819169 /nfs/dbraw/zinc/81/91/69/1073819169.db2.gz RLVPOWPQWFQAPO-UHFFFAOYSA-N 0 3 415.604 0.470 20 0 HCADHN C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnnn1-c1ccccc1 ZINC000604600664 1073818131 /nfs/dbraw/zinc/81/81/31/1073818131.db2.gz USRGQPVSKWUOST-INIZCTEOSA-N 0 3 412.498 0.673 20 0 HCADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnnn1-c1ccccc1 ZINC000604600665 1073818090 /nfs/dbraw/zinc/81/80/90/1073818090.db2.gz USRGQPVSKWUOST-MRXNPFEDSA-N 0 3 412.498 0.673 20 0 HCADHN Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c(O)c1 ZINC000604606360 1073820939 /nfs/dbraw/zinc/82/09/39/1073820939.db2.gz SIYGLIDSLMONIU-KRWDZBQOSA-N 0 3 404.511 0.343 20 0 HCADHN Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c(O)c1 ZINC000604606361 1073821138 /nfs/dbraw/zinc/82/11/38/1073821138.db2.gz SIYGLIDSLMONIU-QGZVFWFLSA-N 0 3 404.511 0.343 20 0 HCADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606378 1073821098 /nfs/dbraw/zinc/82/10/98/1073821098.db2.gz UDIFYZSMSSHTGX-IFMALSPDSA-N 0 3 416.566 0.707 20 0 HCADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606379 1073820972 /nfs/dbraw/zinc/82/09/72/1073820972.db2.gz UDIFYZSMSSHTGX-IRLDBZIGSA-N 0 3 416.566 0.707 20 0 HCADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606380 1073821069 /nfs/dbraw/zinc/82/10/69/1073821069.db2.gz UDIFYZSMSSHTGX-RBBKRZOGSA-N 0 3 416.566 0.707 20 0 HCADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606381 1073821169 /nfs/dbraw/zinc/82/11/69/1073821169.db2.gz UDIFYZSMSSHTGX-UNMCSNQZSA-N 0 3 416.566 0.707 20 0 HCADHN O=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604632088 1073822905 /nfs/dbraw/zinc/82/29/05/1073822905.db2.gz RTYZSCFMPOVCJA-FQEVSTJZSA-N 0 3 423.602 0.727 20 0 HCADHN O=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604632089 1073822992 /nfs/dbraw/zinc/82/29/92/1073822992.db2.gz RTYZSCFMPOVCJA-HXUWFJFHSA-N 0 3 423.602 0.727 20 0 HCADHN C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636393 1073823332 /nfs/dbraw/zinc/82/33/32/1073823332.db2.gz ZGRFYBDLSVPRNK-CEXWTWQISA-N 0 3 411.591 0.580 20 0 HCADHN C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636394 1073823311 /nfs/dbraw/zinc/82/33/11/1073823311.db2.gz ZGRFYBDLSVPRNK-GUDVDZBRSA-N 0 3 411.591 0.580 20 0 HCADHN C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636395 1073823497 /nfs/dbraw/zinc/82/34/97/1073823497.db2.gz ZGRFYBDLSVPRNK-OTWHNJEPSA-N 0 3 411.591 0.580 20 0 HCADHN C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636396 1073823411 /nfs/dbraw/zinc/82/34/11/1073823411.db2.gz ZGRFYBDLSVPRNK-QRVBRYPASA-N 0 3 411.591 0.580 20 0 HCADHN O=C(NCCN1CCc2ccccc2C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604638470 1073825086 /nfs/dbraw/zinc/82/50/86/1073825086.db2.gz LPOZZAKHTCKNQQ-NRFANRHFSA-N 0 3 401.555 0.750 20 0 HCADHN O=C(NCCN1CCc2ccccc2C1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604638471 1073824906 /nfs/dbraw/zinc/82/49/06/1073824906.db2.gz LPOZZAKHTCKNQQ-OAQYLSRUSA-N 0 3 401.555 0.750 20 0 HCADHN O=C(NCCN1CCc2sccc2C1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604644002 1073839360 /nfs/dbraw/zinc/83/93/60/1073839360.db2.gz NCEZVNFVYZTZGK-GOSISDBHSA-N 0 3 407.584 0.812 20 0 HCADHN O=C(NCCN1CCc2sccc2C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604644003 1073839456 /nfs/dbraw/zinc/83/94/56/1073839456.db2.gz NCEZVNFVYZTZGK-SFHVURJKSA-N 0 3 407.584 0.812 20 0 HCADHN C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000604649474 1073841727 /nfs/dbraw/zinc/84/17/27/1073841727.db2.gz HZSLFURNOOPFFS-DOTOQJQBSA-N 0 3 414.514 0.965 20 0 HCADHN C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000604649475 1073841564 /nfs/dbraw/zinc/84/15/64/1073841564.db2.gz HZSLFURNOOPFFS-NVXWUHKLSA-N 0 3 414.514 0.965 20 0 HCADHN C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000604649476 1073841624 /nfs/dbraw/zinc/84/16/24/1073841624.db2.gz HZSLFURNOOPFFS-RDJZCZTQSA-N 0 3 414.514 0.965 20 0 HCADHN C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000604649477 1073841795 /nfs/dbraw/zinc/84/17/95/1073841795.db2.gz HZSLFURNOOPFFS-WBVHZDCISA-N 0 3 414.514 0.965 20 0 HCADHN CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)c1 ZINC000604656179 1073828843 /nfs/dbraw/zinc/82/88/43/1073828843.db2.gz GEGOCOIXPLQPLC-INIZCTEOSA-N 0 3 420.535 0.794 20 0 HCADHN CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)c1 ZINC000604656180 1073828958 /nfs/dbraw/zinc/82/89/58/1073828958.db2.gz GEGOCOIXPLQPLC-MRXNPFEDSA-N 0 3 420.535 0.794 20 0 HCADHN C[C@H](NC(=O)NCCCCN1CCN(CCO)CC1)c1nnnn1-c1ccccc1 ZINC000604656398 1073828993 /nfs/dbraw/zinc/82/89/93/1073828993.db2.gz QLGGFDKFUHEXIS-KRWDZBQOSA-N 0 3 416.530 0.413 20 0 HCADHN C[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)c1nnnn1-c1ccccc1 ZINC000604656399 1073828810 /nfs/dbraw/zinc/82/88/10/1073828810.db2.gz QLGGFDKFUHEXIS-QGZVFWFLSA-N 0 3 416.530 0.413 20 0 HCADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCN(CCc2ccccc2)CC1 ZINC000604668975 1073835020 /nfs/dbraw/zinc/83/50/20/1073835020.db2.gz PRDPYHQUQGJVRL-JOCHJYFZSA-N 0 3 415.582 0.963 20 0 HCADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CCN(CCc2ccccc2)CC1 ZINC000604668976 1073834926 /nfs/dbraw/zinc/83/49/26/1073834926.db2.gz PRDPYHQUQGJVRL-QFIPXVFZSA-N 0 3 415.582 0.963 20 0 HCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604669009 1073835491 /nfs/dbraw/zinc/83/54/91/1073835491.db2.gz QTFCYEPASWRESJ-CGXNFDGLSA-N 0 3 423.602 0.676 20 0 HCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669010 1073835546 /nfs/dbraw/zinc/83/55/46/1073835546.db2.gz QTFCYEPASWRESJ-MHTWAQMVSA-N 0 3 423.602 0.676 20 0 HCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604669011 1073835700 /nfs/dbraw/zinc/83/57/00/1073835700.db2.gz QTFCYEPASWRESJ-NCYKPQTJSA-N 0 3 423.602 0.676 20 0 HCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669012 1073835575 /nfs/dbraw/zinc/83/55/75/1073835575.db2.gz QTFCYEPASWRESJ-WOZUAGRISA-N 0 3 423.602 0.676 20 0 HCADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000604669172 1073834964 /nfs/dbraw/zinc/83/49/64/1073834964.db2.gz VSMLREFQKASWNS-NRFANRHFSA-N 0 3 401.555 0.920 20 0 HCADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000604669173 1073835109 /nfs/dbraw/zinc/83/51/09/1073835109.db2.gz VSMLREFQKASWNS-OAQYLSRUSA-N 0 3 401.555 0.920 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000604671043 1073836174 /nfs/dbraw/zinc/83/61/74/1073836174.db2.gz QSOYPHONLGYSIW-INIZCTEOSA-N 0 3 414.514 0.919 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000604671044 1073836203 /nfs/dbraw/zinc/83/62/03/1073836203.db2.gz QSOYPHONLGYSIW-MRXNPFEDSA-N 0 3 414.514 0.919 20 0 HCADHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 ZINC000604677640 1073837487 /nfs/dbraw/zinc/83/74/87/1073837487.db2.gz QRWWTSKKMURXNK-UHFFFAOYSA-N 0 3 408.455 0.790 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCC3(C(N)=O)CCCC3)ccc2oc1=O ZINC000604688828 1073848951 /nfs/dbraw/zinc/84/89/51/1073848951.db2.gz MRZLGNOXWXLOLS-UHFFFAOYSA-N 0 3 417.466 0.257 20 0 HCADHN CC[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000604690648 1073849406 /nfs/dbraw/zinc/84/94/06/1073849406.db2.gz SGZFAEOKMYZYQY-GOSISDBHSA-N 0 3 402.495 0.960 20 0 HCADHN CC[C@H]1COCCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000604690649 1073849452 /nfs/dbraw/zinc/84/94/52/1073849452.db2.gz SGZFAEOKMYZYQY-SFHVURJKSA-N 0 3 402.495 0.960 20 0 HCADHN CCN1CCN(CCCNC(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)CC1 ZINC000604740210 1073851928 /nfs/dbraw/zinc/85/19/28/1073851928.db2.gz JSTPYBLDDCWACZ-UHFFFAOYSA-N 0 3 413.515 0.946 20 0 HCADHN CS(=O)(=O)N1CCN(CCNCc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000604763813 1073855739 /nfs/dbraw/zinc/85/57/39/1073855739.db2.gz HSLRAVXHHJXYKV-UHFFFAOYSA-N 0 3 424.567 0.258 20 0 HCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000604774039 1073853709 /nfs/dbraw/zinc/85/37/09/1073853709.db2.gz BZABOHMMNNCKTE-AWEZNQCLSA-N 0 3 424.475 0.813 20 0 HCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000604774040 1073854173 /nfs/dbraw/zinc/85/41/73/1073854173.db2.gz BZABOHMMNNCKTE-CQSZACIVSA-N 0 3 424.475 0.813 20 0 HCADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000604820716 1073857398 /nfs/dbraw/zinc/85/73/98/1073857398.db2.gz WSDAVUKTIKJQAD-MOPGFXCFSA-N 0 3 411.591 0.759 20 0 HCADHN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000604820717 1073857500 /nfs/dbraw/zinc/85/75/00/1073857500.db2.gz WSDAVUKTIKJQAD-OALUTQOASA-N 0 3 411.591 0.759 20 0 HCADHN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000604820718 1073857361 /nfs/dbraw/zinc/85/73/61/1073857361.db2.gz WSDAVUKTIKJQAD-RBUKOAKNSA-N 0 3 411.591 0.759 20 0 HCADHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000604820719 1073857459 /nfs/dbraw/zinc/85/74/59/1073857459.db2.gz WSDAVUKTIKJQAD-RTBURBONSA-N 0 3 411.591 0.759 20 0 HCADHN CN1CCN(C(=O)CCNC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000604866353 1073861205 /nfs/dbraw/zinc/86/12/05/1073861205.db2.gz MZSXJDDFKUXULX-UHFFFAOYSA-N 0 3 401.555 0.869 20 0 HCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000604871510 1073863810 /nfs/dbraw/zinc/86/38/10/1073863810.db2.gz DFERTRIXXJTNIH-BBRMVZONSA-N 0 3 412.512 0.101 20 0 HCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000604871514 1073863762 /nfs/dbraw/zinc/86/37/62/1073863762.db2.gz DFERTRIXXJTNIH-XJKSGUPXSA-N 0 3 412.512 0.101 20 0 HCADHN CN(C)C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CCO1 ZINC000604872434 1073864257 /nfs/dbraw/zinc/86/42/57/1073864257.db2.gz CHPNUEOXQBQSHP-DZGCQCFKSA-N 0 3 410.421 0.959 20 0 HCADHN CN(C)C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CCO1 ZINC000604872435 1073864354 /nfs/dbraw/zinc/86/43/54/1073864354.db2.gz CHPNUEOXQBQSHP-HIFRSBDPSA-N 0 3 410.421 0.959 20 0 HCADHN CN(C)C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CCO1 ZINC000604872436 1073864363 /nfs/dbraw/zinc/86/43/63/1073864363.db2.gz CHPNUEOXQBQSHP-UKRRQHHQSA-N 0 3 410.421 0.959 20 0 HCADHN CN(C)C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CCO1 ZINC000604872437 1073864329 /nfs/dbraw/zinc/86/43/29/1073864329.db2.gz CHPNUEOXQBQSHP-ZFWWWQNUSA-N 0 3 410.421 0.959 20 0 HCADHN CN(C)C[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCO1 ZINC000604872518 1073864282 /nfs/dbraw/zinc/86/42/82/1073864282.db2.gz AMPVECIGKWETGU-AWEZNQCLSA-N 0 3 403.526 0.172 20 0 HCADHN CN(C)C[C@@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCO1 ZINC000604872519 1073864334 /nfs/dbraw/zinc/86/43/34/1073864334.db2.gz AMPVECIGKWETGU-CQSZACIVSA-N 0 3 403.526 0.172 20 0 HCADHN COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](CN(C)C)C2)C(C)C)cc1 ZINC000604873149 1073864384 /nfs/dbraw/zinc/86/43/84/1073864384.db2.gz PRWYAXVINTYKJW-AEFFLSMTSA-N 0 3 413.540 0.787 20 0 HCADHN COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@H](CN(C)C)C2)C(C)C)cc1 ZINC000604873150 1073864377 /nfs/dbraw/zinc/86/43/77/1073864377.db2.gz PRWYAXVINTYKJW-WMZOPIPTSA-N 0 3 413.540 0.787 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000604873819 1073864269 /nfs/dbraw/zinc/86/42/69/1073864269.db2.gz NMIBJGNYEQDFKY-PBHICJAKSA-N 0 3 401.504 0.918 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000604873820 1073864343 /nfs/dbraw/zinc/86/43/43/1073864343.db2.gz NMIBJGNYEQDFKY-YOEHRIQHSA-N 0 3 401.504 0.918 20 0 HCADHN Cc1c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000604879282 1073867811 /nfs/dbraw/zinc/86/78/11/1073867811.db2.gz MVZFPIHBRQPIAP-HNNXBMFYSA-N 0 3 418.523 0.327 20 0 HCADHN Cc1c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000604879283 1073867766 /nfs/dbraw/zinc/86/77/66/1073867766.db2.gz MVZFPIHBRQPIAP-OAHLLOKOSA-N 0 3 418.523 0.327 20 0 HCADHN CN1CCN(S(=O)(=O)c2ccccc2CNC[C@H]2CNc3ccnn3C2)CC1 ZINC000604890940 1073870389 /nfs/dbraw/zinc/87/03/89/1073870389.db2.gz VSVKSQWMYCESTP-INIZCTEOSA-N 0 3 404.540 0.651 20 0 HCADHN CN1CCN(S(=O)(=O)c2ccccc2CNC[C@@H]2CNc3ccnn3C2)CC1 ZINC000604890941 1073870452 /nfs/dbraw/zinc/87/04/52/1073870452.db2.gz VSVKSQWMYCESTP-MRXNPFEDSA-N 0 3 404.540 0.651 20 0 HCADHN CS(=O)(=O)N[C@H]1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000604894352 1073861716 /nfs/dbraw/zinc/86/17/16/1073861716.db2.gz HPVQVIZLMFGGKW-IBGZPJMESA-N 0 3 423.583 0.527 20 0 HCADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000604894353 1073861581 /nfs/dbraw/zinc/86/15/81/1073861581.db2.gz HPVQVIZLMFGGKW-LJQANCHMSA-N 0 3 423.583 0.527 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604896793 1073862201 /nfs/dbraw/zinc/86/22/01/1073862201.db2.gz XWQWJYSHVQNXTJ-IBGZPJMESA-N 0 3 423.583 0.657 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604896794 1073862109 /nfs/dbraw/zinc/86/21/09/1073862109.db2.gz XWQWJYSHVQNXTJ-LJQANCHMSA-N 0 3 423.583 0.657 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000604896824 1073862170 /nfs/dbraw/zinc/86/21/70/1073862170.db2.gz YZHJYFGXOHLGPW-IBGZPJMESA-N 0 3 423.583 0.657 20 0 HCADHN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCCN2CCCCC2)CC1 ZINC000604911554 1073875126 /nfs/dbraw/zinc/87/51/26/1073875126.db2.gz YTALHPGTGOFOJD-UHFFFAOYSA-N 0 3 423.583 0.908 20 0 HCADHN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000604915529 1073870748 /nfs/dbraw/zinc/87/07/48/1073870748.db2.gz HSYSZKLPGRXHEM-KRWDZBQOSA-N 0 3 409.556 0.516 20 0 HCADHN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000604915530 1073870762 /nfs/dbraw/zinc/87/07/62/1073870762.db2.gz HSYSZKLPGRXHEM-QGZVFWFLSA-N 0 3 409.556 0.516 20 0 HCADHN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCCN(C)CC2)CC1 ZINC000604920975 1073871358 /nfs/dbraw/zinc/87/13/58/1073871358.db2.gz SJQBUFZYYVRJAO-UHFFFAOYSA-N 0 3 409.556 0.470 20 0 HCADHN CC1(C)CN(CC(=O)N2CCN(C(=O)CN3CCCOC(C)(C)C3)CC2)CCCO1 ZINC000604999741 1073878061 /nfs/dbraw/zinc/87/80/61/1073878061.db2.gz LYDGKSJBXJYKCR-UHFFFAOYSA-N 0 3 424.586 0.659 20 0 HCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063286 1073880017 /nfs/dbraw/zinc/88/00/17/1073880017.db2.gz YOUJOLGEABYNPD-LJQANCHMSA-N 0 3 422.485 0.446 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605066174 1073880818 /nfs/dbraw/zinc/88/08/18/1073880818.db2.gz XEWFJGJPEXCALJ-UHFFFAOYSA-N 0 3 402.495 0.917 20 0 HCADHN Cc1c(C(=O)Nc2ccn(CCC(N)=O)n2)nnn1-c1cccc2c1CCN(C)C2 ZINC000605100224 1073881805 /nfs/dbraw/zinc/88/18/05/1073881805.db2.gz SCMVUCKUJUKVOJ-UHFFFAOYSA-N 0 3 408.466 0.888 20 0 HCADHN CC(=O)NC[C@H]1CN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CCO1 ZINC000605131159 1073886338 /nfs/dbraw/zinc/88/63/38/1073886338.db2.gz GRTHTKQBEOKZGJ-KRWDZBQOSA-N 0 3 412.494 0.541 20 0 HCADHN CC(=O)NC[C@@H]1CN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CCO1 ZINC000605131160 1073886426 /nfs/dbraw/zinc/88/64/26/1073886426.db2.gz GRTHTKQBEOKZGJ-QGZVFWFLSA-N 0 3 412.494 0.541 20 0 HCADHN CC(=O)NC[C@H]1CN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)CCO1 ZINC000605152768 1073899932 /nfs/dbraw/zinc/89/99/32/1073899932.db2.gz VGVPGMFOFSLWGB-NRFANRHFSA-N 0 3 402.539 0.866 20 0 HCADHN CC(=O)NC[C@@H]1CN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)CCO1 ZINC000605152769 1073899851 /nfs/dbraw/zinc/89/98/51/1073899851.db2.gz VGVPGMFOFSLWGB-OAQYLSRUSA-N 0 3 402.539 0.866 20 0 HCADHN COCCN(C)CCNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605174396 1073896545 /nfs/dbraw/zinc/89/65/45/1073896545.db2.gz ZXCXQDYASRUESW-UHFFFAOYSA-N 0 3 412.556 0.858 20 0 HCADHN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000605176685 1073897514 /nfs/dbraw/zinc/89/75/14/1073897514.db2.gz PAUHTQMQCPUOPG-MOPGFXCFSA-N 0 3 403.575 0.527 20 0 HCADHN C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000605176686 1073897577 /nfs/dbraw/zinc/89/75/77/1073897577.db2.gz PAUHTQMQCPUOPG-OALUTQOASA-N 0 3 403.575 0.527 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000605176687 1073897646 /nfs/dbraw/zinc/89/76/46/1073897646.db2.gz PAUHTQMQCPUOPG-RBUKOAKNSA-N 0 3 403.575 0.527 20 0 HCADHN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000605176688 1073897527 /nfs/dbraw/zinc/89/75/27/1073897527.db2.gz PAUHTQMQCPUOPG-RTBURBONSA-N 0 3 403.575 0.527 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000605176726 1073897054 /nfs/dbraw/zinc/89/70/54/1073897054.db2.gz QGIZLEULCKJHMC-MSOLQXFVSA-N 0 3 417.558 0.231 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000605176727 1073897120 /nfs/dbraw/zinc/89/71/20/1073897120.db2.gz QGIZLEULCKJHMC-QZTJIDSGSA-N 0 3 417.558 0.231 20 0 HCADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000605176728 1073897012 /nfs/dbraw/zinc/89/70/12/1073897012.db2.gz QGIZLEULCKJHMC-ROUUACIJSA-N 0 3 417.558 0.231 20 0 HCADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000605176729 1073897105 /nfs/dbraw/zinc/89/71/05/1073897105.db2.gz QGIZLEULCKJHMC-ZWKOTPCHSA-N 0 3 417.558 0.231 20 0 HCADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000605217494 1073906170 /nfs/dbraw/zinc/90/61/70/1073906170.db2.gz WBWMNSRNCFLYRR-IBGZPJMESA-N 0 3 417.602 0.917 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000605217495 1073906300 /nfs/dbraw/zinc/90/63/00/1073906300.db2.gz WBWMNSRNCFLYRR-LJQANCHMSA-N 0 3 417.602 0.917 20 0 HCADHN CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC000605218122 1073905595 /nfs/dbraw/zinc/90/55/95/1073905595.db2.gz GJGTXMHECBBWGB-FQEVSTJZSA-N 0 3 403.527 0.481 20 0 HCADHN CC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC000605218123 1073905434 /nfs/dbraw/zinc/90/54/34/1073905434.db2.gz GJGTXMHECBBWGB-HXUWFJFHSA-N 0 3 403.527 0.481 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000605218690 1073906246 /nfs/dbraw/zinc/90/62/46/1073906246.db2.gz KZXWGRBDUCADQK-NRFANRHFSA-N 0 3 417.554 0.871 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC000605218967 1073906090 /nfs/dbraw/zinc/90/60/90/1073906090.db2.gz XQMCMFBSQBRZLT-NRFANRHFSA-N 0 3 417.554 0.871 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC000605218968 1073906282 /nfs/dbraw/zinc/90/62/82/1073906282.db2.gz XQMCMFBSQBRZLT-OAQYLSRUSA-N 0 3 417.554 0.871 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)NCc1cccc(-n2cncn2)c1 ZINC000605229666 1073937281 /nfs/dbraw/zinc/93/72/81/1073937281.db2.gz LGDQJOHRLHJPSZ-UHFFFAOYSA-N 0 3 401.515 0.457 20 0 HCADHN CC1CCN([C@@H](CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c2ccccc2)CC1 ZINC000605238748 1073911614 /nfs/dbraw/zinc/91/16/14/1073911614.db2.gz RRPRBAYUTNJGGP-SFHVURJKSA-N 0 3 412.494 0.896 20 0 HCADHN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)C[C@H](C)O1 ZINC000605239408 1073912678 /nfs/dbraw/zinc/91/26/78/1073912678.db2.gz SZJFFECBWYGZKR-KBPBESRZSA-N 0 3 412.512 0.101 20 0 HCADHN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)C[C@H](C)O1 ZINC000605239409 1073912496 /nfs/dbraw/zinc/91/24/96/1073912496.db2.gz SZJFFECBWYGZKR-OKILXGFUSA-N 0 3 412.512 0.101 20 0 HCADHN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)C[C@@H](C)O1 ZINC000605239410 1073912541 /nfs/dbraw/zinc/91/25/41/1073912541.db2.gz SZJFFECBWYGZKR-ZIAGYGMSSA-N 0 3 412.512 0.101 20 0 HCADHN CN(C)CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000605239416 1073912689 /nfs/dbraw/zinc/91/26/89/1073912689.db2.gz VDTHAHKXWXAOAV-UHFFFAOYSA-N 0 3 408.524 0.428 20 0 HCADHN COc1ccc(NC(=O)C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000605239421 1073912621 /nfs/dbraw/zinc/91/26/21/1073912621.db2.gz WRVPIKLJAZWIJM-UHFFFAOYSA-N 0 3 412.512 0.486 20 0 HCADHN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NCCN(C)C ZINC000605239452 1073912469 /nfs/dbraw/zinc/91/24/69/1073912469.db2.gz GGIACBPBSHNHAM-UHFFFAOYSA-N 0 3 414.528 0.732 20 0 HCADHN CN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000605239468 1073912780 /nfs/dbraw/zinc/91/27/80/1073912780.db2.gz JARKTJVICDNPCB-UHFFFAOYSA-N 0 3 402.904 0.741 20 0 HCADHN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)C1 ZINC000605239469 1073912553 /nfs/dbraw/zinc/91/25/53/1073912553.db2.gz JDEKCSZTDGFQED-GASCZTMLSA-N 0 3 410.540 0.970 20 0 HCADHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)C1 ZINC000605239471 1073913642 /nfs/dbraw/zinc/91/36/42/1073913642.db2.gz JDEKCSZTDGFQED-HUUCEWRRSA-N 0 3 410.540 0.970 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCCN(C)C ZINC000605239501 1073912710 /nfs/dbraw/zinc/91/27/10/1073912710.db2.gz QMDVRJJNKFJQFI-UHFFFAOYSA-N 0 3 412.512 0.486 20 0 HCADHN CCOc1ccc(NC(=O)C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000605239532 1073912565 /nfs/dbraw/zinc/91/25/65/1073912565.db2.gz XWTATPXSEMNDKA-UHFFFAOYSA-N 0 3 412.512 0.486 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000605239895 1073912640 /nfs/dbraw/zinc/91/26/40/1073912640.db2.gz CVHKIOVOODDIGH-HNNXBMFYSA-N 0 3 421.523 0.696 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000605239896 1073912516 /nfs/dbraw/zinc/91/25/16/1073912516.db2.gz CVHKIOVOODDIGH-OAHLLOKOSA-N 0 3 421.523 0.696 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000605239914 1073912740 /nfs/dbraw/zinc/91/27/40/1073912740.db2.gz FMRVQBJRYCIRPT-AWEZNQCLSA-N 0 3 412.487 0.905 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000605239915 1073912597 /nfs/dbraw/zinc/91/25/97/1073912597.db2.gz FMRVQBJRYCIRPT-CQSZACIVSA-N 0 3 412.487 0.905 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000605240018 1073911945 /nfs/dbraw/zinc/91/19/45/1073911945.db2.gz OWJYXTVXTHCFQR-GOSISDBHSA-N 0 3 402.495 0.627 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000605240019 1073911653 /nfs/dbraw/zinc/91/16/53/1073911653.db2.gz OWJYXTVXTHCFQR-SFHVURJKSA-N 0 3 402.495 0.627 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605240026 1073911699 /nfs/dbraw/zinc/91/16/99/1073911699.db2.gz PDPFCMFJXLJHJQ-KRWDZBQOSA-N 0 3 408.524 0.460 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605240027 1073911793 /nfs/dbraw/zinc/91/17/93/1073911793.db2.gz PDPFCMFJXLJHJQ-QGZVFWFLSA-N 0 3 408.524 0.460 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605240143 1073911876 /nfs/dbraw/zinc/91/18/76/1073911876.db2.gz ZSJVRQXCQVABTL-INIZCTEOSA-N 0 3 424.523 0.247 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605240144 1073911829 /nfs/dbraw/zinc/91/18/29/1073911829.db2.gz ZSJVRQXCQVABTL-MRXNPFEDSA-N 0 3 424.523 0.247 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000605240239 1073913542 /nfs/dbraw/zinc/91/35/42/1073913542.db2.gz IGGKTQFMMPIRDF-INIZCTEOSA-N 0 3 401.511 0.927 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000605240240 1073913625 /nfs/dbraw/zinc/91/36/25/1073913625.db2.gz IGGKTQFMMPIRDF-MRXNPFEDSA-N 0 3 401.511 0.927 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000605240251 1073913345 /nfs/dbraw/zinc/91/33/45/1073913345.db2.gz JDEWHLNNLBVPAR-CYBMUJFWSA-N 0 3 412.512 0.485 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000605240252 1073913422 /nfs/dbraw/zinc/91/34/22/1073913422.db2.gz JDEWHLNNLBVPAR-ZDUSSCGKSA-N 0 3 412.512 0.485 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC000605240269 1073913297 /nfs/dbraw/zinc/91/32/97/1073913297.db2.gz KPPLMIRMHNGALC-AWEZNQCLSA-N 0 3 424.523 0.675 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC000605240270 1073913261 /nfs/dbraw/zinc/91/32/61/1073913261.db2.gz KPPLMIRMHNGALC-CQSZACIVSA-N 0 3 424.523 0.675 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000605240343 1073913570 /nfs/dbraw/zinc/91/35/70/1073913570.db2.gz PXXKNCFFDXWNLQ-AWEZNQCLSA-N 0 3 412.487 0.905 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000605240344 1073913512 /nfs/dbraw/zinc/91/35/12/1073913512.db2.gz PXXKNCFFDXWNLQ-CQSZACIVSA-N 0 3 412.487 0.905 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC ZINC000605240381 1073914287 /nfs/dbraw/zinc/91/42/87/1073914287.db2.gz SGEAUNHBEUGCII-INIZCTEOSA-N 0 3 418.494 0.707 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC ZINC000605240382 1073914452 /nfs/dbraw/zinc/91/44/52/1073914452.db2.gz SGEAUNHBEUGCII-MRXNPFEDSA-N 0 3 418.494 0.707 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000605240398 1073914260 /nfs/dbraw/zinc/91/42/60/1073914260.db2.gz UDBSFMXMOHEQTK-MRXNPFEDSA-N 0 3 401.511 0.613 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000605240413 1073914336 /nfs/dbraw/zinc/91/43/36/1073914336.db2.gz WIBJWOABXDXQEW-GOSISDBHSA-N 0 3 401.511 0.613 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000605240414 1073914158 /nfs/dbraw/zinc/91/41/58/1073914158.db2.gz WIBJWOABXDXQEW-SFHVURJKSA-N 0 3 401.511 0.613 20 0 HCADHN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCN1CCCC1 ZINC000605240597 1073914393 /nfs/dbraw/zinc/91/43/93/1073914393.db2.gz PXRDTKCFYCVMPG-UHFFFAOYSA-N 0 3 417.510 0.233 20 0 HCADHN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCN3CCCC3)cc2)CC1 ZINC000605240633 1073914613 /nfs/dbraw/zinc/91/46/13/1073914613.db2.gz TWLQYIQSOHIHSQ-UHFFFAOYSA-N 0 3 401.511 0.615 20 0 HCADHN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCN3CCCC3)cc2)CC1 ZINC000605240666 1073913175 /nfs/dbraw/zinc/91/31/75/1073913175.db2.gz XXDYICOOZWOXIM-UHFFFAOYSA-N 0 3 401.511 0.154 20 0 HCADHN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCN(C)C3CC3)cc2)CC1 ZINC000605243543 1073918733 /nfs/dbraw/zinc/91/87/33/1073918733.db2.gz WIKAZDLEZCJWLN-UHFFFAOYSA-N 0 3 401.511 0.613 20 0 HCADHN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000605243572 1073918573 /nfs/dbraw/zinc/91/85/73/1073918573.db2.gz BEOPPPQGAYOWBY-UHFFFAOYSA-N 0 3 417.510 0.232 20 0 HCADHN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000605243594 1073919242 /nfs/dbraw/zinc/91/92/42/1073919242.db2.gz FIVQSMMHVGEMAZ-CYBMUJFWSA-N 0 3 412.512 0.149 20 0 HCADHN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000605243595 1073918699 /nfs/dbraw/zinc/91/86/99/1073918699.db2.gz FIVQSMMHVGEMAZ-ZDUSSCGKSA-N 0 3 412.512 0.149 20 0 HCADHN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000605243618 1073918665 /nfs/dbraw/zinc/91/86/65/1073918665.db2.gz JIZYYDJXIPBWSY-UHFFFAOYSA-N 0 3 410.496 0.285 20 0 HCADHN CN(CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)C1CC1 ZINC000605243621 1073918999 /nfs/dbraw/zinc/91/89/99/1073918999.db2.gz JXRLTSHMMKEJOB-UHFFFAOYSA-N 0 3 404.536 0.953 20 0 HCADHN CN(CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)C1CC1 ZINC000605243659 1073918795 /nfs/dbraw/zinc/91/87/95/1073918795.db2.gz OYVDUSJTZCHCKF-UHFFFAOYSA-N 0 3 408.886 0.961 20 0 HCADHN CN(CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)C1CC1 ZINC000605243688 1073918864 /nfs/dbraw/zinc/91/88/64/1073918864.db2.gz SXXDHVBJIVSSCH-UHFFFAOYSA-N 0 3 401.511 0.152 20 0 HCADHN CN(CCNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CC1 ZINC000605243696 1073918680 /nfs/dbraw/zinc/91/86/80/1073918680.db2.gz VPYQZEXBQIBYFH-UHFFFAOYSA-N 0 3 408.462 0.693 20 0 HCADHN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCN(C)C1CC1 ZINC000605243717 1073919108 /nfs/dbraw/zinc/91/91/08/1073919108.db2.gz YYAUIDCTHKKMRA-UHFFFAOYSA-N 0 3 422.551 0.817 20 0 HCADHN CN(CCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)C1CC1 ZINC000605243718 1073918649 /nfs/dbraw/zinc/91/86/49/1073918649.db2.gz ZDHFQADFXPAUBS-UHFFFAOYSA-N 0 3 414.510 0.289 20 0 HCADHN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000605243766 1073917806 /nfs/dbraw/zinc/91/78/06/1073917806.db2.gz KKMZLHNRRZTLEB-UHFFFAOYSA-N 0 3 404.467 0.317 20 0 HCADHN CCN(C)CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000605243836 1073917644 /nfs/dbraw/zinc/91/76/44/1073917644.db2.gz ZYWHWZQDGGJRGF-GOSISDBHSA-N 0 3 402.495 0.861 20 0 HCADHN CCN(C)CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000605243837 1073917887 /nfs/dbraw/zinc/91/78/87/1073917887.db2.gz ZYWHWZQDGGJRGF-SFHVURJKSA-N 0 3 402.495 0.861 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000605243839 1073918075 /nfs/dbraw/zinc/91/80/75/1073918075.db2.gz AEINVBYBVXLORL-UHFFFAOYSA-N 0 3 412.512 0.022 20 0 HCADHN CCN(C)CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000605243848 1073917827 /nfs/dbraw/zinc/91/78/27/1073917827.db2.gz CPURFOKCEAXQGV-UHFFFAOYSA-N 0 3 422.551 0.818 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 ZINC000605243864 1073918918 /nfs/dbraw/zinc/91/89/18/1073918918.db2.gz GUVCYGWKCRCLIS-CYBMUJFWSA-N 0 3 400.501 0.006 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 ZINC000605243865 1073919033 /nfs/dbraw/zinc/91/90/33/1073919033.db2.gz GUVCYGWKCRCLIS-ZDUSSCGKSA-N 0 3 400.501 0.006 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000605243919 1073917781 /nfs/dbraw/zinc/91/77/81/1073917781.db2.gz VAPBFUPFJXTXIH-UHFFFAOYSA-N 0 3 402.499 0.147 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000605243927 1073918003 /nfs/dbraw/zinc/91/80/03/1073918003.db2.gz WRSNHUKBGZVXEB-UHFFFAOYSA-N 0 3 419.526 0.366 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC ZINC000605244181 1073917942 /nfs/dbraw/zinc/91/79/42/1073917942.db2.gz PZQCQJIOZFVQDX-UHFFFAOYSA-N 0 3 414.528 0.732 20 0 HCADHN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCN(C)CCOC)cc2)CC1 ZINC000605246186 1073920019 /nfs/dbraw/zinc/92/00/19/1073920019.db2.gz BLOSDYPNNUYDMT-UHFFFAOYSA-N 0 3 419.526 0.097 20 0 HCADHN COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000605248335 1073925695 /nfs/dbraw/zinc/92/56/95/1073925695.db2.gz IBCAFTLVKHXDMA-FQEVSTJZSA-N 0 3 418.538 0.727 20 0 HCADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000605248336 1073925529 /nfs/dbraw/zinc/92/55/29/1073925529.db2.gz IBCAFTLVKHXDMA-HXUWFJFHSA-N 0 3 418.538 0.727 20 0 HCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605249087 1073923805 /nfs/dbraw/zinc/92/38/05/1073923805.db2.gz WUYZUHDYDARXTN-GOSISDBHSA-N 0 3 422.551 0.851 20 0 HCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605249088 1073923494 /nfs/dbraw/zinc/92/34/94/1073923494.db2.gz WUYZUHDYDARXTN-SFHVURJKSA-N 0 3 422.551 0.851 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000605252780 1073932446 /nfs/dbraw/zinc/93/24/46/1073932446.db2.gz CUQMYFHNZWJBBA-HNNXBMFYSA-N 0 3 414.466 0.351 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000605252781 1073932530 /nfs/dbraw/zinc/93/25/30/1073932530.db2.gz CUQMYFHNZWJBBA-OAHLLOKOSA-N 0 3 414.466 0.351 20 0 HCADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCCN3CCN(C)CC3)ccc21 ZINC000605293481 1073942645 /nfs/dbraw/zinc/94/26/45/1073942645.db2.gz TXMRMRHHQKQAOU-UHFFFAOYSA-N 0 3 401.511 0.079 20 0 HCADHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000605296553 1073944142 /nfs/dbraw/zinc/94/41/42/1073944142.db2.gz KJBMLJKRUQTYQD-UHFFFAOYSA-N 0 3 415.538 0.469 20 0 HCADHN COCCN1CCC(NC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000605300110 1073944860 /nfs/dbraw/zinc/94/48/60/1073944860.db2.gz GTVNIGJMBYMHQM-UHFFFAOYSA-N 0 3 402.495 0.552 20 0 HCADHN CC(=O)NCCNC(=O)CCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000605301522 1073945555 /nfs/dbraw/zinc/94/55/55/1073945555.db2.gz HIGADHGQCCHHFR-UHFFFAOYSA-N 0 3 403.527 0.579 20 0 HCADHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000605302305 1073945601 /nfs/dbraw/zinc/94/56/01/1073945601.db2.gz NDCKOQIPUKKNDD-OALUTQOASA-N 0 3 413.526 0.824 20 0 HCADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000605302306 1073945502 /nfs/dbraw/zinc/94/55/02/1073945502.db2.gz NDCKOQIPUKKNDD-RBUKOAKNSA-N 0 3 413.526 0.824 20 0 HCADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000605302307 1073945728 /nfs/dbraw/zinc/94/57/28/1073945728.db2.gz NDCKOQIPUKKNDD-RTBURBONSA-N 0 3 413.526 0.824 20 0 HCADHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000605302656 1073945657 /nfs/dbraw/zinc/94/56/57/1073945657.db2.gz OGVICEYAZCPXAM-MOPGFXCFSA-N 0 3 411.510 0.706 20 0 HCADHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000605302657 1073945799 /nfs/dbraw/zinc/94/57/99/1073945799.db2.gz OGVICEYAZCPXAM-OALUTQOASA-N 0 3 411.510 0.706 20 0 HCADHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000605303535 1073946514 /nfs/dbraw/zinc/94/65/14/1073946514.db2.gz FGYPAHGGURRAHN-IBGZPJMESA-N 0 3 411.510 0.532 20 0 HCADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000605303536 1073946610 /nfs/dbraw/zinc/94/66/10/1073946610.db2.gz FGYPAHGGURRAHN-LJQANCHMSA-N 0 3 411.510 0.532 20 0 HCADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)ccc21 ZINC000605303791 1073946349 /nfs/dbraw/zinc/94/63/49/1073946349.db2.gz BKVBZNDMCRYLJP-IBGZPJMESA-N 0 3 416.522 0.895 20 0 HCADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)ccc21 ZINC000605303792 1073946474 /nfs/dbraw/zinc/94/64/74/1073946474.db2.gz BKVBZNDMCRYLJP-LJQANCHMSA-N 0 3 416.522 0.895 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000605306739 1073947478 /nfs/dbraw/zinc/94/74/78/1073947478.db2.gz YJADWJSITBAWOG-INIZCTEOSA-N 0 3 415.538 0.468 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000605306740 1073947951 /nfs/dbraw/zinc/94/79/51/1073947951.db2.gz YJADWJSITBAWOG-MRXNPFEDSA-N 0 3 415.538 0.468 20 0 HCADHN O=S(=O)(N1CCOCC1)N1CCC(NCc2nccn2CC(F)(F)F)CC1 ZINC000605322987 1073952715 /nfs/dbraw/zinc/95/27/15/1073952715.db2.gz YKNZHBWHSZMQDD-UHFFFAOYSA-N 0 3 411.450 0.576 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000605340420 1073957076 /nfs/dbraw/zinc/95/70/76/1073957076.db2.gz JXFPURDKTSJJHQ-HNNXBMFYSA-N 0 3 415.491 0.537 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000605340421 1073957222 /nfs/dbraw/zinc/95/72/22/1073957222.db2.gz JXFPURDKTSJJHQ-OAHLLOKOSA-N 0 3 415.491 0.537 20 0 HCADHN NS(=O)(=O)c1cc(F)cc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000605341102 1073956233 /nfs/dbraw/zinc/95/62/33/1073956233.db2.gz OUISYOVYCMRDQF-UHFFFAOYSA-N 0 3 413.475 0.245 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000605341829 1073957826 /nfs/dbraw/zinc/95/78/26/1073957826.db2.gz WGGIKPSALRVYDK-UHFFFAOYSA-N 0 3 415.491 0.491 20 0 HCADHN CCc1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1S(N)(=O)=O ZINC000605342792 1073958368 /nfs/dbraw/zinc/95/83/68/1073958368.db2.gz SPLXSSMGJNZCPL-UHFFFAOYSA-N 0 3 423.539 0.668 20 0 HCADHN Cc1ccc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1S(N)(=O)=O ZINC000605343686 1073959161 /nfs/dbraw/zinc/95/91/61/1073959161.db2.gz OLMHCNVCIXRWPH-HNNXBMFYSA-N 0 3 411.528 0.707 20 0 HCADHN Cc1ccc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1S(N)(=O)=O ZINC000605343687 1073958956 /nfs/dbraw/zinc/95/89/56/1073958956.db2.gz OLMHCNVCIXRWPH-OAHLLOKOSA-N 0 3 411.528 0.707 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000605344971 1073959045 /nfs/dbraw/zinc/95/90/45/1073959045.db2.gz BYRSMXRJSUICGP-UHFFFAOYSA-N 0 3 411.528 0.660 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355909 1073975618 /nfs/dbraw/zinc/97/56/18/1073975618.db2.gz SKECFRGOQMBTQG-UHFFFAOYSA-N 0 3 419.592 0.257 20 0 HCADHN O=C(NCCCN1CCC(O)CC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000605390659 1073983865 /nfs/dbraw/zinc/98/38/65/1073983865.db2.gz QWBAAYDOMAVASV-UHFFFAOYSA-N 0 3 417.553 0.346 20 0 HCADHN O=C(CN1CCOCC1)N1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000605400015 1073986477 /nfs/dbraw/zinc/98/64/77/1073986477.db2.gz YVUALPOOUYPBCO-UHFFFAOYSA-N 0 3 408.543 0.025 20 0 HCADHN NC(=O)CNC(=O)c1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000605401197 1073987174 /nfs/dbraw/zinc/98/71/74/1073987174.db2.gz LKPZKEQSYMPKPH-UHFFFAOYSA-N 0 3 402.495 0.553 20 0 HCADHN CCN(CC)S(=O)(=O)CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000605401350 1073986585 /nfs/dbraw/zinc/98/65/85/1073986585.db2.gz KWVRMMHWPKMHOU-UHFFFAOYSA-N 0 3 410.540 0.994 20 0 HCADHN CCN1CCN(c2ccc(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)CC1 ZINC000605401386 1073986603 /nfs/dbraw/zinc/98/66/03/1073986603.db2.gz PIYGZJMXLWLQPB-UHFFFAOYSA-N 0 3 413.522 0.392 20 0 HCADHN CC1(C)C(=O)NC(=O)N1CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000605401406 1073987069 /nfs/dbraw/zinc/98/70/69/1073987069.db2.gz VBRJPRHAHGCHDI-UHFFFAOYSA-N 0 3 401.511 0.641 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)CN3C(=O)NC(=O)C3(C)C)cc2)CC1 ZINC000605401881 1073987317 /nfs/dbraw/zinc/98/73/17/1073987317.db2.gz GOHVWPGUXHJSHU-UHFFFAOYSA-N 0 3 401.511 0.771 20 0 HCADHN CC1CCN(CCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000605402232 1073987152 /nfs/dbraw/zinc/98/71/52/1073987152.db2.gz RAJVWLMHMBGNFE-HNNXBMFYSA-N 0 3 408.524 0.535 20 0 HCADHN CC1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000605402248 1073987089 /nfs/dbraw/zinc/98/70/89/1073987089.db2.gz RAJVWLMHMBGNFE-OAHLLOKOSA-N 0 3 408.524 0.535 20 0 HCADHN CCN1CCN(c2ccc(C(=O)NCCC(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC000605402790 1073987955 /nfs/dbraw/zinc/98/79/55/1073987955.db2.gz LDFQOFSEAMRPSL-UHFFFAOYSA-N 0 3 415.538 0.639 20 0 HCADHN COCCN1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000605404826 1073988645 /nfs/dbraw/zinc/98/86/45/1073988645.db2.gz IJOXKMQVJQXIMG-INIZCTEOSA-N 0 3 412.512 0.550 20 0 HCADHN COCCN1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000605404845 1073988556 /nfs/dbraw/zinc/98/85/56/1073988556.db2.gz IJOXKMQVJQXIMG-MRXNPFEDSA-N 0 3 412.512 0.550 20 0 HCADHN COCCN1CC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 ZINC000605408094 1073990067 /nfs/dbraw/zinc/99/00/67/1073990067.db2.gz YBWIUKMMZTUEHK-AWEZNQCLSA-N 0 3 413.544 0.845 20 0 HCADHN COCCN1CC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 ZINC000605408095 1073989983 /nfs/dbraw/zinc/98/99/83/1073989983.db2.gz YBWIUKMMZTUEHK-CQSZACIVSA-N 0 3 413.544 0.845 20 0 HCADHN COCCN1CC[C@@H](NC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000605408171 1073989840 /nfs/dbraw/zinc/98/98/40/1073989840.db2.gz OEFCKFJNDVVTPV-GOSISDBHSA-N 0 3 405.499 0.800 20 0 HCADHN COCCN1CC[C@H](NC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000605408176 1073989942 /nfs/dbraw/zinc/98/99/42/1073989942.db2.gz OEFCKFJNDVVTPV-SFHVURJKSA-N 0 3 405.499 0.800 20 0 HCADHN COCCN1CC[C@@H](NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 ZINC000605414621 1073992018 /nfs/dbraw/zinc/99/20/18/1073992018.db2.gz OWCYPHUUNCEMTL-GOSISDBHSA-N 0 3 416.526 0.982 20 0 HCADHN COCCN1CC[C@H](NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 ZINC000605414622 1073991913 /nfs/dbraw/zinc/99/19/13/1073991913.db2.gz OWCYPHUUNCEMTL-SFHVURJKSA-N 0 3 416.526 0.982 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000605415625 1073978836 /nfs/dbraw/zinc/97/88/36/1073978836.db2.gz CPVBLELBVQOIFF-INIZCTEOSA-N 0 3 418.542 0.687 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000605415626 1073978704 /nfs/dbraw/zinc/97/87/04/1073978704.db2.gz CPVBLELBVQOIFF-MRXNPFEDSA-N 0 3 418.542 0.687 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000605415855 1073991815 /nfs/dbraw/zinc/99/18/15/1073991815.db2.gz UIDWDUXCNSJZMY-KRWDZBQOSA-N 0 3 405.499 0.866 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000605415856 1073991777 /nfs/dbraw/zinc/99/17/77/1073991777.db2.gz UIDWDUXCNSJZMY-QGZVFWFLSA-N 0 3 405.499 0.866 20 0 HCADHN Cc1nc(CN2CCN(CC(=O)N3CCN(Cc4ccccc4C)CC3)CC2)n[nH]1 ZINC000605422628 1073982444 /nfs/dbraw/zinc/98/24/44/1073982444.db2.gz MQLBNWPJRZUYGM-UHFFFAOYSA-N 0 3 411.554 0.884 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)CC1=O ZINC000605426172 1073983224 /nfs/dbraw/zinc/98/32/24/1073983224.db2.gz XJICXZIMFWEOHV-INIZCTEOSA-N 0 3 412.494 0.257 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)CC1=O ZINC000605426173 1073983291 /nfs/dbraw/zinc/98/32/91/1073983291.db2.gz XJICXZIMFWEOHV-MRXNPFEDSA-N 0 3 412.494 0.257 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000605429976 1074002134 /nfs/dbraw/zinc/00/21/34/1074002134.db2.gz VAFHWLPLIFWCKX-KRWDZBQOSA-N 0 3 418.542 0.247 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000605429977 1074002376 /nfs/dbraw/zinc/00/23/76/1074002376.db2.gz VAFHWLPLIFWCKX-QGZVFWFLSA-N 0 3 418.542 0.247 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000605429991 1074002234 /nfs/dbraw/zinc/00/22/34/1074002234.db2.gz XDEPZAPBRFHQGE-INIZCTEOSA-N 0 3 415.538 0.924 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000605429992 1074002170 /nfs/dbraw/zinc/00/21/70/1074002170.db2.gz XDEPZAPBRFHQGE-MRXNPFEDSA-N 0 3 415.538 0.924 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605430012 1074002447 /nfs/dbraw/zinc/00/24/47/1074002447.db2.gz ZPXGIZZPRICSAX-HNNXBMFYSA-N 0 3 401.511 0.301 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605430013 1074002261 /nfs/dbraw/zinc/00/22/61/1074002261.db2.gz ZPXGIZZPRICSAX-OAHLLOKOSA-N 0 3 401.511 0.301 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000605430018 1074001599 /nfs/dbraw/zinc/00/15/99/1074001599.db2.gz AKCVCPRGLQLOGW-GOSISDBHSA-N 0 3 417.554 0.852 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000605430019 1074001829 /nfs/dbraw/zinc/00/18/29/1074001829.db2.gz AKCVCPRGLQLOGW-SFHVURJKSA-N 0 3 417.554 0.852 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000605430022 1074001898 /nfs/dbraw/zinc/00/18/98/1074001898.db2.gz BAYAFMMFYXFJRW-INIZCTEOSA-N 0 3 415.538 0.907 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000605430023 1074001746 /nfs/dbraw/zinc/00/17/46/1074001746.db2.gz BAYAFMMFYXFJRW-MRXNPFEDSA-N 0 3 415.538 0.907 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000605430032 1074001855 /nfs/dbraw/zinc/00/18/55/1074001855.db2.gz CHFOCJTVUWAUMZ-CABCVRRESA-N 0 3 417.510 0.734 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000605430033 1074001534 /nfs/dbraw/zinc/00/15/34/1074001534.db2.gz CHFOCJTVUWAUMZ-GJZGRUSLSA-N 0 3 417.510 0.734 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000605430034 1074001673 /nfs/dbraw/zinc/00/16/73/1074001673.db2.gz CHFOCJTVUWAUMZ-HUUCEWRRSA-N 0 3 417.510 0.734 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000605430035 1074001790 /nfs/dbraw/zinc/00/17/90/1074001790.db2.gz CHFOCJTVUWAUMZ-LSDHHAIUSA-N 0 3 417.510 0.734 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000605430056 1074001840 /nfs/dbraw/zinc/00/18/40/1074001840.db2.gz FICISOKOVAPUSP-AWEZNQCLSA-N 0 3 403.483 0.460 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000605430057 1074001634 /nfs/dbraw/zinc/00/16/34/1074001634.db2.gz FICISOKOVAPUSP-CQSZACIVSA-N 0 3 403.483 0.460 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000605430070 1074001814 /nfs/dbraw/zinc/00/18/14/1074001814.db2.gz HBWQQEVYAFKOPJ-HNNXBMFYSA-N 0 3 416.526 0.205 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000605430071 1074002410 /nfs/dbraw/zinc/00/24/10/1074002410.db2.gz HBWQQEVYAFKOPJ-OAHLLOKOSA-N 0 3 416.526 0.205 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)CC1 ZINC000605430210 1074001160 /nfs/dbraw/zinc/00/11/60/1074001160.db2.gz QHAXZLJSMCTDGO-HNNXBMFYSA-N 0 3 424.567 0.727 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)CC1 ZINC000605430211 1074000953 /nfs/dbraw/zinc/00/09/53/1074000953.db2.gz QHAXZLJSMCTDGO-OAHLLOKOSA-N 0 3 424.567 0.727 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)CC1 ZINC000605430214 1074001293 /nfs/dbraw/zinc/00/12/93/1074001293.db2.gz QJCYMQXYCIPHHN-INIZCTEOSA-N 0 3 403.527 0.998 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)CC1 ZINC000605430215 1074001040 /nfs/dbraw/zinc/00/10/40/1074001040.db2.gz QJCYMQXYCIPHHN-MRXNPFEDSA-N 0 3 403.527 0.998 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000605430218 1074001080 /nfs/dbraw/zinc/00/10/80/1074001080.db2.gz QRADDXYFERLAKZ-INIZCTEOSA-N 0 3 403.527 0.717 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000605430219 1074001880 /nfs/dbraw/zinc/00/18/80/1074001880.db2.gz QRADDXYFERLAKZ-MRXNPFEDSA-N 0 3 403.527 0.717 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 ZINC000605430240 1074001566 /nfs/dbraw/zinc/00/15/66/1074001566.db2.gz SBIBDGRBMLSWPC-AWEZNQCLSA-N 0 3 401.515 0.605 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 ZINC000605430241 1074001863 /nfs/dbraw/zinc/00/18/63/1074001863.db2.gz SBIBDGRBMLSWPC-CQSZACIVSA-N 0 3 401.515 0.605 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)CC1 ZINC000605430256 1074001869 /nfs/dbraw/zinc/00/18/69/1074001869.db2.gz UHBQXOARHBQMKV-INIZCTEOSA-N 0 3 419.526 0.140 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)CC1 ZINC000605430257 1074001774 /nfs/dbraw/zinc/00/17/74/1074001774.db2.gz UHBQXOARHBQMKV-MRXNPFEDSA-N 0 3 419.526 0.140 20 0 HCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)cc1 ZINC000605430278 1074001506 /nfs/dbraw/zinc/00/15/06/1074001506.db2.gz VCLFYJVUANYHGW-INIZCTEOSA-N 0 3 403.527 0.765 20 0 HCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)cc1 ZINC000605430279 1074001848 /nfs/dbraw/zinc/00/18/48/1074001848.db2.gz VCLFYJVUANYHGW-MRXNPFEDSA-N 0 3 403.527 0.765 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)CC1 ZINC000605430304 1074001803 /nfs/dbraw/zinc/00/18/03/1074001803.db2.gz WNHCMHIPYVEIIB-INIZCTEOSA-N 0 3 403.527 0.303 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)CC1 ZINC000605430305 1074001712 /nfs/dbraw/zinc/00/17/12/1074001712.db2.gz WNHCMHIPYVEIIB-MRXNPFEDSA-N 0 3 403.527 0.303 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000605430334 1074001128 /nfs/dbraw/zinc/00/11/28/1074001128.db2.gz YLTSXDDTJFCLPI-HNNXBMFYSA-N 0 3 419.526 0.982 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000605430335 1074001197 /nfs/dbraw/zinc/00/11/97/1074001197.db2.gz YLTSXDDTJFCLPI-OAHLLOKOSA-N 0 3 419.526 0.982 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1)CN1CCN(C)CC1 ZINC000605430766 1074004712 /nfs/dbraw/zinc/00/47/12/1074004712.db2.gz BGYXTEUGTDTMSG-HNNXBMFYSA-N 0 3 401.511 0.973 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1)CN1CCN(C)CC1 ZINC000605430767 1074004455 /nfs/dbraw/zinc/00/44/55/1074004455.db2.gz BGYXTEUGTDTMSG-OAHLLOKOSA-N 0 3 401.511 0.973 20 0 HCADHN COCCOc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)c1 ZINC000605430769 1074004385 /nfs/dbraw/zinc/00/43/85/1074004385.db2.gz BRUSQBGQNAKETP-INIZCTEOSA-N 0 3 406.527 0.958 20 0 HCADHN COCCOc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)c1 ZINC000605430770 1074004340 /nfs/dbraw/zinc/00/43/40/1074004340.db2.gz BRUSQBGQNAKETP-MRXNPFEDSA-N 0 3 406.527 0.958 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000605430953 1074003801 /nfs/dbraw/zinc/00/38/01/1074003801.db2.gz AIJLQWUVBRQNBS-INIZCTEOSA-N 0 3 419.526 0.092 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000605430954 1074003727 /nfs/dbraw/zinc/00/37/27/1074003727.db2.gz AIJLQWUVBRQNBS-MRXNPFEDSA-N 0 3 419.526 0.092 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1)CN1CCN(C)CC1 ZINC000605430965 1074003610 /nfs/dbraw/zinc/00/36/10/1074003610.db2.gz AVVWBHWBWLIFSJ-KRWDZBQOSA-N 0 3 415.538 0.861 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1)CN1CCN(C)CC1 ZINC000605430966 1074003765 /nfs/dbraw/zinc/00/37/65/1074003765.db2.gz AVVWBHWBWLIFSJ-QGZVFWFLSA-N 0 3 415.538 0.861 20 0 HCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)c1 ZINC000605430971 1074003655 /nfs/dbraw/zinc/00/36/55/1074003655.db2.gz BMBOTKDSYQQHII-HNNXBMFYSA-N 0 3 403.527 0.683 20 0 HCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)c1 ZINC000605430972 1074003838 /nfs/dbraw/zinc/00/38/38/1074003838.db2.gz BMBOTKDSYQQHII-OAHLLOKOSA-N 0 3 403.527 0.683 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1)CN1CCN(C)CC1 ZINC000605430983 1074004098 /nfs/dbraw/zinc/00/40/98/1074004098.db2.gz BXYDEYXHDXCWMK-AWEZNQCLSA-N 0 3 402.499 0.368 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1)CN1CCN(C)CC1 ZINC000605430984 1074003965 /nfs/dbraw/zinc/00/39/65/1074003965.db2.gz BXYDEYXHDXCWMK-CQSZACIVSA-N 0 3 402.499 0.368 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1)CN1CCN(C)CC1 ZINC000605430993 1074004768 /nfs/dbraw/zinc/00/47/68/1074004768.db2.gz CLBYOXCAOZRHAG-HNNXBMFYSA-N 0 3 402.474 0.950 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1)CN1CCN(C)CC1 ZINC000605430994 1074004623 /nfs/dbraw/zinc/00/46/23/1074004623.db2.gz CLBYOXCAOZRHAG-OAHLLOKOSA-N 0 3 402.474 0.950 20 0 HCADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)cn2)n1 ZINC000605430999 1074004799 /nfs/dbraw/zinc/00/47/99/1074004799.db2.gz CWWDXMIDHQHFEI-HNNXBMFYSA-N 0 3 413.526 0.822 20 0 HCADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)cn2)n1 ZINC000605431000 1074004591 /nfs/dbraw/zinc/00/45/91/1074004591.db2.gz CWWDXMIDHQHFEI-OAHLLOKOSA-N 0 3 413.526 0.822 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)CN1CCN(C)CC1 ZINC000605431001 1074004297 /nfs/dbraw/zinc/00/42/97/1074004297.db2.gz CYHWBWCRZVJLBE-INIZCTEOSA-N 0 3 401.511 0.752 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)CN1CCN(C)CC1 ZINC000605431002 1074004423 /nfs/dbraw/zinc/00/44/23/1074004423.db2.gz CYHWBWCRZVJLBE-MRXNPFEDSA-N 0 3 401.511 0.752 20 0 HCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000605431037 1074004524 /nfs/dbraw/zinc/00/45/24/1074004524.db2.gz GWMHFCBXIZQWET-INIZCTEOSA-N 0 3 419.526 0.140 20 0 HCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000605431038 1074003260 /nfs/dbraw/zinc/00/32/60/1074003260.db2.gz GWMHFCBXIZQWET-MRXNPFEDSA-N 0 3 419.526 0.140 20 0 HCADHN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000605431063 1074003994 /nfs/dbraw/zinc/00/39/94/1074003994.db2.gz HSHUETMBNSFERR-CVEARBPZSA-N 0 3 419.526 0.598 20 0 HCADHN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000605431064 1074004022 /nfs/dbraw/zinc/00/40/22/1074004022.db2.gz HSHUETMBNSFERR-HOTGVXAUSA-N 0 3 419.526 0.598 20 0 HCADHN CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000605431065 1074003691 /nfs/dbraw/zinc/00/36/91/1074003691.db2.gz HSHUETMBNSFERR-HZPDHXFCSA-N 0 3 419.526 0.598 20 0 HCADHN CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000605431066 1074003569 /nfs/dbraw/zinc/00/35/69/1074003569.db2.gz HSHUETMBNSFERR-JKSUJKDBSA-N 0 3 419.526 0.598 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1)CN1CCN(C)CC1 ZINC000605431079 1074003905 /nfs/dbraw/zinc/00/39/05/1074003905.db2.gz IEPSVILPSQMUGE-HNNXBMFYSA-N 0 3 419.501 0.891 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1)CN1CCN(C)CC1 ZINC000605431080 1074004053 /nfs/dbraw/zinc/00/40/53/1074004053.db2.gz IEPSVILPSQMUGE-OAHLLOKOSA-N 0 3 419.501 0.891 20 0 HCADHN CCN(Cc1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)=O ZINC000605431139 1074003870 /nfs/dbraw/zinc/00/38/70/1074003870.db2.gz MWUSGJTYUXYLFM-KRWDZBQOSA-N 0 3 417.554 0.993 20 0 HCADHN CCN(Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C(C)=O ZINC000605431140 1074003525 /nfs/dbraw/zinc/00/35/25/1074003525.db2.gz MWUSGJTYUXYLFM-QGZVFWFLSA-N 0 3 417.554 0.993 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1)CN1CCN(C)CC1 ZINC000605431189 1074003055 /nfs/dbraw/zinc/00/30/55/1074003055.db2.gz 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C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C)CN1CCN(C)CC1 ZINC000605431261 1074002901 /nfs/dbraw/zinc/00/29/01/1074002901.db2.gz TYBGISCOZMUWNT-HNNXBMFYSA-N 0 3 401.511 0.534 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C)CN1CCN(C)CC1 ZINC000605431262 1074002760 /nfs/dbraw/zinc/00/27/60/1074002760.db2.gz TYBGISCOZMUWNT-OAHLLOKOSA-N 0 3 401.511 0.534 20 0 HCADHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000605438972 1073996773 /nfs/dbraw/zinc/99/67/73/1073996773.db2.gz VLVJDQPRMJUJBU-UHFFFAOYSA-N 0 3 417.597 0.678 20 0 HCADHN Cn1c(=O)ccn(CC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c1=O ZINC000605446739 1074000027 /nfs/dbraw/zinc/00/00/27/1074000027.db2.gz AXPNGDXHVKMJAJ-UHFFFAOYSA-N 0 3 420.897 0.860 20 0 HCADHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000605513497 1074006257 /nfs/dbraw/zinc/00/62/57/1074006257.db2.gz PUEZWFVTRYDEQZ-HKUYNNGSSA-N 0 3 407.559 0.973 20 0 HCADHN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000605513498 1074006459 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COCCN1CC[C@@H](NC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000605887223 1074035832 /nfs/dbraw/zinc/03/58/32/1074035832.db2.gz HMVYBICXOQYRFF-LJQANCHMSA-N 0 3 409.575 0.731 20 0 HCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCN(CCOC)C2)c1 ZINC000605887652 1074035816 /nfs/dbraw/zinc/03/58/16/1074035816.db2.gz XKCWKBRHSOXOEI-INIZCTEOSA-N 0 3 414.528 0.131 20 0 HCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000605887653 1074035504 /nfs/dbraw/zinc/03/55/04/1074035504.db2.gz XKCWKBRHSOXOEI-MRXNPFEDSA-N 0 3 414.528 0.131 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000605888551 1074035516 /nfs/dbraw/zinc/03/55/16/1074035516.db2.gz GPNNJJIVPATPGV-UHFFFAOYSA-N 0 3 423.535 0.738 20 0 HCADHN CCN1CCN(C(=O)c2ccc(NC(=O)NC[C@H]3CN(C)CCN3C)cc2)CC1 ZINC000605916616 1074043034 /nfs/dbraw/zinc/04/30/34/1074043034.db2.gz OJIMZRHNKAIBIM-IBGZPJMESA-N 0 3 402.543 0.832 20 0 HCADHN CCN1CCN(C(=O)c2ccc(NC(=O)NC[C@@H]3CN(C)CCN3C)cc2)CC1 ZINC000605916620 1074043166 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CS(=O)(=O)NC1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCCCC1 ZINC000605952283 1074049805 /nfs/dbraw/zinc/04/98/05/1074049805.db2.gz RUYTXCCVXHVMEI-UHFFFAOYSA-N 0 3 416.588 0.992 20 0 HCADHN CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000605954114 1074049840 /nfs/dbraw/zinc/04/98/40/1074049840.db2.gz KDPFHJRRBNKMAM-UHFFFAOYSA-N 0 3 410.540 0.849 20 0 HCADHN O=C(NCCS(=O)(=O)NCc1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000605955889 1074049981 /nfs/dbraw/zinc/04/99/81/1074049981.db2.gz AENHBJKVHLRKRF-UHFFFAOYSA-N 0 3 424.567 0.860 20 0 HCADHN CCCNC(=O)CN1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000605957824 1074050103 /nfs/dbraw/zinc/05/01/03/1074050103.db2.gz RREFUERABATEQX-UHFFFAOYSA-N 0 3 409.575 0.731 20 0 HCADHN COc1cc(CNC(=O)N2CCN(CC3CCOCC3)CC2)ccc1OCC(N)=O ZINC000605957840 1074050141 /nfs/dbraw/zinc/05/01/41/1074050141.db2.gz QUVRVIZEULUXAR-UHFFFAOYSA-N 0 3 420.510 0.813 20 0 HCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)N1CCN(CC2CCOCC2)CC1 ZINC000605958796 1074050432 /nfs/dbraw/zinc/05/04/32/1074050432.db2.gz 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ZINC000605969723 1074051944 /nfs/dbraw/zinc/05/19/44/1074051944.db2.gz UXLHUXBKARNKCR-OAQYLSRUSA-N 0 3 416.526 0.568 20 0 HCADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCCCN2CCN(C)CC2)c1 ZINC000605969797 1074052149 /nfs/dbraw/zinc/05/21/49/1074052149.db2.gz MUNPWBSBOZYQGJ-INIZCTEOSA-N 0 3 411.572 0.983 20 0 HCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCCCCN2CCN(C)CC2)c1 ZINC000605969799 1074052007 /nfs/dbraw/zinc/05/20/07/1074052007.db2.gz MUNPWBSBOZYQGJ-MRXNPFEDSA-N 0 3 411.572 0.983 20 0 HCADHN CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000605970708 1074052088 /nfs/dbraw/zinc/05/20/88/1074052088.db2.gz WYKHMTSAPAKYLT-UHFFFAOYSA-N 0 3 403.527 0.836 20 0 HCADHN CN(C(=O)NCCCCN1CCN(CCO)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000605974303 1074045777 /nfs/dbraw/zinc/04/57/77/1074045777.db2.gz FOCYNSPOKANQIA-IBGZPJMESA-N 0 3 419.574 0.477 20 0 HCADHN CN(C(=O)NCCCCN1CCN(CCO)CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000605974304 1074045726 /nfs/dbraw/zinc/04/57/26/1074045726.db2.gz FOCYNSPOKANQIA-LJQANCHMSA-N 0 3 419.574 0.477 20 0 HCADHN O=C(NCCS(=O)(=O)N1CCSCC1)N1CCN(CC2CCOCC2)CC1 ZINC000605974849 1074045983 /nfs/dbraw/zinc/04/59/83/1074045983.db2.gz RVGSVKFCKWXQDV-UHFFFAOYSA-N 0 3 420.601 0.119 20 0 HCADHN O=C(NCCS(=O)(=O)NCC1CCC1)N1CCN(CC2CCOCC2)CC1 ZINC000605975529 1074046620 /nfs/dbraw/zinc/04/66/20/1074046620.db2.gz GWIIVQMZUFULKL-UHFFFAOYSA-N 0 3 402.561 0.460 20 0 HCADHN NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000605976622 1074046317 /nfs/dbraw/zinc/04/63/17/1074046317.db2.gz KPKBYUUNGFGMDE-UHFFFAOYSA-N 0 3 414.503 0.727 20 0 HCADHN Cc1ccc(N2CCC[C@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2)nn1 ZINC000605976918 1074046269 /nfs/dbraw/zinc/04/62/69/1074046269.db2.gz VWGAPZFTJRJKEX-IBGZPJMESA-N 0 3 419.574 0.443 20 0 HCADHN Cc1ccc(N2CCC[C@@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2)nn1 ZINC000605976923 1074046372 /nfs/dbraw/zinc/04/63/72/1074046372.db2.gz VWGAPZFTJRJKEX-LJQANCHMSA-N 0 3 419.574 0.443 20 0 HCADHN O=C(N[C@H]1CCN(C2CC2)C1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605977019 1074046650 /nfs/dbraw/zinc/04/66/50/1074046650.db2.gz LHQODEJPURBHTD-HNNXBMFYSA-N 0 3 400.545 0.496 20 0 HCADHN CC(=O)N1CCN(C(=O)CCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000605983498 1074047957 /nfs/dbraw/zinc/04/79/57/1074047957.db2.gz NEIVPXIVCMLDFF-UHFFFAOYSA-N 0 3 421.517 0.980 20 0 HCADHN C[C@H]1CCN(C)CCN1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605983809 1074047342 /nfs/dbraw/zinc/04/73/42/1074047342.db2.gz HAZJSZBOKADZGQ-HNNXBMFYSA-N 0 3 402.561 0.695 20 0 HCADHN C[C@@H]1CCN(C)CCN1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605983810 1074047380 /nfs/dbraw/zinc/04/73/80/1074047380.db2.gz HAZJSZBOKADZGQ-OAHLLOKOSA-N 0 3 402.561 0.695 20 0 HCADHN COCCN(CCN(C)C)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605984127 1074048461 /nfs/dbraw/zinc/04/84/61/1074048461.db2.gz LGBAVGXYYNIQGT-UHFFFAOYSA-N 0 3 420.576 0.179 20 0 HCADHN CN1CCN(CCCCNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000605985824 1074049129 /nfs/dbraw/zinc/04/91/29/1074049129.db2.gz ODOIJANONPNQKP-UHFFFAOYSA-N 0 3 403.531 0.040 20 0 HCADHN CN1CCN(CCCCNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000605985856 1074048549 /nfs/dbraw/zinc/04/85/49/1074048549.db2.gz PWUFSXPJPPWUFL-KRWDZBQOSA-N 0 3 403.593 0.517 20 0 HCADHN CN1CCN(CCCCNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000605985857 1074048321 /nfs/dbraw/zinc/04/83/21/1074048321.db2.gz PWUFSXPJPPWUFL-QGZVFWFLSA-N 0 3 403.593 0.517 20 0 HCADHN CN1CCN(CCCCNC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000605985879 1074048597 /nfs/dbraw/zinc/04/85/97/1074048597.db2.gz RPKISNVVIIBXID-MRXNPFEDSA-N 0 3 408.499 0.482 20 0 HCADHN CN1CCN(CCCCNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000605986431 1074049098 /nfs/dbraw/zinc/04/90/98/1074049098.db2.gz VPYGNDCNDXLSIU-UHFFFAOYSA-N 0 3 408.591 0.354 20 0 HCADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000605988599 1074049372 /nfs/dbraw/zinc/04/93/72/1074049372.db2.gz OLOXGPJXYMKRBJ-UHFFFAOYSA-N 0 3 407.559 0.975 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1OC ZINC000605995074 1074059888 /nfs/dbraw/zinc/05/98/88/1074059888.db2.gz KZSMAPHJLWNCMA-UHFFFAOYSA-N 0 3 400.501 0.852 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1OC ZINC000605999537 1074061248 /nfs/dbraw/zinc/06/12/48/1074061248.db2.gz KVWWQVHEZORMEJ-UHFFFAOYSA-N 0 3 412.512 0.997 20 0 HCADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000606009621 1074065473 /nfs/dbraw/zinc/06/54/73/1074065473.db2.gz GIRKDMFRNBUWFN-UHFFFAOYSA-N 0 3 416.503 0.837 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606009650 1074065347 /nfs/dbraw/zinc/06/53/47/1074065347.db2.gz IPMPETYPYQXZDD-UHFFFAOYSA-N 0 3 407.540 0.346 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 ZINC000606010034 1074065227 /nfs/dbraw/zinc/06/52/27/1074065227.db2.gz OLVAMBZBORBJHZ-UHFFFAOYSA-N 0 3 416.526 0.765 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)CC1 ZINC000606010379 1074065911 /nfs/dbraw/zinc/06/59/11/1074065911.db2.gz SHHJZFCWFXPOGR-UHFFFAOYSA-N 0 3 414.510 0.969 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 ZINC000606010444 1074065887 /nfs/dbraw/zinc/06/58/87/1074065887.db2.gz UDIKUMJNDJGDNF-UHFFFAOYSA-N 0 3 402.499 0.375 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000606010487 1074065782 /nfs/dbraw/zinc/06/57/82/1074065782.db2.gz UWYVIBWFOACKMO-GOSISDBHSA-N 0 3 417.554 0.772 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 ZINC000606010491 1074065954 /nfs/dbraw/zinc/06/59/54/1074065954.db2.gz UWYVIBWFOACKMO-SFHVURJKSA-N 0 3 417.554 0.772 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1OC ZINC000606011374 1074066205 /nfs/dbraw/zinc/06/62/05/1074066205.db2.gz ZRDJSKZHTCGUTN-CYBMUJFWSA-N 0 3 412.512 0.996 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc1OC ZINC000606011375 1074066490 /nfs/dbraw/zinc/06/64/90/1074066490.db2.gz ZRDJSKZHTCGUTN-ZDUSSCGKSA-N 0 3 412.512 0.996 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606011744 1074066225 /nfs/dbraw/zinc/06/62/25/1074066225.db2.gz ORODMVSJEKNKOU-HNNXBMFYSA-N 0 3 421.567 0.735 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606011745 1074066472 /nfs/dbraw/zinc/06/64/72/1074066472.db2.gz ORODMVSJEKNKOU-OAHLLOKOSA-N 0 3 421.567 0.735 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)N1CCC[C@@H](C)C1 ZINC000606011979 1074066320 /nfs/dbraw/zinc/06/63/20/1074066320.db2.gz LWWJFGNAMRDYJY-NEPJUHHUSA-N 0 3 400.476 0.648 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)N1CCC[C@H](C)C1 ZINC000606011982 1074066516 /nfs/dbraw/zinc/06/65/16/1074066516.db2.gz LWWJFGNAMRDYJY-NWDGAFQWSA-N 0 3 400.476 0.648 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)N1CCC[C@@H](C)C1 ZINC000606011989 1074066250 /nfs/dbraw/zinc/06/62/50/1074066250.db2.gz LWWJFGNAMRDYJY-VXGBXAGGSA-N 0 3 400.476 0.648 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)N1CCCC[C@H]1C ZINC000606012023 1074066542 /nfs/dbraw/zinc/06/65/42/1074066542.db2.gz RBJIEGDTECBCLE-NEPJUHHUSA-N 0 3 400.476 0.791 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)N1CCCC[C@@H]1C ZINC000606012033 1074066453 /nfs/dbraw/zinc/06/64/53/1074066453.db2.gz RBJIEGDTECBCLE-NWDGAFQWSA-N 0 3 400.476 0.791 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)N1CCCC[C@@H]1C ZINC000606012035 1074066275 /nfs/dbraw/zinc/06/62/75/1074066275.db2.gz RBJIEGDTECBCLE-RYUDHWBXSA-N 0 3 400.476 0.791 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)N1CCCC[C@H]1C ZINC000606012037 1074066570 /nfs/dbraw/zinc/06/65/70/1074066570.db2.gz RBJIEGDTECBCLE-VXGBXAGGSA-N 0 3 400.476 0.791 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606012136 1074066988 /nfs/dbraw/zinc/06/69/88/1074066988.db2.gz TZWDNAQOEQKAOK-AWEZNQCLSA-N 0 3 403.462 0.487 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606012137 1074066842 /nfs/dbraw/zinc/06/68/42/1074066842.db2.gz TZWDNAQOEQKAOK-CQSZACIVSA-N 0 3 403.462 0.487 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 ZINC000606012555 1074052446 /nfs/dbraw/zinc/05/24/46/1074052446.db2.gz ZBAQKGFLSZFUCY-INIZCTEOSA-N 0 3 416.526 0.763 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 ZINC000606012556 1074052357 /nfs/dbraw/zinc/05/23/57/1074052357.db2.gz ZBAQKGFLSZFUCY-MRXNPFEDSA-N 0 3 416.526 0.763 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCC[C@@H](C)C1 ZINC000606012678 1074051967 /nfs/dbraw/zinc/05/19/67/1074051967.db2.gz WIILGAWQYCVZSH-CABCVRRESA-N 0 3 410.540 0.911 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCC[C@H](C)C1 ZINC000606012680 1074051890 /nfs/dbraw/zinc/05/18/90/1074051890.db2.gz WIILGAWQYCVZSH-GJZGRUSLSA-N 0 3 410.540 0.911 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCC[C@@H](C)C1 ZINC000606012681 1074052657 /nfs/dbraw/zinc/05/26/57/1074052657.db2.gz WIILGAWQYCVZSH-HUUCEWRRSA-N 0 3 410.540 0.911 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCC[C@H](C)C1 ZINC000606012683 1074052387 /nfs/dbraw/zinc/05/23/87/1074052387.db2.gz WIILGAWQYCVZSH-LSDHHAIUSA-N 0 3 410.540 0.911 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000606015444 1074054114 /nfs/dbraw/zinc/05/41/14/1074054114.db2.gz MFNVNBADKQCFKX-CYBMUJFWSA-N 0 3 424.523 0.996 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000606015444 1074054104 /nfs/dbraw/zinc/05/41/04/1074054104.db2.gz MFNVNBADKQCFKX-CYBMUJFWSA-N 0 3 424.523 0.996 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000606015445 1074053894 /nfs/dbraw/zinc/05/38/94/1074053894.db2.gz MFNVNBADKQCFKX-ZDUSSCGKSA-N 0 3 424.523 0.996 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000606015445 1074053881 /nfs/dbraw/zinc/05/38/81/1074053881.db2.gz MFNVNBADKQCFKX-ZDUSSCGKSA-N 0 3 424.523 0.996 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)N(C)C ZINC000606020126 1074056250 /nfs/dbraw/zinc/05/62/50/1074056250.db2.gz SQTUNCFTIMWPNX-CYBMUJFWSA-N 0 3 402.451 0.910 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)N(C)C ZINC000606020128 1074056290 /nfs/dbraw/zinc/05/62/90/1074056290.db2.gz SQTUNCFTIMWPNX-ZDUSSCGKSA-N 0 3 402.451 0.910 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)N(C)C ZINC000606020338 1074056629 /nfs/dbraw/zinc/05/66/29/1074056629.db2.gz XJCRZAWQPXWCBO-LLVKDONJSA-N 0 3 402.904 0.885 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)N(C)C ZINC000606020340 1074056780 /nfs/dbraw/zinc/05/67/80/1074056780.db2.gz XJCRZAWQPXWCBO-NSHDSACASA-N 0 3 402.904 0.885 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)N(C)C ZINC000606020345 1074056663 /nfs/dbraw/zinc/05/66/63/1074056663.db2.gz XSLXWLIYXIAARG-HNNXBMFYSA-N 0 3 415.494 0.505 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)N(C)C ZINC000606020347 1074056772 /nfs/dbraw/zinc/05/67/72/1074056772.db2.gz XSLXWLIYXIAARG-OAHLLOKOSA-N 0 3 415.494 0.505 20 0 HCADHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000606026997 1074066772 /nfs/dbraw/zinc/06/67/72/1074066772.db2.gz RRYMJXGOJLOWKM-UHFFFAOYSA-N 0 3 404.492 0.863 20 0 HCADHN CCn1cc(NC(=O)C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)ccc1=O ZINC000606031342 1074070433 /nfs/dbraw/zinc/07/04/33/1074070433.db2.gz JDNICJQEPVYACY-UHFFFAOYSA-N 0 3 411.506 0.871 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1OC ZINC000606036196 1074073587 /nfs/dbraw/zinc/07/35/87/1074073587.db2.gz KYNVRJDLINFVHW-UHFFFAOYSA-N 0 3 412.512 0.948 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000606042219 1074075912 /nfs/dbraw/zinc/07/59/12/1074075912.db2.gz JUBUWVRFYXIUFQ-INIZCTEOSA-N 0 3 404.492 0.562 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000606042220 1074075994 /nfs/dbraw/zinc/07/59/94/1074075994.db2.gz JUBUWVRFYXIUFQ-MRXNPFEDSA-N 0 3 404.492 0.562 20 0 HCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047996 1074076658 /nfs/dbraw/zinc/07/66/58/1074076658.db2.gz RBKHMNVTOHOTKI-NEPJUHHUSA-N 0 3 400.476 0.648 20 0 HCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047997 1074076809 /nfs/dbraw/zinc/07/68/09/1074076809.db2.gz RBKHMNVTOHOTKI-NWDGAFQWSA-N 0 3 400.476 0.648 20 0 HCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047998 1074076740 /nfs/dbraw/zinc/07/67/40/1074076740.db2.gz RBKHMNVTOHOTKI-RYUDHWBXSA-N 0 3 400.476 0.648 20 0 HCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047999 1074076838 /nfs/dbraw/zinc/07/68/38/1074076838.db2.gz RBKHMNVTOHOTKI-VXGBXAGGSA-N 0 3 400.476 0.648 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000606052962 1074078193 /nfs/dbraw/zinc/07/81/93/1074078193.db2.gz KEMIDMNFXZBNOP-UHFFFAOYSA-N 0 3 412.512 0.116 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000606053109 1074078046 /nfs/dbraw/zinc/07/80/46/1074078046.db2.gz OPUCWSUGVZVFMZ-UHFFFAOYSA-N 0 3 408.524 0.820 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1OC ZINC000606053327 1074078411 /nfs/dbraw/zinc/07/84/11/1074078411.db2.gz COIOWTUINFWBRT-GFCCVEGCSA-N 0 3 400.501 0.852 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1OC ZINC000606053328 1074078634 /nfs/dbraw/zinc/07/86/34/1074078634.db2.gz COIOWTUINFWBRT-LBPRGKRZSA-N 0 3 400.501 0.852 20 0 HCADHN CCc1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)cc1S(N)(=O)=O ZINC000606053471 1074078594 /nfs/dbraw/zinc/07/85/94/1074078594.db2.gz SWPTZXDXWILABC-UHFFFAOYSA-N 0 3 412.512 0.062 20 0 HCADHN COCCn1ncc2ccc(NC(=O)C(=O)NC3CCN(CCOC)CC3)cc21 ZINC000606053541 1074078495 /nfs/dbraw/zinc/07/84/95/1074078495.db2.gz ZYGGKHMJSXFHDO-UHFFFAOYSA-N 0 3 403.483 0.848 20 0 HCADHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606057228 1074092905 /nfs/dbraw/zinc/09/29/05/1074092905.db2.gz GLYYAPDJOQJLHY-UHFFFAOYSA-N 0 3 400.476 0.744 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1S(N)(=O)=O ZINC000606062149 1074095120 /nfs/dbraw/zinc/09/51/20/1074095120.db2.gz ULNWLROAXPPMGA-HNNXBMFYSA-N 0 3 412.512 0.150 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1S(N)(=O)=O ZINC000606062151 1074095302 /nfs/dbraw/zinc/09/53/02/1074095302.db2.gz ULNWLROAXPPMGA-OAHLLOKOSA-N 0 3 412.512 0.150 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000606062165 1074095186 /nfs/dbraw/zinc/09/51/86/1074095186.db2.gz UZVJWSFUKSEAQG-HNNXBMFYSA-N 0 3 404.446 0.914 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000606062167 1074095341 /nfs/dbraw/zinc/09/53/41/1074095341.db2.gz UZVJWSFUKSEAQG-OAHLLOKOSA-N 0 3 404.446 0.914 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000606064507 1074080757 /nfs/dbraw/zinc/08/07/57/1074080757.db2.gz CNOOVSMIFWGUCF-HNNXBMFYSA-N 0 3 404.515 0.772 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000606064511 1074080705 /nfs/dbraw/zinc/08/07/05/1074080705.db2.gz CNOOVSMIFWGUCF-OAHLLOKOSA-N 0 3 404.515 0.772 20 0 HCADHN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000606065119 1074081201 /nfs/dbraw/zinc/08/12/01/1074081201.db2.gz KVRBUVWUNICBBP-GOSISDBHSA-N 0 3 417.510 0.667 20 0 HCADHN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000606065121 1074081122 /nfs/dbraw/zinc/08/11/22/1074081122.db2.gz KVRBUVWUNICBBP-SFHVURJKSA-N 0 3 417.510 0.667 20 0 HCADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n(C(C)(C)C)n1 ZINC000606070067 1074082529 /nfs/dbraw/zinc/08/25/29/1074082529.db2.gz CBVBWJIRDPJOAH-UHFFFAOYSA-N 0 3 404.515 0.652 20 0 HCADHN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000606070100 1074082656 /nfs/dbraw/zinc/08/26/56/1074082656.db2.gz DCRYAHSDUJQWTQ-UHFFFAOYSA-N 0 3 418.542 0.714 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000606071935 1074082963 /nfs/dbraw/zinc/08/29/63/1074082963.db2.gz HCLJGMJVSAOFKI-UHFFFAOYSA-N 0 3 404.515 0.725 20 0 HCADHN CCN1CCc2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc21 ZINC000606072097 1074083518 /nfs/dbraw/zinc/08/35/18/1074083518.db2.gz SSIDWQULBIODJP-UHFFFAOYSA-N 0 3 413.522 0.774 20 0 HCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(CCOC)CCN(C)C)cc1C ZINC000606072901 1074083612 /nfs/dbraw/zinc/08/36/12/1074083612.db2.gz WWKISWCHIILCHQ-UHFFFAOYSA-N 0 3 414.528 0.732 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2N(C)C(C)=O)CC1 ZINC000606073399 1074083854 /nfs/dbraw/zinc/08/38/54/1074083854.db2.gz XBOSYQMMLBKBAE-UHFFFAOYSA-N 0 3 417.510 0.620 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)CC1 ZINC000606073417 1074083941 /nfs/dbraw/zinc/08/39/41/1074083941.db2.gz YULNSBJBLXTLED-UHFFFAOYSA-N 0 3 420.558 0.960 20 0 HCADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606076275 1074085327 /nfs/dbraw/zinc/08/53/27/1074085327.db2.gz FBXFEYGTYVHNRC-UHFFFAOYSA-N 0 3 423.470 0.397 20 0 HCADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000606076311 1074085351 /nfs/dbraw/zinc/08/53/51/1074085351.db2.gz MADHPWKIVACEGG-UHFFFAOYSA-N 0 3 405.480 0.258 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)cc1S(N)(=O)=O ZINC000606076325 1074085193 /nfs/dbraw/zinc/08/51/93/1074085193.db2.gz NXSDFRCJYAKCJM-UHFFFAOYSA-N 0 3 419.507 0.566 20 0 HCADHN CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000606077072 1074085635 /nfs/dbraw/zinc/08/56/35/1074085635.db2.gz BCEPIYPDDDJJDE-KRWDZBQOSA-N 0 3 408.524 0.761 20 0 HCADHN CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000606077073 1074085763 /nfs/dbraw/zinc/08/57/63/1074085763.db2.gz BCEPIYPDDDJJDE-QGZVFWFLSA-N 0 3 408.524 0.761 20 0 HCADHN CN(C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000606077653 1074086073 /nfs/dbraw/zinc/08/60/73/1074086073.db2.gz AUYBKHHMXGHNIZ-UHFFFAOYSA-N 0 3 401.467 0.116 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000606078309 1074086824 /nfs/dbraw/zinc/08/68/24/1074086824.db2.gz TVAQINLRNZXJBG-HNNXBMFYSA-N 0 3 424.523 0.996 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000606078309 1074086815 /nfs/dbraw/zinc/08/68/15/1074086815.db2.gz TVAQINLRNZXJBG-HNNXBMFYSA-N 0 3 424.523 0.996 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000606078310 1074087249 /nfs/dbraw/zinc/08/72/49/1074087249.db2.gz TVAQINLRNZXJBG-OAHLLOKOSA-N 0 3 424.523 0.996 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000606078310 1074087241 /nfs/dbraw/zinc/08/72/41/1074087241.db2.gz TVAQINLRNZXJBG-OAHLLOKOSA-N 0 3 424.523 0.996 20 0 HCADHN CCc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1S(N)(=O)=O ZINC000606078632 1074086907 /nfs/dbraw/zinc/08/69/07/1074086907.db2.gz XCLUUGHFJOGRFV-INIZCTEOSA-N 0 3 408.524 0.922 20 0 HCADHN CCc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1S(N)(=O)=O ZINC000606078634 1074086784 /nfs/dbraw/zinc/08/67/84/1074086784.db2.gz XCLUUGHFJOGRFV-MRXNPFEDSA-N 0 3 408.524 0.922 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1 ZINC000606080162 1074088496 /nfs/dbraw/zinc/08/84/96/1074088496.db2.gz CMTPHZJHHBBRCV-AWEZNQCLSA-N 0 3 404.492 0.909 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1 ZINC000606080167 1074088158 /nfs/dbraw/zinc/08/81/58/1074088158.db2.gz CMTPHZJHHBBRCV-CQSZACIVSA-N 0 3 404.492 0.909 20 0 HCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606087276 1074092053 /nfs/dbraw/zinc/09/20/53/1074092053.db2.gz ZOERMZSWYQZWAV-AWEZNQCLSA-N 0 3 400.476 0.792 20 0 HCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606087278 1074092132 /nfs/dbraw/zinc/09/21/32/1074092132.db2.gz ZOERMZSWYQZWAV-CQSZACIVSA-N 0 3 400.476 0.792 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000606092490 1074110032 /nfs/dbraw/zinc/11/00/32/1074110032.db2.gz DPAFAHMBTVUSAJ-UHFFFAOYSA-N 0 3 402.451 0.912 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000606092496 1074109902 /nfs/dbraw/zinc/10/99/02/1074109902.db2.gz FNLOIIGQUZCIIW-UHFFFAOYSA-N 0 3 415.494 0.507 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC000606092525 1074110041 /nfs/dbraw/zinc/11/00/41/1074110041.db2.gz HPUOULDGADGWMA-HNNXBMFYSA-N 0 3 412.512 0.852 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1OC ZINC000606092527 1074110674 /nfs/dbraw/zinc/11/06/74/1074110674.db2.gz HPUOULDGADGWMA-OAHLLOKOSA-N 0 3 412.512 0.852 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000606093577 1074111553 /nfs/dbraw/zinc/11/15/53/1074111553.db2.gz NZCVBYLGDFPAIE-GFCCVEGCSA-N 0 3 412.512 0.994 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC000606093577 1074111546 /nfs/dbraw/zinc/11/15/46/1074111546.db2.gz NZCVBYLGDFPAIE-GFCCVEGCSA-N 0 3 412.512 0.994 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000606093578 1074111412 /nfs/dbraw/zinc/11/14/12/1074111412.db2.gz NZCVBYLGDFPAIE-LBPRGKRZSA-N 0 3 412.512 0.994 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC000606093578 1074111410 /nfs/dbraw/zinc/11/14/10/1074111410.db2.gz NZCVBYLGDFPAIE-LBPRGKRZSA-N 0 3 412.512 0.994 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cc1OC ZINC000606093641 1074111638 /nfs/dbraw/zinc/11/16/38/1074111638.db2.gz RKFFGBTXAQOAQC-UHFFFAOYSA-N 0 3 400.501 0.852 20 0 HCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1OC ZINC000606093641 1074111634 /nfs/dbraw/zinc/11/16/34/1074111634.db2.gz RKFFGBTXAQOAQC-UHFFFAOYSA-N 0 3 400.501 0.852 20 0 HCADHN CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000606093684 1074111617 /nfs/dbraw/zinc/11/16/17/1074111617.db2.gz UKDRBPPGICYBBR-UHFFFAOYSA-N 0 3 400.501 0.853 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000606093833 1074111574 /nfs/dbraw/zinc/11/15/74/1074111574.db2.gz YAOSFIPJQCWEMH-UHFFFAOYSA-N 0 3 402.904 0.886 20 0 HCADHN CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000606093949 1074110546 /nfs/dbraw/zinc/11/05/46/1074110546.db2.gz YOFHLACQWIIQEC-AWEZNQCLSA-N 0 3 412.512 0.996 20 0 HCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000606093949 1074110543 /nfs/dbraw/zinc/11/05/43/1074110543.db2.gz YOFHLACQWIIQEC-AWEZNQCLSA-N 0 3 412.512 0.996 20 0 HCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000606093950 1074111521 /nfs/dbraw/zinc/11/15/21/1074111521.db2.gz YOFHLACQWIIQEC-CQSZACIVSA-N 0 3 412.512 0.996 20 0 HCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000606093950 1074111513 /nfs/dbraw/zinc/11/15/13/1074111513.db2.gz YOFHLACQWIIQEC-CQSZACIVSA-N 0 3 412.512 0.996 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](O)[C@H]3CCOC3)cc2)CC1 ZINC000606099041 1074113971 /nfs/dbraw/zinc/11/39/71/1074113971.db2.gz QYBJFKDMGFVTDH-HKUYNNGSSA-N 0 3 404.511 0.276 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]3CCOC3)cc2)CC1 ZINC000606099042 1074114005 /nfs/dbraw/zinc/11/40/05/1074114005.db2.gz QYBJFKDMGFVTDH-IEBWSBKVSA-N 0 3 404.511 0.276 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](O)[C@@H]3CCOC3)cc2)CC1 ZINC000606099043 1074114147 /nfs/dbraw/zinc/11/41/47/1074114147.db2.gz QYBJFKDMGFVTDH-MJGOQNOKSA-N 0 3 404.511 0.276 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](O)[C@H]3CCOC3)cc2)CC1 ZINC000606099044 1074114183 /nfs/dbraw/zinc/11/41/83/1074114183.db2.gz QYBJFKDMGFVTDH-PKOBYXMFSA-N 0 3 404.511 0.276 20 0 HCADHN O=C(NC[C@H](O)[C@@H]1CCOC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000606099400 1074114930 /nfs/dbraw/zinc/11/49/30/1074114930.db2.gz SWBPNTBCMLZNKT-AEFFLSMTSA-N 0 3 407.536 0.730 20 0 HCADHN O=C(NC[C@@H](O)[C@H]1CCOC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000606099402 1074114681 /nfs/dbraw/zinc/11/46/81/1074114681.db2.gz SWBPNTBCMLZNKT-FUHWJXTLSA-N 0 3 407.536 0.730 20 0 HCADHN O=C(NC[C@@H](O)[C@@H]1CCOC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000606099403 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CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C3CCOCC3)c(C)c2)CC1 ZINC000606141561 1074134030 /nfs/dbraw/zinc/13/40/30/1074134030.db2.gz LGARKGUUZWKTRZ-HXUWFJFHSA-N 0 3 418.538 0.979 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000606363570 1074165651 /nfs/dbraw/zinc/16/56/51/1074165651.db2.gz QVVZYPILVFUJAE-KRWDZBQOSA-N 0 3 403.458 0.910 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000606363571 1074165872 /nfs/dbraw/zinc/16/58/72/1074165872.db2.gz QVVZYPILVFUJAE-QGZVFWFLSA-N 0 3 403.458 0.910 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000606365564 1074166444 /nfs/dbraw/zinc/16/64/44/1074166444.db2.gz CLVQRPNIKMVNPE-UHFFFAOYSA-N 0 3 403.458 0.736 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000606366087 1074166223 /nfs/dbraw/zinc/16/62/23/1074166223.db2.gz NUEZOLPGEHVEHO-UHFFFAOYSA-N 0 3 405.474 0.982 20 0 HCADHN Cc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606366744 1074166158 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410.540 0.768 20 0 HCADHN NC(=O)COc1ccc(CNC(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000606436312 1074175037 /nfs/dbraw/zinc/17/50/37/1074175037.db2.gz ZWBQJRDVBYNZKA-IBGZPJMESA-N 0 3 404.511 0.354 20 0 HCADHN NC(=O)COc1ccc(CNC(=O)CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000606436313 1074175157 /nfs/dbraw/zinc/17/51/57/1074175157.db2.gz ZWBQJRDVBYNZKA-LJQANCHMSA-N 0 3 404.511 0.354 20 0 HCADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000606436392 1074175731 /nfs/dbraw/zinc/17/57/31/1074175731.db2.gz BSZULTFTOHETEH-MOPGFXCFSA-N 0 3 402.543 0.700 20 0 HCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000606436393 1074175987 /nfs/dbraw/zinc/17/59/87/1074175987.db2.gz BSZULTFTOHETEH-OALUTQOASA-N 0 3 402.543 0.700 20 0 HCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000606436394 1074176016 /nfs/dbraw/zinc/17/60/16/1074176016.db2.gz BSZULTFTOHETEH-RBUKOAKNSA-N 0 3 402.543 0.700 20 0 HCADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000606436395 1074174946 /nfs/dbraw/zinc/17/49/46/1074174946.db2.gz BSZULTFTOHETEH-RTBURBONSA-N 0 3 402.543 0.700 20 0 HCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000606436556 1074176820 /nfs/dbraw/zinc/17/68/20/1074176820.db2.gz DVKXZSODQZRHSB-GOSISDBHSA-N 0 3 424.567 0.179 20 0 HCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000606436557 1074176639 /nfs/dbraw/zinc/17/66/39/1074176639.db2.gz DVKXZSODQZRHSB-SFHVURJKSA-N 0 3 424.567 0.179 20 0 HCADHN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000606436690 1074175676 /nfs/dbraw/zinc/17/56/76/1074175676.db2.gz GUUZGOGBZANJEP-DOTOQJQBSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000606436691 1074176050 /nfs/dbraw/zinc/17/60/50/1074176050.db2.gz GUUZGOGBZANJEP-NVXWUHKLSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000606436692 1074175916 /nfs/dbraw/zinc/17/59/16/1074175916.db2.gz GUUZGOGBZANJEP-RDJZCZTQSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000606436693 1074175596 /nfs/dbraw/zinc/17/55/96/1074175596.db2.gz GUUZGOGBZANJEP-WBVHZDCISA-N 0 3 410.540 0.848 20 0 HCADHN C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000606437168 1074175612 /nfs/dbraw/zinc/17/56/12/1074175612.db2.gz OVVQSENZAGALJH-DOTOQJQBSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000606437169 1074175820 /nfs/dbraw/zinc/17/58/20/1074175820.db2.gz OVVQSENZAGALJH-NVXWUHKLSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000606437170 1074175786 /nfs/dbraw/zinc/17/57/86/1074175786.db2.gz OVVQSENZAGALJH-RDJZCZTQSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000606437171 1074175652 /nfs/dbraw/zinc/17/56/52/1074175652.db2.gz OVVQSENZAGALJH-WBVHZDCISA-N 0 3 410.540 0.848 20 0 HCADHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000606437504 1074176789 /nfs/dbraw/zinc/17/67/89/1074176789.db2.gz VBONIXLUTXKHGX-KRWDZBQOSA-N 0 3 422.551 0.410 20 0 HCADHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000606437505 1074176433 /nfs/dbraw/zinc/17/64/33/1074176433.db2.gz VBONIXLUTXKHGX-QGZVFWFLSA-N 0 3 422.551 0.410 20 0 HCADHN CS(=O)(=O)c1ccc(CNC(=O)CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000606437538 1074176856 /nfs/dbraw/zinc/17/68/56/1074176856.db2.gz VNXCZRRZBFZSAI-GOSISDBHSA-N 0 3 409.552 0.893 20 0 HCADHN CS(=O)(=O)c1ccc(CNC(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000606437539 1074176719 /nfs/dbraw/zinc/17/67/19/1074176719.db2.gz VNXCZRRZBFZSAI-SFHVURJKSA-N 0 3 409.552 0.893 20 0 HCADHN CC(C)N(CCCNC(=O)CN1CCCN(C[C@H]2CCCO2)CC1)S(C)(=O)=O ZINC000606437758 1074176947 /nfs/dbraw/zinc/17/69/47/1074176947.db2.gz ZNAHACHJOZLSIX-GOSISDBHSA-N 0 3 418.604 0.349 20 0 HCADHN CC(C)N(CCCNC(=O)CN1CCCN(C[C@@H]2CCCO2)CC1)S(C)(=O)=O ZINC000606437759 1074176592 /nfs/dbraw/zinc/17/65/92/1074176592.db2.gz ZNAHACHJOZLSIX-SFHVURJKSA-N 0 3 418.604 0.349 20 0 HCADHN CCO[C@@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@H](OCC)C3)CC2)C1 ZINC000606438710 1074177238 /nfs/dbraw/zinc/17/72/38/1074177238.db2.gz IJURNHVZUSYWQM-BGYRXZFFSA-N 0 3 424.586 0.659 20 0 HCADHN CCO[C@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@H](OCC)C3)CC2)C1 ZINC000606438711 1074177448 /nfs/dbraw/zinc/17/74/48/1074177448.db2.gz IJURNHVZUSYWQM-PMACEKPBSA-N 0 3 424.586 0.659 20 0 HCADHN CCO[C@@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@@H](OCC)C3)CC2)C1 ZINC000606438712 1074177587 /nfs/dbraw/zinc/17/75/87/1074177587.db2.gz IJURNHVZUSYWQM-WOJBJXKFSA-N 0 3 424.586 0.659 20 0 HCADHN CC1CCN(CCNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000606488922 1074187975 /nfs/dbraw/zinc/18/79/75/1074187975.db2.gz NKYHMZSEENCNIQ-UHFFFAOYSA-N 0 3 417.558 0.877 20 0 HCADHN CN(C)CCN(CC1CCCCC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000606663370 1074202632 /nfs/dbraw/zinc/20/26/32/1074202632.db2.gz RONGCJMSELWETA-UHFFFAOYSA-N 0 3 417.620 0.717 20 0 HCADHN Cc1ccoc1C(=O)NCCCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000606665776 1074202611 /nfs/dbraw/zinc/20/26/11/1074202611.db2.gz PPENZWWXFFWGKC-INIZCTEOSA-N 0 3 407.515 0.950 20 0 HCADHN Cc1ccoc1C(=O)NCCCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000606665777 1074203396 /nfs/dbraw/zinc/20/33/96/1074203396.db2.gz PPENZWWXFFWGKC-MRXNPFEDSA-N 0 3 407.515 0.950 20 0 HCADHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)CC2 ZINC000606690298 1074208841 /nfs/dbraw/zinc/20/88/41/1074208841.db2.gz SGCIXYWXWFYNFO-KRWDZBQOSA-N 0 3 407.563 0.406 20 0 HCADHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCCN1CCN(CCO)CC1)CC2 ZINC000606690299 1074208788 /nfs/dbraw/zinc/20/87/88/1074208788.db2.gz SGCIXYWXWFYNFO-QGZVFWFLSA-N 0 3 407.563 0.406 20 0 HCADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000606690494 1074207865 /nfs/dbraw/zinc/20/78/65/1074207865.db2.gz AZBKYFUHZUSZDN-INIZCTEOSA-N 0 3 401.515 0.382 20 0 HCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000606690495 1074208764 /nfs/dbraw/zinc/20/87/64/1074208764.db2.gz AZBKYFUHZUSZDN-MRXNPFEDSA-N 0 3 401.515 0.382 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000606695345 1074204996 /nfs/dbraw/zinc/20/49/96/1074204996.db2.gz PYPAIAYQZBOGRD-UHFFFAOYSA-N 0 3 401.309 0.868 20 0 HCADHN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000606720701 1074215278 /nfs/dbraw/zinc/21/52/78/1074215278.db2.gz YAIBCTATOSVQIL-GFCCVEGCSA-N 0 3 400.501 0.340 20 0 HCADHN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000606720709 1074215678 /nfs/dbraw/zinc/21/56/78/1074215678.db2.gz YAIBCTATOSVQIL-LBPRGKRZSA-N 0 3 400.501 0.340 20 0 HCADHN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000606724950 1074217251 /nfs/dbraw/zinc/21/72/51/1074217251.db2.gz AZJOWQYGYFLYJX-UHFFFAOYSA-N 0 3 412.512 0.485 20 0 HCADHN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCN(C)CC ZINC000606725072 1074216657 /nfs/dbraw/zinc/21/66/57/1074216657.db2.gz DVAGQFURUUOXFG-UHFFFAOYSA-N 0 3 400.501 0.342 20 0 HCADHN COCCN(C)CCNC(=O)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606725882 1074217182 /nfs/dbraw/zinc/21/71/82/1074217182.db2.gz QIROPUGZIRBCOB-IAGOWNOFSA-N 0 3 406.527 0.929 20 0 HCADHN COCCN(C)CCNC(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606725884 1074216979 /nfs/dbraw/zinc/21/69/79/1074216979.db2.gz QIROPUGZIRBCOB-IRXDYDNUSA-N 0 3 406.527 0.929 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000606726982 1074218796 /nfs/dbraw/zinc/21/87/96/1074218796.db2.gz BPFNETXQLCGQOK-UHFFFAOYSA-N 0 3 416.482 0.731 20 0 HCADHN COc1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1OCC(N)=O ZINC000606740012 1074210277 /nfs/dbraw/zinc/21/02/77/1074210277.db2.gz BMNKWQUXJRUZBG-UHFFFAOYSA-N 0 3 418.494 0.975 20 0 HCADHN CN1C[C@@H](NC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC1=O ZINC000606742088 1074210984 /nfs/dbraw/zinc/21/09/84/1074210984.db2.gz GMECSFMZNCXVMQ-KRWDZBQOSA-N 0 3 404.536 0.953 20 0 HCADHN CN1C[C@H](NC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC1=O ZINC000606742110 1074211081 /nfs/dbraw/zinc/21/10/81/1074211081.db2.gz GMECSFMZNCXVMQ-QGZVFWFLSA-N 0 3 404.536 0.953 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)c(C)c2)CC1 ZINC000606742675 1074211064 /nfs/dbraw/zinc/21/10/64/1074211064.db2.gz HJFXDJISXUIQLF-INIZCTEOSA-N 0 3 401.511 0.812 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)c(C)c2)CC1 ZINC000606742678 1074211047 /nfs/dbraw/zinc/21/10/47/1074211047.db2.gz HJFXDJISXUIQLF-MRXNPFEDSA-N 0 3 401.511 0.812 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)cc2)CC1 ZINC000606743885 1074212151 /nfs/dbraw/zinc/21/21/51/1074212151.db2.gz TXSXHXPWTVIOKZ-GOSISDBHSA-N 0 3 401.511 0.500 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)CC1 ZINC000606743886 1074212296 /nfs/dbraw/zinc/21/22/96/1074212296.db2.gz TXSXHXPWTVIOKZ-SFHVURJKSA-N 0 3 401.511 0.500 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)CN1CCOCC1 ZINC000606750363 1074223606 /nfs/dbraw/zinc/22/36/06/1074223606.db2.gz OBZPHEMPUUCYNC-GOSISDBHSA-N 0 3 417.554 0.457 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)CN1CCOCC1 ZINC000606750365 1074223691 /nfs/dbraw/zinc/22/36/91/1074223691.db2.gz OBZPHEMPUUCYNC-SFHVURJKSA-N 0 3 417.554 0.457 20 0 HCADHN Cn1c2ncn(CCC(=O)N(CCN3CCCC3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000606816155 1074228425 /nfs/dbraw/zinc/22/84/25/1074228425.db2.gz XMOCAPYYMRZWQR-UHFFFAOYSA-N 0 3 424.505 0.953 20 0 HCADHN NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000606833595 1074232351 /nfs/dbraw/zinc/23/23/51/1074232351.db2.gz BXLOUEPDAJMFMQ-GOSISDBHSA-N 0 3 423.583 0.621 20 0 HCADHN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000606833599 1074232282 /nfs/dbraw/zinc/23/22/82/1074232282.db2.gz BXLOUEPDAJMFMQ-SFHVURJKSA-N 0 3 423.583 0.621 20 0 HCADHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)cc2)CC1 ZINC000606835783 1074234909 /nfs/dbraw/zinc/23/49/09/1074234909.db2.gz SXCIMGDEKKRTNL-KRWDZBQOSA-N 0 3 423.583 0.862 20 0 HCADHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)cc2)CC1 ZINC000606835786 1074235065 /nfs/dbraw/zinc/23/50/65/1074235065.db2.gz SXCIMGDEKKRTNL-QGZVFWFLSA-N 0 3 423.583 0.862 20 0 HCADHN Cc1c(C(=O)N2CCS(=O)(=O)C[C@H]2C)nnn1-c1cccc2c1CCN(C)C2 ZINC000606853708 1074241792 /nfs/dbraw/zinc/24/17/92/1074241792.db2.gz YRIBHIAHGINOLA-CYBMUJFWSA-N 0 3 403.508 0.823 20 0 HCADHN Cc1c(C(=O)N2CCS(=O)(=O)C[C@@H]2C)nnn1-c1cccc2c1CCN(C)C2 ZINC000606853709 1074242001 /nfs/dbraw/zinc/24/20/01/1074242001.db2.gz YRIBHIAHGINOLA-ZDUSSCGKSA-N 0 3 403.508 0.823 20 0 HCADHN O=C(c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)N1CC[C@H](CN2CCCC2)C1 ZINC000606878966 1074245821 /nfs/dbraw/zinc/24/58/21/1074245821.db2.gz OJLJBASLBICWTQ-CYBMUJFWSA-N 0 3 402.480 0.656 20 0 HCADHN O=C(c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)N1CC[C@@H](CN2CCCC2)C1 ZINC000606878989 1074246380 /nfs/dbraw/zinc/24/63/80/1074246380.db2.gz OJLJBASLBICWTQ-ZDUSSCGKSA-N 0 3 402.480 0.656 20 0 HCADHN COC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 ZINC000606897780 1074243599 /nfs/dbraw/zinc/24/35/99/1074243599.db2.gz SGKCAKHXUDCREM-INIZCTEOSA-N 0 3 411.524 0.496 20 0 HCADHN COC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 ZINC000606897781 1074243524 /nfs/dbraw/zinc/24/35/24/1074243524.db2.gz SGKCAKHXUDCREM-MRXNPFEDSA-N 0 3 411.524 0.496 20 0 HCADHN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000606932847 1074250202 /nfs/dbraw/zinc/25/02/02/1074250202.db2.gz WYHWZTDBNGPSOB-AWEZNQCLSA-N 0 3 422.493 0.886 20 0 HCADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000606932848 1074250362 /nfs/dbraw/zinc/25/03/62/1074250362.db2.gz WYHWZTDBNGPSOB-CQSZACIVSA-N 0 3 422.493 0.886 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000606977584 1074259475 /nfs/dbraw/zinc/25/94/75/1074259475.db2.gz YJHGTEJDUQPAMU-KRWDZBQOSA-N 0 3 403.531 0.641 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000606977585 1074259665 /nfs/dbraw/zinc/25/96/65/1074259665.db2.gz YJHGTEJDUQPAMU-QGZVFWFLSA-N 0 3 403.531 0.641 20 0 HCADHN C[C@H](c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1)N1CCOCC1 ZINC000606988462 1074260098 /nfs/dbraw/zinc/26/00/98/1074260098.db2.gz VDFLVMIZGRADAB-GOSISDBHSA-N 0 3 417.554 0.772 20 0 HCADHN C[C@@H](c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1)N1CCOCC1 ZINC000606988463 1074260156 /nfs/dbraw/zinc/26/01/56/1074260156.db2.gz VDFLVMIZGRADAB-SFHVURJKSA-N 0 3 417.554 0.772 20 0 HCADHN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000606991009 1074260585 /nfs/dbraw/zinc/26/05/85/1074260585.db2.gz HSFZJFXNUNXPAW-GFCCVEGCSA-N 0 3 414.528 0.777 20 0 HCADHN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000606991010 1074260547 /nfs/dbraw/zinc/26/05/47/1074260547.db2.gz HSFZJFXNUNXPAW-LBPRGKRZSA-N 0 3 414.528 0.777 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)CN1CCN(C)CC1 ZINC000606996917 1074252636 /nfs/dbraw/zinc/25/26/36/1074252636.db2.gz FGUCJSRILMQQKZ-HNNXBMFYSA-N 0 3 401.511 0.517 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)CN1CCN(C)CC1 ZINC000606996921 1074252701 /nfs/dbraw/zinc/25/27/01/1074252701.db2.gz FGUCJSRILMQQKZ-OAHLLOKOSA-N 0 3 401.511 0.517 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2)CN1CCN(C)CC1 ZINC000606997212 1074253382 /nfs/dbraw/zinc/25/33/82/1074253382.db2.gz LUUGEEPIEOKMAR-CYBMUJFWSA-N 0 3 405.474 0.649 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2)CN1CCN(C)CC1 ZINC000606997235 1074253224 /nfs/dbraw/zinc/25/32/24/1074253224.db2.gz LUUGEEPIEOKMAR-ZDUSSCGKSA-N 0 3 405.474 0.649 20 0 HCADHN COCCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000606997597 1074253292 /nfs/dbraw/zinc/25/32/92/1074253292.db2.gz VEYKHYSOELPMLX-HNNXBMFYSA-N 0 3 410.490 0.789 20 0 HCADHN COCCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000606997620 1074253064 /nfs/dbraw/zinc/25/30/64/1074253064.db2.gz VEYKHYSOELPMLX-OAHLLOKOSA-N 0 3 410.490 0.789 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)CN1CCN(C)CC1 ZINC000606998569 1074254550 /nfs/dbraw/zinc/25/45/50/1074254550.db2.gz AHQKDXVSIOXTQX-HNNXBMFYSA-N 0 3 403.527 0.388 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)CN1CCN(C)CC1 ZINC000606998574 1074254413 /nfs/dbraw/zinc/25/44/13/1074254413.db2.gz AHQKDXVSIOXTQX-OAHLLOKOSA-N 0 3 403.527 0.388 20 0 HCADHN Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000606998674 1074253973 /nfs/dbraw/zinc/25/39/73/1074253973.db2.gz CQZZQOPPDSDEEL-HNNXBMFYSA-N 0 3 403.527 0.635 20 0 HCADHN Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000606998678 1074253812 /nfs/dbraw/zinc/25/38/12/1074253812.db2.gz CQZZQOPPDSDEEL-OAHLLOKOSA-N 0 3 403.527 0.635 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC2)c1)CN1CCN(C)CC1 ZINC000606998729 1074253779 /nfs/dbraw/zinc/25/37/79/1074253779.db2.gz DJFJKDXLAFQQOW-QGZVFWFLSA-N 0 3 415.538 0.861 20 0 HCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1F ZINC000606998759 1074253739 /nfs/dbraw/zinc/25/37/39/1074253739.db2.gz DZMWOJQVLZVQSH-CYBMUJFWSA-N 0 3 418.477 0.048 20 0 HCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1F ZINC000606998768 1074253660 /nfs/dbraw/zinc/25/36/60/1074253660.db2.gz DZMWOJQVLZVQSH-ZDUSSCGKSA-N 0 3 418.477 0.048 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC(N)=O)CN1CCN(C)CC1 ZINC000606998805 1074253838 /nfs/dbraw/zinc/25/38/38/1074253838.db2.gz FPGJLRCOXUKJKH-HNNXBMFYSA-N 0 3 421.567 0.592 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC(N)=O)CN1CCN(C)CC1 ZINC000606998819 1074253705 /nfs/dbraw/zinc/25/37/05/1074253705.db2.gz FPGJLRCOXUKJKH-OAHLLOKOSA-N 0 3 421.567 0.592 20 0 HCADHN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000606999100 1074255071 /nfs/dbraw/zinc/25/50/71/1074255071.db2.gz JLOWPSZNCFMTSP-HNNXBMFYSA-N 0 3 414.510 0.825 20 0 HCADHN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000606999110 1074255153 /nfs/dbraw/zinc/25/51/53/1074255153.db2.gz JLOWPSZNCFMTSP-OAHLLOKOSA-N 0 3 414.510 0.825 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)c(C)c2)CC1 ZINC000606999401 1074255137 /nfs/dbraw/zinc/25/51/37/1074255137.db2.gz RVPIWFGHLDCKHF-UHFFFAOYSA-N 0 3 408.524 0.332 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)CN1CCN(C)CC1 ZINC000606999430 1074255047 /nfs/dbraw/zinc/25/50/47/1074255047.db2.gz PGGWLYXIVQCLEL-AWEZNQCLSA-N 0 3 403.462 0.345 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)CN1CCN(C)CC1 ZINC000606999435 1074254952 /nfs/dbraw/zinc/25/49/52/1074254952.db2.gz PGGWLYXIVQCLEL-CQSZACIVSA-N 0 3 403.462 0.345 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)CN1CCN(C)CC1 ZINC000606999745 1074254427 /nfs/dbraw/zinc/25/44/27/1074254427.db2.gz QGGMHJHEQOOSDB-APWZRJJASA-N 0 3 404.511 0.793 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)CN1CCN(C)CC1 ZINC000606999746 1074254533 /nfs/dbraw/zinc/25/45/33/1074254533.db2.gz QGGMHJHEQOOSDB-LPHOPBHVSA-N 0 3 404.511 0.793 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)CN1CCN(C)CC1 ZINC000606999749 1074254307 /nfs/dbraw/zinc/25/43/07/1074254307.db2.gz QGGMHJHEQOOSDB-QFBILLFUSA-N 0 3 404.511 0.793 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)CN1CCN(C)CC1 ZINC000606999754 1074254331 /nfs/dbraw/zinc/25/43/31/1074254331.db2.gz QGGMHJHEQOOSDB-VQIMIIECSA-N 0 3 404.511 0.793 20 0 HCADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000606999808 1074254376 /nfs/dbraw/zinc/25/43/76/1074254376.db2.gz RUGACTKKIUHTFT-HNNXBMFYSA-N 0 3 404.515 0.766 20 0 HCADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000606999812 1074254507 /nfs/dbraw/zinc/25/45/07/1074254507.db2.gz RUGACTKKIUHTFT-OAHLLOKOSA-N 0 3 404.515 0.766 20 0 HCADHN COCCn1ncc2ccc(NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)cc21 ZINC000606999822 1074255111 /nfs/dbraw/zinc/25/51/11/1074255111.db2.gz RXSIPSFRQWWRIV-INIZCTEOSA-N 0 3 416.526 0.621 20 0 HCADHN COCCn1ncc2ccc(NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)cc21 ZINC000606999826 1074254346 /nfs/dbraw/zinc/25/43/46/1074254346.db2.gz RXSIPSFRQWWRIV-MRXNPFEDSA-N 0 3 416.526 0.621 20 0 HCADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(OC)c1OC ZINC000606999898 1074254458 /nfs/dbraw/zinc/25/44/58/1074254458.db2.gz VQKWYCXYPZEODI-AWEZNQCLSA-N 0 3 408.499 0.651 20 0 HCADHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(OC)c1OC ZINC000606999905 1074254401 /nfs/dbraw/zinc/25/44/01/1074254401.db2.gz VQKWYCXYPZEODI-CQSZACIVSA-N 0 3 408.499 0.651 20 0 HCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000607000301 1074255422 /nfs/dbraw/zinc/25/54/22/1074255422.db2.gz BDSKKFVULCDPRZ-UHFFFAOYSA-N 0 3 411.549 0.473 20 0 HCADHN COC[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000607002231 1074256625 /nfs/dbraw/zinc/25/66/25/1074256625.db2.gz QESNPBHEMXOXEA-INIZCTEOSA-N 0 3 402.495 0.817 20 0 HCADHN COC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000607002239 1074256491 /nfs/dbraw/zinc/25/64/91/1074256491.db2.gz QESNPBHEMXOXEA-MRXNPFEDSA-N 0 3 402.495 0.817 20 0 HCADHN CC(=O)N[C@H](CCC(N)=O)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000607034415 1074265613 /nfs/dbraw/zinc/26/56/13/1074265613.db2.gz PVIIOVPUPXRWOR-GOSISDBHSA-N 0 3 408.474 0.555 20 0 HCADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000607034416 1074265530 /nfs/dbraw/zinc/26/55/30/1074265530.db2.gz PVIIOVPUPXRWOR-SFHVURJKSA-N 0 3 408.474 0.555 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000607047094 1074268336 /nfs/dbraw/zinc/26/83/36/1074268336.db2.gz DHEFKWRVOWJPKP-GOSISDBHSA-N 0 3 400.527 0.144 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000607047095 1074268596 /nfs/dbraw/zinc/26/85/96/1074268596.db2.gz DHEFKWRVOWJPKP-SFHVURJKSA-N 0 3 400.527 0.144 20 0 HCADHN Cc1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc(S(N)(=O)=O)c1C ZINC000607047222 1074268275 /nfs/dbraw/zinc/26/82/75/1074268275.db2.gz GTSVIIWKCSSCGL-INIZCTEOSA-N 0 3 408.524 0.505 20 0 HCADHN Cc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc(S(N)(=O)=O)c1C ZINC000607047259 1074268547 /nfs/dbraw/zinc/26/85/47/1074268547.db2.gz GTSVIIWKCSSCGL-MRXNPFEDSA-N 0 3 408.524 0.505 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000607052398 1074262360 /nfs/dbraw/zinc/26/23/60/1074262360.db2.gz ANYBHODZYQFNKI-UHFFFAOYSA-N 0 3 401.305 0.868 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000607052599 1074262447 /nfs/dbraw/zinc/26/24/47/1074262447.db2.gz MZMAXZKIXWOMPT-UHFFFAOYSA-N 0 3 424.567 0.654 20 0 HCADHN COc1cc(C(=O)NCC(=O)N(C)CCCN2CCN(C)CC2)cc(OC)c1OC ZINC000607052769 1074262336 /nfs/dbraw/zinc/26/23/36/1074262336.db2.gz RRZGQGUNPZXTOW-UHFFFAOYSA-N 0 3 422.526 0.538 20 0 HCADHN C[C@@H](CNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)CN1CCN(C)CC1 ZINC000607058051 1074263471 /nfs/dbraw/zinc/26/34/71/1074263471.db2.gz ULFKSVDUUSWDIE-HNNXBMFYSA-N 0 3 404.515 0.297 20 0 HCADHN C[C@H](CNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)CN1CCN(C)CC1 ZINC000607058052 1074263560 /nfs/dbraw/zinc/26/35/60/1074263560.db2.gz ULFKSVDUUSWDIE-OAHLLOKOSA-N 0 3 404.515 0.297 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000607086172 1074270220 /nfs/dbraw/zinc/27/02/20/1074270220.db2.gz CBGDCCOOOPJFDE-INIZCTEOSA-N 0 3 424.505 0.557 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000607086173 1074270053 /nfs/dbraw/zinc/27/00/53/1074270053.db2.gz CBGDCCOOOPJFDE-MRXNPFEDSA-N 0 3 424.505 0.557 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000607086977 1074270102 /nfs/dbraw/zinc/27/01/02/1074270102.db2.gz FUKKQYLYRLLBQA-INIZCTEOSA-N 0 3 424.505 0.557 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000607086978 1074270261 /nfs/dbraw/zinc/27/02/61/1074270261.db2.gz FUKKQYLYRLLBQA-MRXNPFEDSA-N 0 3 424.505 0.557 20 0 HCADHN Cc1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1S(N)(=O)=O ZINC000607211342 1074286567 /nfs/dbraw/zinc/28/65/67/1074286567.db2.gz CXQRFXQERDXHBR-UHFFFAOYSA-N 0 3 413.544 0.154 20 0 HCADHN CC(C)(C(N)=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000607213740 1074286535 /nfs/dbraw/zinc/28/65/35/1074286535.db2.gz STQYGWOCCYLLPN-UHFFFAOYSA-N 0 3 405.543 0.961 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000607240166 1074289653 /nfs/dbraw/zinc/28/96/53/1074289653.db2.gz UKULRJUPLAQZBC-JYJNAYRXSA-N 0 3 402.561 0.584 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000607240171 1074289761 /nfs/dbraw/zinc/28/97/61/1074289761.db2.gz UKULRJUPLAQZBC-OAGGEKHMSA-N 0 3 402.561 0.584 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000607240172 1074289623 /nfs/dbraw/zinc/28/96/23/1074289623.db2.gz UKULRJUPLAQZBC-PMPSAXMXSA-N 0 3 402.561 0.584 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000607240173 1074289831 /nfs/dbraw/zinc/28/98/31/1074289831.db2.gz UKULRJUPLAQZBC-XHSDSOJGSA-N 0 3 402.561 0.584 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CCCC1 ZINC000607257504 1074294023 /nfs/dbraw/zinc/29/40/23/1074294023.db2.gz KTFGACHSNRRUFC-GFCCVEGCSA-N 0 3 412.487 0.805 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CCCC1 ZINC000607257505 1074293981 /nfs/dbraw/zinc/29/39/81/1074293981.db2.gz KTFGACHSNRRUFC-LBPRGKRZSA-N 0 3 412.487 0.805 20 0 HCADHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1S(=O)(=O)NC1CC1 ZINC000607257750 1074293488 /nfs/dbraw/zinc/29/34/88/1074293488.db2.gz VTPHDSNQEWPYJR-AWEZNQCLSA-N 0 3 408.524 0.975 20 0 HCADHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1S(=O)(=O)NC1CC1 ZINC000607257751 1074293684 /nfs/dbraw/zinc/29/36/84/1074293684.db2.gz VTPHDSNQEWPYJR-CQSZACIVSA-N 0 3 408.524 0.975 20 0 HCADHN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000607258479 1074294716 /nfs/dbraw/zinc/29/47/16/1074294716.db2.gz VUABQHRXTDUSCQ-CYBMUJFWSA-N 0 3 414.528 0.729 20 0 HCADHN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000607258480 1074295090 /nfs/dbraw/zinc/29/50/90/1074295090.db2.gz VUABQHRXTDUSCQ-ZDUSSCGKSA-N 0 3 414.528 0.729 20 0 HCADHN O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000607262498 1074296658 /nfs/dbraw/zinc/29/66/58/1074296658.db2.gz LDHHXYAPPRVFHO-HNNXBMFYSA-N 0 3 424.498 0.805 20 0 HCADHN O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000607262499 1074296825 /nfs/dbraw/zinc/29/68/25/1074296825.db2.gz LDHHXYAPPRVFHO-OAHLLOKOSA-N 0 3 424.498 0.805 20 0 HCADHN Cc1c(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cccc1S(=O)(=O)NC1CC1 ZINC000607262613 1074297303 /nfs/dbraw/zinc/29/73/03/1074297303.db2.gz PXMZBUUFAYUSNT-INIZCTEOSA-N 0 3 420.535 0.975 20 0 HCADHN Cc1c(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cccc1S(=O)(=O)NC1CC1 ZINC000607262614 1074297274 /nfs/dbraw/zinc/29/72/74/1074297274.db2.gz PXMZBUUFAYUSNT-MRXNPFEDSA-N 0 3 420.535 0.975 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1S(=O)(=O)NC1CC1 ZINC000607262645 1074296744 /nfs/dbraw/zinc/29/67/44/1074296744.db2.gz RRENGBQRHBWONO-KRWDZBQOSA-N 0 3 420.535 0.975 20 0 HCADHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1S(=O)(=O)NC1CC1 ZINC000607262646 1074296792 /nfs/dbraw/zinc/29/67/92/1074296792.db2.gz RRENGBQRHBWONO-QGZVFWFLSA-N 0 3 420.535 0.975 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C ZINC000607263156 1074296627 /nfs/dbraw/zinc/29/66/27/1074296627.db2.gz BRHSTAFWBYRDMM-HNNXBMFYSA-N 0 3 408.524 0.975 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C ZINC000607263157 1074296762 /nfs/dbraw/zinc/29/67/62/1074296762.db2.gz BRHSTAFWBYRDMM-OAHLLOKOSA-N 0 3 408.524 0.975 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC000607263654 1074297776 /nfs/dbraw/zinc/29/77/76/1074297776.db2.gz WGWCCEUYKZEUSO-INIZCTEOSA-N 0 3 408.524 0.975 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC000607263655 1074298089 /nfs/dbraw/zinc/29/80/89/1074298089.db2.gz WGWCCEUYKZEUSO-MRXNPFEDSA-N 0 3 408.524 0.975 20 0 HCADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000607282535 1074305666 /nfs/dbraw/zinc/30/56/66/1074305666.db2.gz SAXAREFIRAMIIS-UHFFFAOYSA-N 0 3 422.511 0.339 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000607285157 1074307149 /nfs/dbraw/zinc/30/71/49/1074307149.db2.gz LRUAGMNJTPLAAG-MSOLQXFVSA-N 0 3 414.506 0.564 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000607285164 1074307344 /nfs/dbraw/zinc/30/73/44/1074307344.db2.gz LRUAGMNJTPLAAG-ROUUACIJSA-N 0 3 414.506 0.564 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000607285165 1074307111 /nfs/dbraw/zinc/30/71/11/1074307111.db2.gz LRUAGMNJTPLAAG-ZWKOTPCHSA-N 0 3 414.506 0.564 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000607338331 1074315798 /nfs/dbraw/zinc/31/57/98/1074315798.db2.gz QBHGTZYZPVLWOV-PMACEKPBSA-N 0 3 402.539 0.946 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000607338332 1074315722 /nfs/dbraw/zinc/31/57/22/1074315722.db2.gz QBHGTZYZPVLWOV-UXHICEINSA-N 0 3 402.539 0.946 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000607338333 1074315572 /nfs/dbraw/zinc/31/55/72/1074315572.db2.gz QBHGTZYZPVLWOV-VQTJNVASSA-N 0 3 402.539 0.946 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000607338334 1074315450 /nfs/dbraw/zinc/31/54/50/1074315450.db2.gz QBHGTZYZPVLWOV-WOJBJXKFSA-N 0 3 402.539 0.946 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000607338396 1074315656 /nfs/dbraw/zinc/31/56/56/1074315656.db2.gz PTCXJKMFHSJTDT-PMACEKPBSA-N 0 3 400.523 0.828 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000607338397 1074315893 /nfs/dbraw/zinc/31/58/93/1074315893.db2.gz PTCXJKMFHSJTDT-UXHICEINSA-N 0 3 400.523 0.828 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000607338398 1074315615 /nfs/dbraw/zinc/31/56/15/1074315615.db2.gz PTCXJKMFHSJTDT-VQTJNVASSA-N 0 3 400.523 0.828 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000607338399 1074316217 /nfs/dbraw/zinc/31/62/17/1074316217.db2.gz PTCXJKMFHSJTDT-WOJBJXKFSA-N 0 3 400.523 0.828 20 0 HCADHN COCC(=O)N1CCC(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000607393716 1074327357 /nfs/dbraw/zinc/32/73/57/1074327357.db2.gz FHZVMESSOFDCSU-NRFANRHFSA-N 0 3 404.511 0.560 20 0 HCADHN COCC(=O)N1CCC(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000607393717 1074327133 /nfs/dbraw/zinc/32/71/33/1074327133.db2.gz FHZVMESSOFDCSU-OAQYLSRUSA-N 0 3 404.511 0.560 20 0 HCADHN CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000607408428 1074328261 /nfs/dbraw/zinc/32/82/61/1074328261.db2.gz NXFCDYHLZYVTSN-IBGZPJMESA-N 0 3 412.556 0.594 20 0 HCADHN CCS(=O)(=O)N(C)CCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000607408429 1074328386 /nfs/dbraw/zinc/32/83/86/1074328386.db2.gz NXFCDYHLZYVTSN-LJQANCHMSA-N 0 3 412.556 0.594 20 0 HCADHN CCN(CCCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)S(C)(=O)=O ZINC000607409236 1074328404 /nfs/dbraw/zinc/32/84/04/1074328404.db2.gz PKYUCAYXYAYQOB-IBGZPJMESA-N 0 3 412.556 0.594 20 0 HCADHN CCN(CCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)S(C)(=O)=O ZINC000607409237 1074328298 /nfs/dbraw/zinc/32/82/98/1074328298.db2.gz PKYUCAYXYAYQOB-LJQANCHMSA-N 0 3 412.556 0.594 20 0 HCADHN O=C(NCCCN1CCCS1(=O)=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000607411391 1074328437 /nfs/dbraw/zinc/32/84/37/1074328437.db2.gz NQKBPOUZMNJAEX-IBGZPJMESA-N 0 3 410.540 0.348 20 0 HCADHN O=C(NCCCN1CCCS1(=O)=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000607411398 1074328486 /nfs/dbraw/zinc/32/84/86/1074328486.db2.gz NQKBPOUZMNJAEX-LJQANCHMSA-N 0 3 410.540 0.348 20 0 HCADHN CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000607412133 1074328891 /nfs/dbraw/zinc/32/88/91/1074328891.db2.gz USCJXCWPQQOGQW-HKUYNNGSSA-N 0 3 410.540 0.347 20 0 HCADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000607412134 1074328930 /nfs/dbraw/zinc/32/89/30/1074328930.db2.gz USCJXCWPQQOGQW-IEBWSBKVSA-N 0 3 410.540 0.347 20 0 HCADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000607412135 1074328756 /nfs/dbraw/zinc/32/87/56/1074328756.db2.gz USCJXCWPQQOGQW-MJGOQNOKSA-N 0 3 410.540 0.347 20 0 HCADHN CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000607412136 1074328806 /nfs/dbraw/zinc/32/88/06/1074328806.db2.gz USCJXCWPQQOGQW-PKOBYXMFSA-N 0 3 410.540 0.347 20 0 HCADHN Cn1cc(N2CC[C@H](NC(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)C2=O)cn1 ZINC000607414473 1074323440 /nfs/dbraw/zinc/32/34/40/1074323440.db2.gz AQKNLQHHXWDFFX-GHTZIAJQSA-N 0 3 412.494 0.462 20 0 HCADHN Cn1cc(N2CC[C@H](NC(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)C2=O)cn1 ZINC000607414479 1074323409 /nfs/dbraw/zinc/32/34/09/1074323409.db2.gz AQKNLQHHXWDFFX-RXVVDRJESA-N 0 3 412.494 0.462 20 0 HCADHN Cn1cc(N2CC[C@@H](NC(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)C2=O)cn1 ZINC000607414483 1074323475 /nfs/dbraw/zinc/32/34/75/1074323475.db2.gz AQKNLQHHXWDFFX-WIYYLYMNSA-N 0 3 412.494 0.462 20 0 HCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000607426911 1074325659 /nfs/dbraw/zinc/32/56/59/1074325659.db2.gz 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CN(C(=O)c1ccc(NC(=O)CN2CCC(=O)NC2=O)cc1)[C@@H]1CCCN(C)C1 ZINC000607564881 1074337946 /nfs/dbraw/zinc/33/79/46/1074337946.db2.gz NHRYEFJIODULNJ-MRXNPFEDSA-N 0 3 401.467 0.733 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1)[C@H]1CCCN(C)C1 ZINC000607565070 1074337845 /nfs/dbraw/zinc/33/78/45/1074337845.db2.gz YGEQIPLKDKKOCI-KRWDZBQOSA-N 0 3 413.478 0.352 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1)[C@@H]1CCCN(C)C1 ZINC000607565071 1074337999 /nfs/dbraw/zinc/33/79/99/1074337999.db2.gz YGEQIPLKDKKOCI-QGZVFWFLSA-N 0 3 413.478 0.352 20 0 HCADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCCN(C)C3)c2)CC1 ZINC000607578517 1074333470 /nfs/dbraw/zinc/33/34/70/1074333470.db2.gz UHTBEFHMLXHCBM-GOSISDBHSA-N 0 3 422.551 0.706 20 0 HCADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCCN(C)C3)c2)CC1 ZINC000607578520 1074333176 /nfs/dbraw/zinc/33/31/76/1074333176.db2.gz UHTBEFHMLXHCBM-SFHVURJKSA-N 0 3 422.551 0.706 20 0 HCADHN COc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCOCC1 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/nfs/dbraw/zinc/38/12/01/1074381201.db2.gz CQZGMLVKCNSPEX-INIZCTEOSA-N 0 3 411.528 0.256 20 0 HCADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000608012232 1074381258 /nfs/dbraw/zinc/38/12/58/1074381258.db2.gz CQZGMLVKCNSPEX-MRXNPFEDSA-N 0 3 411.528 0.256 20 0 HCADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000608012232 1074381251 /nfs/dbraw/zinc/38/12/51/1074381251.db2.gz CQZGMLVKCNSPEX-MRXNPFEDSA-N 0 3 411.528 0.256 20 0 HCADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000608012232 1074381240 /nfs/dbraw/zinc/38/12/40/1074381240.db2.gz CQZGMLVKCNSPEX-MRXNPFEDSA-N 0 3 411.528 0.256 20 0 HCADHN CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCCN(C)C2)c[nH]1)[C@@H]1CCCN(C)C1 ZINC000608030277 1074384880 /nfs/dbraw/zinc/38/48/80/1074384880.db2.gz KIGFCAJZPKLADV-CVEARBPZSA-N 0 3 411.572 0.896 20 0 HCADHN CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCCN(C)C2)c[nH]1)[C@H]1CCCN(C)C1 ZINC000608030278 1074385072 /nfs/dbraw/zinc/38/50/72/1074385072.db2.gz KIGFCAJZPKLADV-HOTGVXAUSA-N 0 3 411.572 0.896 20 0 HCADHN CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCCN(C)C2)c[nH]1)[C@@H]1CCCN(C)C1 ZINC000608030279 1074384793 /nfs/dbraw/zinc/38/47/93/1074384793.db2.gz KIGFCAJZPKLADV-HZPDHXFCSA-N 0 3 411.572 0.896 20 0 HCADHN CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCCN(C)C2)c[nH]1)[C@H]1CCCN(C)C1 ZINC000608030280 1074384976 /nfs/dbraw/zinc/38/49/76/1074384976.db2.gz KIGFCAJZPKLADV-JKSUJKDBSA-N 0 3 411.572 0.896 20 0 HCADHN CCn1nc2c(cc1=O)CN(C/C=C/CN1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096038 1074393372 /nfs/dbraw/zinc/39/33/72/1074393372.db2.gz IIALASOCVPJCTK-AATRIKPKSA-N 0 3 410.522 0.812 20 0 HCADHN CCn1nc2c(cc1=O)CN(C/C=C\CN1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096039 1074393180 /nfs/dbraw/zinc/39/31/80/1074393180.db2.gz IIALASOCVPJCTK-WAYWQWQTSA-N 0 3 410.522 0.812 20 0 HCADHN CCn1nc2c(cc1=O)CN(CC(C)CN1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096330 1074393952 /nfs/dbraw/zinc/39/39/52/1074393952.db2.gz ULXJODMVBLZKCX-UHFFFAOYSA-N 0 3 412.538 0.892 20 0 HCADHN CCn1nc2c(cc1=O)CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000608096416 1074394142 /nfs/dbraw/zinc/39/41/42/1074394142.db2.gz CITMYHDVSADINW-UHFFFAOYSA-N 0 3 405.480 0.298 20 0 HCADHN CN1CCN(c2ccncc2NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000608117203 1074392154 /nfs/dbraw/zinc/39/21/54/1074392154.db2.gz UKBGSENYOHEGKZ-UHFFFAOYSA-N 0 3 417.491 0.345 20 0 HCADHN Cc1cc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000608269904 1074414220 /nfs/dbraw/zinc/41/42/20/1074414220.db2.gz BYGUWZFTRJDWNJ-GDBMZVCRSA-N 0 3 412.560 0.556 20 0 HCADHN Cc1cc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000608269905 1074414094 /nfs/dbraw/zinc/41/40/94/1074414094.db2.gz BYGUWZFTRJDWNJ-GOEBONIOSA-N 0 3 412.560 0.556 20 0 HCADHN Cc1cc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000608269906 1074414152 /nfs/dbraw/zinc/41/41/52/1074414152.db2.gz BYGUWZFTRJDWNJ-HOCLYGCPSA-N 0 3 412.560 0.556 20 0 HCADHN Cc1cc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000608269907 1074414280 /nfs/dbraw/zinc/41/42/80/1074414280.db2.gz BYGUWZFTRJDWNJ-ZBFHGGJFSA-N 0 3 412.560 0.556 20 0 HCADHN CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)cn2)CC1 ZINC000608304769 1074419592 /nfs/dbraw/zinc/41/95/92/1074419592.db2.gz MLCYLEPJWVWNIY-KRWDZBQOSA-N 0 3 420.539 0.641 20 0 HCADHN CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)cn2)CC1 ZINC000608304770 1074419636 /nfs/dbraw/zinc/41/96/36/1074419636.db2.gz MLCYLEPJWVWNIY-QGZVFWFLSA-N 0 3 420.539 0.641 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000608309874 1074422564 /nfs/dbraw/zinc/42/25/64/1074422564.db2.gz QDMTWPOFXGTIRA-UHFFFAOYSA-N 0 3 411.528 0.613 20 0 HCADHN CNS(=O)(=O)c1ccc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000608309938 1074421801 /nfs/dbraw/zinc/42/18/01/1074421801.db2.gz RGVICQCTJOGHSD-INIZCTEOSA-N 0 3 411.528 0.659 20 0 HCADHN CNS(=O)(=O)c1ccc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000608309939 1074421704 /nfs/dbraw/zinc/42/17/04/1074421704.db2.gz RGVICQCTJOGHSD-MRXNPFEDSA-N 0 3 411.528 0.659 20 0 HCADHN CNS(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000608311892 1074423121 /nfs/dbraw/zinc/42/31/21/1074423121.db2.gz UOOLRWOTDAWUEF-UHFFFAOYSA-N 0 3 409.512 0.367 20 0 HCADHN CCN1CCN(c2ccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 ZINC000608351579 1074424985 /nfs/dbraw/zinc/42/49/85/1074424985.db2.gz YOUFKEQGEHVKNE-UHFFFAOYSA-N 0 3 409.556 0.393 20 0 HCADHN CN(C)Cc1c2ccccc2oc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000608354941 1074424691 /nfs/dbraw/zinc/42/46/91/1074424691.db2.gz RRLPECAANVKHTJ-UHFFFAOYSA-N 0 3 408.524 0.801 20 0 HCADHN CCN1CCN(c2ccc(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000608354942 1074424822 /nfs/dbraw/zinc/42/48/22/1074424822.db2.gz RXYSBNXSJFQXAA-UHFFFAOYSA-N 0 3 423.583 0.136 20 0 HCADHN Cc1c(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000608358457 1074425619 /nfs/dbraw/zinc/42/56/19/1074425619.db2.gz UPYXLIKUTSODMD-HNNXBMFYSA-N 0 3 418.523 0.457 20 0 HCADHN Cc1c(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000608358464 1074425440 /nfs/dbraw/zinc/42/54/40/1074425440.db2.gz UPYXLIKUTSODMD-OAHLLOKOSA-N 0 3 418.523 0.457 20 0 HCADHN O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000608365328 1074426360 /nfs/dbraw/zinc/42/63/60/1074426360.db2.gz GNCYRVMIBTUJAV-FCHUYYIVSA-N 0 3 416.566 0.800 20 0 HCADHN O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000608365329 1074426461 /nfs/dbraw/zinc/42/64/61/1074426461.db2.gz GNCYRVMIBTUJAV-FGZHOGPDSA-N 0 3 416.566 0.800 20 0 HCADHN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000608365330 1074426574 /nfs/dbraw/zinc/42/65/74/1074426574.db2.gz GNCYRVMIBTUJAV-VXKWHMMOSA-N 0 3 416.566 0.800 20 0 HCADHN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000608365331 1074426280 /nfs/dbraw/zinc/42/62/80/1074426280.db2.gz GNCYRVMIBTUJAV-YADHBBJMSA-N 0 3 416.566 0.800 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000608380865 1074430661 /nfs/dbraw/zinc/43/06/61/1074430661.db2.gz VCFCYZDTRKEZOX-INIZCTEOSA-N 0 3 424.567 0.652 20 0 HCADHN C[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000608458057 1074444332 /nfs/dbraw/zinc/44/43/32/1074444332.db2.gz YWGIYSGAHVRUJT-INIZCTEOSA-N 0 3 424.567 0.411 20 0 HCADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000608458058 1074444475 /nfs/dbraw/zinc/44/44/75/1074444475.db2.gz YWGIYSGAHVRUJT-MRXNPFEDSA-N 0 3 424.567 0.411 20 0 HCADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000608479458 1074442941 /nfs/dbraw/zinc/44/29/41/1074442941.db2.gz MKTCCFOXKYBBJL-IBGZPJMESA-N 0 3 407.492 0.911 20 0 HCADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000608479459 1074443088 /nfs/dbraw/zinc/44/30/88/1074443088.db2.gz MKTCCFOXKYBBJL-LJQANCHMSA-N 0 3 407.492 0.911 20 0 HCADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@H]1CCCN(C)C1 ZINC000608515845 1074451438 /nfs/dbraw/zinc/45/14/38/1074451438.db2.gz MQORVZZUUWPYTO-INIZCTEOSA-N 0 3 403.527 0.986 20 0 HCADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000608515846 1074451170 /nfs/dbraw/zinc/45/11/70/1074451170.db2.gz MQORVZZUUWPYTO-MRXNPFEDSA-N 0 3 403.527 0.986 20 0 HCADHN CN1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000608515905 1074451528 /nfs/dbraw/zinc/45/15/28/1074451528.db2.gz XFAMQHHZKUXDKE-GOSISDBHSA-N 0 3 403.527 0.462 20 0 HCADHN CN1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CCCN(C)C3)cc2)CC1 ZINC000608515906 1074451787 /nfs/dbraw/zinc/45/17/87/1074451787.db2.gz XFAMQHHZKUXDKE-SFHVURJKSA-N 0 3 403.527 0.462 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000608516017 1074451230 /nfs/dbraw/zinc/45/12/30/1074451230.db2.gz XJYBJGQQRGABGJ-AWEZNQCLSA-N 0 3 403.483 0.346 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000608516018 1074451591 /nfs/dbraw/zinc/45/15/91/1074451591.db2.gz XJYBJGQQRGABGJ-CQSZACIVSA-N 0 3 403.483 0.346 20 0 HCADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H](N3CCCC3)C1)CC2 ZINC000608517929 1074460054 /nfs/dbraw/zinc/46/00/54/1074460054.db2.gz OESBANPZINLPIR-INIZCTEOSA-N 0 3 420.535 0.571 20 0 HCADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)CC2 ZINC000608517930 1074460094 /nfs/dbraw/zinc/46/00/94/1074460094.db2.gz OESBANPZINLPIR-MRXNPFEDSA-N 0 3 420.535 0.571 20 0 HCADHN Cc1nc2cc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc2n1C ZINC000608517966 1074460044 /nfs/dbraw/zinc/46/00/44/1074460044.db2.gz DHERAUNLCVWVSX-UHFFFAOYSA-N 0 3 412.494 0.587 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000608518111 1074459601 /nfs/dbraw/zinc/45/96/01/1074459601.db2.gz SMITXNTYJHFSHR-UHFFFAOYSA-N 0 3 414.510 0.833 20 0 HCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCCN(C(C)(C)C)CC1)CC2 ZINC000608518682 1074460813 /nfs/dbraw/zinc/46/08/13/1074460813.db2.gz QBJIWJTUXFBLTF-UHFFFAOYSA-N 0 3 422.551 0.817 20 0 HCADHN COc1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1-n1cnnn1 ZINC000608518690 1074460885 /nfs/dbraw/zinc/46/08/85/1074460885.db2.gz WMWGSCZIAXGULW-UHFFFAOYSA-N 0 3 401.471 0.942 20 0 HCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)CC2 ZINC000608518792 1074460824 /nfs/dbraw/zinc/46/08/24/1074460824.db2.gz KONYJOUVLGZIFA-HNNXBMFYSA-N 0 3 406.508 0.084 20 0 HCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)CC2 ZINC000608518793 1074460926 /nfs/dbraw/zinc/46/09/26/1074460926.db2.gz KONYJOUVLGZIFA-OAHLLOKOSA-N 0 3 406.508 0.084 20 0 HCADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)CC2 ZINC000608518881 1074460864 /nfs/dbraw/zinc/46/08/64/1074460864.db2.gz ZUEQBSPKDSMNHY-INIZCTEOSA-N 0 3 420.535 0.474 20 0 HCADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)CC2 ZINC000608518882 1074460910 /nfs/dbraw/zinc/46/09/10/1074460910.db2.gz ZUEQBSPKDSMNHY-MRXNPFEDSA-N 0 3 420.535 0.474 20 0 HCADHN Cc1cc(CNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)n[nH]1 ZINC000608521145 1074461665 /nfs/dbraw/zinc/46/16/65/1074461665.db2.gz MWAJEUZYQWOHGD-UHFFFAOYSA-N 0 3 400.483 0.599 20 0 HCADHN Cc1cc(CNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)[nH]n1 ZINC000608521145 1074461661 /nfs/dbraw/zinc/46/16/61/1074461661.db2.gz MWAJEUZYQWOHGD-UHFFFAOYSA-N 0 3 400.483 0.599 20 0 HCADHN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000608521244 1074461782 /nfs/dbraw/zinc/46/17/82/1074461782.db2.gz DPTVYAXISPLRHU-GOSISDBHSA-N 0 3 413.522 0.756 20 0 HCADHN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000608521245 1074461487 /nfs/dbraw/zinc/46/14/87/1074461487.db2.gz DPTVYAXISPLRHU-SFHVURJKSA-N 0 3 413.522 0.756 20 0 HCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000608526111 1074463734 /nfs/dbraw/zinc/46/37/34/1074463734.db2.gz BADCPLGZAOEHJI-UHFFFAOYSA-N 0 3 419.526 0.097 20 0 HCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000608526138 1074463628 /nfs/dbraw/zinc/46/36/28/1074463628.db2.gz VBHPNWJYVWGNAL-UHFFFAOYSA-N 0 3 405.455 0.108 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3nnnn3C3CC3)c(C)c2)CC1 ZINC000608543384 1074455885 /nfs/dbraw/zinc/45/58/85/1074455885.db2.gz SVKVVFSBDNEISZ-UHFFFAOYSA-N 0 3 412.498 0.713 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCc3nnnn3C3CC3)cc2)CC1 ZINC000608543390 1074456661 /nfs/dbraw/zinc/45/66/61/1074456661.db2.gz TZUWEFSJDCFKOK-UHFFFAOYSA-N 0 3 412.498 0.400 20 0 HCADHN O=C(NCc1nnnn1C1CC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000608543442 1074456710 /nfs/dbraw/zinc/45/67/10/1074456710.db2.gz XDSLATZLBYPNPD-UHFFFAOYSA-N 0 3 415.523 0.854 20 0 HCADHN Cc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000608590761 1074475722 /nfs/dbraw/zinc/47/57/22/1074475722.db2.gz HNXOONOSEQCLKE-UHFFFAOYSA-N 0 3 419.489 0.856 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000608625805 1074479935 /nfs/dbraw/zinc/47/99/35/1074479935.db2.gz HGRUIBLPGRCAJV-INIZCTEOSA-N 0 3 411.572 0.419 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000608625808 1074479985 /nfs/dbraw/zinc/47/99/85/1074479985.db2.gz HGRUIBLPGRCAJV-MRXNPFEDSA-N 0 3 411.572 0.419 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000608626059 1074479449 /nfs/dbraw/zinc/47/94/49/1074479449.db2.gz XEGOXVQCEWZJFP-GOSISDBHSA-N 0 3 412.556 0.988 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000608626060 1074479336 /nfs/dbraw/zinc/47/93/36/1074479336.db2.gz XEGOXVQCEWZJFP-SFHVURJKSA-N 0 3 412.556 0.988 20 0 HCADHN C[C@@H](CNC(=O)NCC1(NS(C)(=O)=O)CCCCC1)CN1CCN(C)CC1 ZINC000608628454 1074480048 /nfs/dbraw/zinc/48/00/48/1074480048.db2.gz LRRGDCOITYPKBF-INIZCTEOSA-N 0 3 403.593 0.421 20 0 HCADHN C[C@H](CNC(=O)NCC1(NS(C)(=O)=O)CCCCC1)CN1CCN(C)CC1 ZINC000608628458 1074480215 /nfs/dbraw/zinc/48/02/15/1074480215.db2.gz LRRGDCOITYPKBF-MRXNPFEDSA-N 0 3 403.593 0.421 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000608628710 1074480125 /nfs/dbraw/zinc/48/01/25/1074480125.db2.gz UPMUICZRNCDGLY-INIZCTEOSA-N 0 3 404.577 0.991 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000608628711 1074479802 /nfs/dbraw/zinc/47/98/02/1074479802.db2.gz UPMUICZRNCDGLY-MRXNPFEDSA-N 0 3 404.577 0.991 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000608628905 1074480849 /nfs/dbraw/zinc/48/08/49/1074480849.db2.gz ZWNRFMAVYBLOEE-KRWDZBQOSA-N 0 3 417.620 0.811 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000608628909 1074480774 /nfs/dbraw/zinc/48/07/74/1074480774.db2.gz ZWNRFMAVYBLOEE-QGZVFWFLSA-N 0 3 417.620 0.811 20 0 HCADHN C[C@@H](CNC(=O)NCCN1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000608637480 1074476976 /nfs/dbraw/zinc/47/69/76/1074476976.db2.gz QDAXIYINAKMIRH-FQEVSTJZSA-N 0 3 402.587 0.991 20 0 HCADHN C[C@H](CNC(=O)NCCN1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000608637481 1074476892 /nfs/dbraw/zinc/47/68/92/1074476892.db2.gz QDAXIYINAKMIRH-HXUWFJFHSA-N 0 3 402.587 0.991 20 0 HCADHN C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664414 1074481984 /nfs/dbraw/zinc/48/19/84/1074481984.db2.gz OJZMDWSQQCJWDH-DJIMGWMZSA-N 0 3 419.530 0.156 20 0 HCADHN C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664415 1074481892 /nfs/dbraw/zinc/48/18/92/1074481892.db2.gz OJZMDWSQQCJWDH-HYVNUMGLSA-N 0 3 419.530 0.156 20 0 HCADHN C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664416 1074481963 /nfs/dbraw/zinc/48/19/63/1074481963.db2.gz OJZMDWSQQCJWDH-OIISXLGYSA-N 0 3 419.530 0.156 20 0 HCADHN C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664417 1074482057 /nfs/dbraw/zinc/48/20/57/1074482057.db2.gz OJZMDWSQQCJWDH-PVAVHDDUSA-N 0 3 419.530 0.156 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000608679596 1074484073 /nfs/dbraw/zinc/48/40/73/1074484073.db2.gz GGPZCRGSKWLVFZ-MSOLQXFVSA-N 0 3 416.570 0.937 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000608679597 1074484158 /nfs/dbraw/zinc/48/41/58/1074484158.db2.gz GGPZCRGSKWLVFZ-QZTJIDSGSA-N 0 3 416.570 0.937 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000608679598 1074483897 /nfs/dbraw/zinc/48/38/97/1074483897.db2.gz GGPZCRGSKWLVFZ-ROUUACIJSA-N 0 3 416.570 0.937 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000608679599 1074484128 /nfs/dbraw/zinc/48/41/28/1074484128.db2.gz GGPZCRGSKWLVFZ-ZWKOTPCHSA-N 0 3 416.570 0.937 20 0 HCADHN C[C@@H](CNC(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000608679616 1074483970 /nfs/dbraw/zinc/48/39/70/1074483970.db2.gz SMDOHFVDLOAPSU-INIZCTEOSA-N 0 3 411.572 0.765 20 0 HCADHN C[C@H](CNC(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000608679621 1074484188 /nfs/dbraw/zinc/48/41/88/1074484188.db2.gz SMDOHFVDLOAPSU-MRXNPFEDSA-N 0 3 411.572 0.765 20 0 HCADHN C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)CN1CCN(C)CC1 ZINC000608680031 1074484697 /nfs/dbraw/zinc/48/46/97/1074484697.db2.gz RDRRAULFKPHFDA-DLBZAZTESA-N 0 3 402.543 0.547 20 0 HCADHN C[C@H](CNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)CN1CCN(C)CC1 ZINC000608680032 1074484799 /nfs/dbraw/zinc/48/47/99/1074484799.db2.gz RDRRAULFKPHFDA-IAGOWNOFSA-N 0 3 402.543 0.547 20 0 HCADHN C[C@@H](CNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)CN1CCN(C)CC1 ZINC000608680033 1074485039 /nfs/dbraw/zinc/48/50/39/1074485039.db2.gz RDRRAULFKPHFDA-IRXDYDNUSA-N 0 3 402.543 0.547 20 0 HCADHN C[C@H](CNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)CN1CCN(C)CC1 ZINC000608680034 1074485068 /nfs/dbraw/zinc/48/50/68/1074485068.db2.gz RDRRAULFKPHFDA-SJORKVTESA-N 0 3 402.543 0.547 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000608685953 1074486313 /nfs/dbraw/zinc/48/63/13/1074486313.db2.gz PQCNKDLFSDJROB-AWEZNQCLSA-N 0 3 402.492 0.725 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000608685954 1074486349 /nfs/dbraw/zinc/48/63/49/1074486349.db2.gz PQCNKDLFSDJROB-CQSZACIVSA-N 0 3 402.492 0.725 20 0 HCADHN C[C@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)CN1CCN(C)CC1 ZINC000608685983 1074486067 /nfs/dbraw/zinc/48/60/67/1074486067.db2.gz ACACXVRTFLYVDH-CYBMUJFWSA-N 0 3 401.508 0.156 20 0 HCADHN C[C@@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)CN1CCN(C)CC1 ZINC000608685991 1074486364 /nfs/dbraw/zinc/48/63/64/1074486364.db2.gz ACACXVRTFLYVDH-ZDUSSCGKSA-N 0 3 401.508 0.156 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000608686001 1074486277 /nfs/dbraw/zinc/48/62/77/1074486277.db2.gz QNQIKAARXDXKBN-AWEZNQCLSA-N 0 3 415.535 0.546 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000608686009 1074486253 /nfs/dbraw/zinc/48/62/53/1074486253.db2.gz QNQIKAARXDXKBN-CQSZACIVSA-N 0 3 415.535 0.546 20 0 HCADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CCCC[C@H]1CN1CCOCC1 ZINC000608687200 1074487066 /nfs/dbraw/zinc/48/70/66/1074487066.db2.gz BJILOXURDVQLJX-PMACEKPBSA-N 0 3 409.575 0.289 20 0 HCADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCCC[C@H]1CN1CCOCC1 ZINC000608687201 1074487323 /nfs/dbraw/zinc/48/73/23/1074487323.db2.gz BJILOXURDVQLJX-UXHICEINSA-N 0 3 409.575 0.289 20 0 HCADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000608687203 1074487194 /nfs/dbraw/zinc/48/71/94/1074487194.db2.gz BJILOXURDVQLJX-WOJBJXKFSA-N 0 3 409.575 0.289 20 0 HCADHN C[C@@H](CNC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1)CN1CCN(C)CC1 ZINC000608709069 1074490638 /nfs/dbraw/zinc/49/06/38/1074490638.db2.gz IUPZPNFJYPRJPW-AWEZNQCLSA-N 0 3 407.481 0.970 20 0 HCADHN C[C@H](CNC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1)CN1CCN(C)CC1 ZINC000608709074 1074490599 /nfs/dbraw/zinc/49/05/99/1074490599.db2.gz IUPZPNFJYPRJPW-CQSZACIVSA-N 0 3 407.481 0.970 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608709262 1074490194 /nfs/dbraw/zinc/49/01/94/1074490194.db2.gz NBGBRKAMDHIOTH-JFIYKMOQSA-N 0 3 405.547 0.487 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608709263 1074490516 /nfs/dbraw/zinc/49/05/16/1074490516.db2.gz NBGBRKAMDHIOTH-NUJGCVRESA-N 0 3 405.547 0.487 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608709264 1074490399 /nfs/dbraw/zinc/49/03/99/1074490399.db2.gz NBGBRKAMDHIOTH-RYRKJORJSA-N 0 3 405.547 0.487 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608709265 1074490258 /nfs/dbraw/zinc/49/02/58/1074490258.db2.gz NBGBRKAMDHIOTH-SOLBZPMBSA-N 0 3 405.547 0.487 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1 ZINC000608709268 1074490228 /nfs/dbraw/zinc/49/02/28/1074490228.db2.gz OAYZBGMMYOQQOX-GOSISDBHSA-N 0 3 404.559 0.766 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1 ZINC000608709269 1074490475 /nfs/dbraw/zinc/49/04/75/1074490475.db2.gz OAYZBGMMYOQQOX-SFHVURJKSA-N 0 3 404.559 0.766 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608732953 1074496165 /nfs/dbraw/zinc/49/61/65/1074496165.db2.gz HRQDIFSYNUUNGU-DOTOQJQBSA-N 0 3 419.530 0.110 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608732954 1074496098 /nfs/dbraw/zinc/49/60/98/1074496098.db2.gz HRQDIFSYNUUNGU-NVXWUHKLSA-N 0 3 419.530 0.110 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608732955 1074495919 /nfs/dbraw/zinc/49/59/19/1074495919.db2.gz HRQDIFSYNUUNGU-RDJZCZTQSA-N 0 3 419.530 0.110 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608732956 1074496066 /nfs/dbraw/zinc/49/60/66/1074496066.db2.gz HRQDIFSYNUUNGU-WBVHZDCISA-N 0 3 419.530 0.110 20 0 HCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734486 1074496657 /nfs/dbraw/zinc/49/66/57/1074496657.db2.gz PSIBTIJRNKEXID-CRAIPNDOSA-N 0 3 404.515 0.668 20 0 HCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734487 1074496828 /nfs/dbraw/zinc/49/68/28/1074496828.db2.gz PSIBTIJRNKEXID-MAUKXSAKSA-N 0 3 404.515 0.668 20 0 HCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734488 1074496631 /nfs/dbraw/zinc/49/66/31/1074496631.db2.gz PSIBTIJRNKEXID-QAPCUYQASA-N 0 3 404.515 0.668 20 0 HCADHN C[C@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734490 1074496707 /nfs/dbraw/zinc/49/67/07/1074496707.db2.gz PSIBTIJRNKEXID-YJBOKZPZSA-N 0 3 404.515 0.668 20 0 HCADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)N2CCN(C)CC2)cc1 ZINC000608776343 1074502907 /nfs/dbraw/zinc/50/29/07/1074502907.db2.gz UFNNOYMGDLMYTL-UHFFFAOYSA-N 0 3 418.542 0.267 20 0 HCADHN COC(=O)c1cccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1C ZINC000608798442 1074508087 /nfs/dbraw/zinc/50/80/87/1074508087.db2.gz IQEAYXDWWXIWPA-KRWDZBQOSA-N 0 3 418.494 0.779 20 0 HCADHN COC(=O)c1cccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000608798443 1074507995 /nfs/dbraw/zinc/50/79/95/1074507995.db2.gz IQEAYXDWWXIWPA-QGZVFWFLSA-N 0 3 418.494 0.779 20 0 HCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000608798592 1074508021 /nfs/dbraw/zinc/50/80/21/1074508021.db2.gz SIIJNXIQROIOGO-KRWDZBQOSA-N 0 3 418.494 0.779 20 0 HCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000608798593 1074508132 /nfs/dbraw/zinc/50/81/32/1074508132.db2.gz SIIJNXIQROIOGO-QGZVFWFLSA-N 0 3 418.494 0.779 20 0 HCADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000608799692 1074505602 /nfs/dbraw/zinc/50/56/02/1074505602.db2.gz AZQQOKGQVFBQAE-INIZCTEOSA-N 0 3 418.494 0.796 20 0 HCADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000608799693 1074505350 /nfs/dbraw/zinc/50/53/50/1074505350.db2.gz AZQQOKGQVFBQAE-MRXNPFEDSA-N 0 3 418.494 0.796 20 0 HCADHN COCCN(C)CCNC(=O)CNC(=O)c1ccccc1I ZINC000608891596 1074521219 /nfs/dbraw/zinc/52/12/19/1074521219.db2.gz XUHBSFZQQVUTIV-UHFFFAOYSA-N 0 3 419.263 0.715 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000608922212 1074522644 /nfs/dbraw/zinc/52/26/44/1074522644.db2.gz CZLOMIGJPRVSOU-KRWDZBQOSA-N 0 3 416.478 0.615 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000608922213 1074522531 /nfs/dbraw/zinc/52/25/31/1074522531.db2.gz CZLOMIGJPRVSOU-QGZVFWFLSA-N 0 3 416.478 0.615 20 0 HCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000608922488 1074522467 /nfs/dbraw/zinc/52/24/67/1074522467.db2.gz IHJWBXDYMRYUIJ-KRWDZBQOSA-N 0 3 416.478 0.154 20 0 HCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000608922489 1074522614 /nfs/dbraw/zinc/52/26/14/1074522614.db2.gz IHJWBXDYMRYUIJ-QGZVFWFLSA-N 0 3 416.478 0.154 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000608922677 1074522194 /nfs/dbraw/zinc/52/21/94/1074522194.db2.gz OMJXRIWVMNVDLR-INIZCTEOSA-N 0 3 402.451 0.225 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000608922681 1074522059 /nfs/dbraw/zinc/52/20/59/1074522059.db2.gz OMJXRIWVMNVDLR-MRXNPFEDSA-N 0 3 402.451 0.225 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000609052936 1074536316 /nfs/dbraw/zinc/53/63/16/1074536316.db2.gz QUKUOXKKADSHNW-UHFFFAOYSA-N 0 3 404.467 0.471 20 0 HCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000609053160 1074536362 /nfs/dbraw/zinc/53/63/62/1074536362.db2.gz WAUSKSQMCRIWMQ-UHFFFAOYSA-N 0 3 418.494 0.400 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000609214511 1077701833 /nfs/dbraw/zinc/70/18/33/1077701833.db2.gz CGXBHBDKDFZBEI-UHFFFAOYSA-N 0 3 405.499 0.739 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(CCC(=O)OC)cc2)CC1 ZINC000609225957 1077970089 /nfs/dbraw/zinc/97/00/89/1077970089.db2.gz UUAIQXFDQOTOCC-INIZCTEOSA-N 0 3 404.511 0.873 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(CCC(=O)OC)cc2)CC1 ZINC000609225958 1077969896 /nfs/dbraw/zinc/96/98/96/1077969896.db2.gz UUAIQXFDQOTOCC-MRXNPFEDSA-N 0 3 404.511 0.873 20 0 HCADHN CCN1CCN([C@H]2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2)CC1 ZINC000609289866 1078671878 /nfs/dbraw/zinc/67/18/78/1078671878.db2.gz BGDDHNLWWBYARF-FQEVSTJZSA-N 0 3 415.586 0.755 20 0 HCADHN CCN1CCN([C@@H]2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2)CC1 ZINC000609289870 1078671863 /nfs/dbraw/zinc/67/18/63/1078671863.db2.gz BGDDHNLWWBYARF-HXUWFJFHSA-N 0 3 415.586 0.755 20 0 HCADHN CCN1CCN([C@H]2CCN(C(=O)NCc3ccnc(N4CCOCC4)c3)C2)CC1 ZINC000609290121 1078671872 /nfs/dbraw/zinc/67/18/72/1078671872.db2.gz BJPLCVAMTUUZNY-IBGZPJMESA-N 0 3 402.543 0.840 20 0 HCADHN CCN1CCN([C@@H]2CCN(C(=O)NCc3ccnc(N4CCOCC4)c3)C2)CC1 ZINC000609290122 1078671927 /nfs/dbraw/zinc/67/19/27/1078671927.db2.gz BJPLCVAMTUUZNY-LJQANCHMSA-N 0 3 402.543 0.840 20 0 HCADHN CCCNC(=O)CN1CCC(NC(=O)N2CC[C@H](N3CCN(CC)CC3)C2)CC1 ZINC000609291139 1078669544 /nfs/dbraw/zinc/66/95/44/1078669544.db2.gz LWZBFCSJXZLSCU-IBGZPJMESA-N 0 3 408.591 0.398 20 0 HCADHN CCCNC(=O)CN1CCC(NC(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)CC1 ZINC000609291140 1078669613 /nfs/dbraw/zinc/66/96/13/1078669613.db2.gz LWZBFCSJXZLSCU-LJQANCHMSA-N 0 3 408.591 0.398 20 0 HCADHN CCN1CCN([C@H]2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)C2)CC1 ZINC000609292044 1078720120 /nfs/dbraw/zinc/72/01/20/1078720120.db2.gz JSGMUVIAIXFPHO-AZUAARDMSA-N 0 3 411.616 0.616 20 0 HCADHN CCN1CCN([C@H]2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)C2)CC1 ZINC000609292047 1078720039 /nfs/dbraw/zinc/72/00/39/1078720039.db2.gz JSGMUVIAIXFPHO-ICSRJNTNSA-N 0 3 411.616 0.616 20 0 HCADHN CCN1CCN([C@@H]2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)C2)CC1 ZINC000609292049 1078720132 /nfs/dbraw/zinc/72/01/32/1078720132.db2.gz JSGMUVIAIXFPHO-QUCCMNQESA-N 0 3 411.616 0.616 20 0 HCADHN CCN1CCN([C@@H]2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)C2)CC1 ZINC000609292050 1078720476 /nfs/dbraw/zinc/72/04/76/1078720476.db2.gz JSGMUVIAIXFPHO-UYAOXDASSA-N 0 3 411.616 0.616 20 0 HCADHN CCN1CCN([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)C2)CC1 ZINC000609310768 1079116718 /nfs/dbraw/zinc/11/67/18/1079116718.db2.gz MLBDOFMLFJHTGF-GOEBONIOSA-N 0 3 413.544 0.197 20 0 HCADHN CCN1CCN([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)C2)CC1 ZINC000609310771 1079116703 /nfs/dbraw/zinc/11/67/03/1079116703.db2.gz MLBDOFMLFJHTGF-HOCLYGCPSA-N 0 3 413.544 0.197 20 0 HCADHN CCOC(=O)C1CCN(S(=O)(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000609352891 1079248332 /nfs/dbraw/zinc/24/83/32/1079248332.db2.gz RMULABKDMQMWRR-UHFFFAOYSA-N 0 3 405.561 0.985 20 0 HCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000609405085 1079257987 /nfs/dbraw/zinc/25/79/87/1079257987.db2.gz JFMWMLJJHBKNHP-KRWDZBQOSA-N 0 3 416.478 0.057 20 0 HCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000609405092 1079257929 /nfs/dbraw/zinc/25/79/29/1079257929.db2.gz JFMWMLJJHBKNHP-QGZVFWFLSA-N 0 3 416.478 0.057 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000609405241 1079257718 /nfs/dbraw/zinc/25/77/18/1079257718.db2.gz SAMLRLGRPKFCMV-KRWDZBQOSA-N 0 3 416.478 0.519 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000609405242 1079257772 /nfs/dbraw/zinc/25/77/72/1079257772.db2.gz SAMLRLGRPKFCMV-QGZVFWFLSA-N 0 3 416.478 0.519 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000609405356 1079257850 /nfs/dbraw/zinc/25/78/50/1079257850.db2.gz ZLAXLNFIQHADJU-MRXNPFEDSA-N 0 3 402.451 0.128 20 0 HCADHN COC(=O)c1ccc(OCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000609422816 1079260629 /nfs/dbraw/zinc/26/06/29/1079260629.db2.gz PNORJGSCMKHCTM-UHFFFAOYSA-N 0 3 418.494 0.802 20 0 HCADHN CCOC(=O)CN(CC(N)=O)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000609447970 1079264268 /nfs/dbraw/zinc/26/42/68/1079264268.db2.gz XAJVHIROUXBANL-UHFFFAOYSA-N 0 3 414.466 0.054 20 0 HCADHN COC(=O)CN(CC(=O)OC)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000609448215 1079264170 /nfs/dbraw/zinc/26/41/70/1079264170.db2.gz YXTFZTCMELYGOZ-UHFFFAOYSA-N 0 3 415.450 0.352 20 0 HCADHN COC(=O)C[C@@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)OC ZINC000609514850 1079278555 /nfs/dbraw/zinc/27/85/55/1079278555.db2.gz MGYNLBFXNKGIFW-OAHLLOKOSA-N 0 3 415.450 0.398 20 0 HCADHN COC(=O)CNC(=O)CCN1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000609536837 1079286512 /nfs/dbraw/zinc/28/65/12/1079286512.db2.gz WVAVQDKTBGNNSH-UHFFFAOYSA-N 0 3 405.495 0.841 20 0 HCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN([C@H]3CCC[C@H]3O)CC2)c(OC)c1 ZINC000609572613 1078479849 /nfs/dbraw/zinc/47/98/49/1078479849.db2.gz JMRSITBNTJUURI-FGTMMUONSA-N 0 3 408.495 0.753 20 0 HCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c(OC)c1 ZINC000609572614 1078479927 /nfs/dbraw/zinc/47/99/27/1078479927.db2.gz JMRSITBNTJUURI-KURKYZTESA-N 0 3 408.495 0.753 20 0 HCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN([C@@H]3CCC[C@H]3O)CC2)c(OC)c1 ZINC000609572615 1078479969 /nfs/dbraw/zinc/47/99/69/1078479969.db2.gz JMRSITBNTJUURI-KZNAEPCWSA-N 0 3 408.495 0.753 20 0 HCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN([C@H]3CCC[C@@H]3O)CC2)c(OC)c1 ZINC000609572616 1078479949 /nfs/dbraw/zinc/47/99/49/1078479949.db2.gz JMRSITBNTJUURI-SQNIBIBYSA-N 0 3 408.495 0.753 20 0 HCADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000609597149 1078493894 /nfs/dbraw/zinc/49/38/94/1078493894.db2.gz GCDAGZPRYAOOJJ-UHFFFAOYSA-N 0 3 409.508 0.331 20 0 HCADHN COCCN(CC(=O)OC)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000609625482 1078496260 /nfs/dbraw/zinc/49/62/60/1078496260.db2.gz OIEHTVZCITZEEK-UHFFFAOYSA-N 0 3 401.467 0.825 20 0 HCADHN COC(=O)COc1cccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000609679428 1078513708 /nfs/dbraw/zinc/51/37/08/1078513708.db2.gz LSCYNVAROCCLBQ-UHFFFAOYSA-N 0 3 418.494 0.688 20 0 HCADHN CC1CCC(N2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000609681771 1078515004 /nfs/dbraw/zinc/51/50/04/1078515004.db2.gz YNCKGFRSBNUVMR-HWOWSKLDSA-N 0 3 400.545 0.196 20 0 HCADHN CC1CCC(N2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000609681772 1078514888 /nfs/dbraw/zinc/51/48/88/1078514888.db2.gz YNCKGFRSBNUVMR-PCKAHOCUSA-N 0 3 400.545 0.196 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cccc(OCC(=O)OC)c2)CC1 ZINC000609685805 1078517072 /nfs/dbraw/zinc/51/70/72/1078517072.db2.gz GTEBGLFJQWVDBZ-UHFFFAOYSA-N 0 3 420.510 0.934 20 0 HCADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000609730977 1078524531 /nfs/dbraw/zinc/52/45/31/1078524531.db2.gz HFJKXZGIECUKFQ-GOSISDBHSA-N 0 3 402.495 0.479 20 0 HCADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000609730979 1078524450 /nfs/dbraw/zinc/52/44/50/1078524450.db2.gz HFJKXZGIECUKFQ-SFHVURJKSA-N 0 3 402.495 0.479 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609811379 1078549546 /nfs/dbraw/zinc/54/95/46/1078549546.db2.gz AOGGJTVQDRVEIH-INIZCTEOSA-N 0 3 404.467 0.057 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609811381 1078549754 /nfs/dbraw/zinc/54/97/54/1078549754.db2.gz AOGGJTVQDRVEIH-MRXNPFEDSA-N 0 3 404.467 0.057 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 ZINC000609811552 1078549699 /nfs/dbraw/zinc/54/96/99/1078549699.db2.gz JFQMSANZZKOIDW-INIZCTEOSA-N 0 3 404.467 0.519 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 ZINC000609811553 1078549589 /nfs/dbraw/zinc/54/95/89/1078549589.db2.gz JFQMSANZZKOIDW-MRXNPFEDSA-N 0 3 404.467 0.519 20 0 HCADHN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NCCN(C)C)c1 ZINC000609811666 1078549633 /nfs/dbraw/zinc/54/96/33/1078549633.db2.gz NWTKVRFNHMURGP-INIZCTEOSA-N 0 3 404.467 0.471 20 0 HCADHN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NCCN(C)C)c1 ZINC000609811667 1078549763 /nfs/dbraw/zinc/54/97/63/1078549763.db2.gz NWTKVRFNHMURGP-MRXNPFEDSA-N 0 3 404.467 0.471 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 ZINC000609811967 1078550139 /nfs/dbraw/zinc/55/01/39/1078550139.db2.gz HTJPEUWYNOUCTC-KRWDZBQOSA-N 0 3 418.494 0.861 20 0 HCADHN CCN(C)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 ZINC000609811968 1078550188 /nfs/dbraw/zinc/55/01/88/1078550188.db2.gz HTJPEUWYNOUCTC-QGZVFWFLSA-N 0 3 418.494 0.861 20 0 HCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609812721 1078549726 /nfs/dbraw/zinc/54/97/26/1078549726.db2.gz GYUUTMYKGZYWLN-KRWDZBQOSA-N 0 3 418.494 0.447 20 0 HCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609812722 1078549779 /nfs/dbraw/zinc/54/97/79/1078549779.db2.gz GYUUTMYKGZYWLN-QGZVFWFLSA-N 0 3 418.494 0.447 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000609842681 1078555927 /nfs/dbraw/zinc/55/59/27/1078555927.db2.gz CKLGRYVYURSNSS-INIZCTEOSA-N 0 3 419.526 0.985 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000609842682 1078555981 /nfs/dbraw/zinc/55/59/81/1078555981.db2.gz CKLGRYVYURSNSS-MRXNPFEDSA-N 0 3 419.526 0.985 20 0 HCADHN COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000609848711 1078552431 /nfs/dbraw/zinc/55/24/31/1078552431.db2.gz SRBMVXSELJKYFB-HNNXBMFYSA-N 0 3 406.483 0.177 20 0 HCADHN COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000609848712 1078553037 /nfs/dbraw/zinc/55/30/37/1078553037.db2.gz SRBMVXSELJKYFB-OAHLLOKOSA-N 0 3 406.483 0.177 20 0 HCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(F)cc1F ZINC000609848757 1078552397 /nfs/dbraw/zinc/55/23/97/1078552397.db2.gz XZYXMNPZKSDBEG-GFCCVEGCSA-N 0 3 412.437 0.690 20 0 HCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(F)cc1F ZINC000609848758 1078552521 /nfs/dbraw/zinc/55/25/21/1078552521.db2.gz XZYXMNPZKSDBEG-LBPRGKRZSA-N 0 3 412.437 0.690 20 0 HCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)Cc2cccc(C(=O)OC)c2)CC1 ZINC000609897581 1078562835 /nfs/dbraw/zinc/56/28/35/1078562835.db2.gz JZPAJEUWCGNTEX-UHFFFAOYSA-N 0 3 411.524 0.789 20 0 HCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000609920330 1078566056 /nfs/dbraw/zinc/56/60/56/1078566056.db2.gz GHZSXENUGSAFIQ-DLBZAZTESA-N 0 3 412.531 0.540 20 0 HCADHN COC(=O)CCc1nnc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000609931599 1078567033 /nfs/dbraw/zinc/56/70/33/1078567033.db2.gz CBBHEVVCHWRHLQ-GFCCVEGCSA-N 0 3 412.516 0.708 20 0 HCADHN COC(=O)CCc1nnc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)s1 ZINC000609931600 1078566959 /nfs/dbraw/zinc/56/69/59/1078566959.db2.gz CBBHEVVCHWRHLQ-LBPRGKRZSA-N 0 3 412.516 0.708 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000609944008 1078578202 /nfs/dbraw/zinc/57/82/02/1078578202.db2.gz LHLNTRLHAJZVKZ-DEXQXJORSA-N 0 3 408.524 0.421 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000609944011 1078578185 /nfs/dbraw/zinc/57/81/85/1078578185.db2.gz LHLNTRLHAJZVKZ-WVDZOPJMSA-N 0 3 408.524 0.421 20 0 HCADHN C[S@@](=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000609945624 1078578565 /nfs/dbraw/zinc/57/85/65/1078578565.db2.gz VJMUIEXUVPFOCX-MUUNZHRXSA-N 0 3 406.508 0.129 20 0 HCADHN C[S@](=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000609945625 1078578731 /nfs/dbraw/zinc/57/87/31/1078578731.db2.gz VJMUIEXUVPFOCX-NDEPHWFRSA-N 0 3 406.508 0.129 20 0 HCADHN CCOC(=O)CCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000609951285 1078568879 /nfs/dbraw/zinc/56/88/79/1078568879.db2.gz WCCHDMMMABBWQX-UHFFFAOYSA-N 0 3 404.467 0.392 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)ccc2oc1=O ZINC000609951956 1078569856 /nfs/dbraw/zinc/56/98/56/1078569856.db2.gz LRIGXYUZULTXSY-UHFFFAOYSA-N 0 3 406.439 0.553 20 0 HCADHN COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000609954629 1078570846 /nfs/dbraw/zinc/57/08/46/1078570846.db2.gz YZGKECHMKXLBOK-CYBMUJFWSA-N 0 3 404.467 0.248 20 0 HCADHN COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000609954630 1078570822 /nfs/dbraw/zinc/57/08/22/1078570822.db2.gz YZGKECHMKXLBOK-ZDUSSCGKSA-N 0 3 404.467 0.248 20 0 HCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCN(CC)CC2)c1 ZINC000610028101 1078597907 /nfs/dbraw/zinc/59/79/07/1078597907.db2.gz NQHAYYJCWWFQSN-MRXNPFEDSA-N 0 3 404.511 0.873 20 0 HCADHN CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000610031818 1078600229 /nfs/dbraw/zinc/60/02/29/1078600229.db2.gz GMDRFIPYSGVXJI-GOSISDBHSA-N 0 3 410.496 0.325 20 0 HCADHN CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000610031820 1078600262 /nfs/dbraw/zinc/60/02/62/1078600262.db2.gz GMDRFIPYSGVXJI-SFHVURJKSA-N 0 3 410.496 0.325 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)CSC)cc2)CC1 ZINC000610032268 1078602283 /nfs/dbraw/zinc/60/22/83/1078602283.db2.gz WMPNDLUUHXSSHF-FQEVSTJZSA-N 0 3 408.568 0.993 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)CSC)cc2)CC1 ZINC000610032270 1078602337 /nfs/dbraw/zinc/60/23/37/1078602337.db2.gz WMPNDLUUHXSSHF-HXUWFJFHSA-N 0 3 408.568 0.993 20 0 HCADHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)ccc1OC ZINC000610085075 1078619871 /nfs/dbraw/zinc/61/98/71/1078619871.db2.gz YFUBDOQKEFROTQ-CYBMUJFWSA-N 0 3 413.496 0.348 20 0 HCADHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)ccc1OC ZINC000610085079 1078619714 /nfs/dbraw/zinc/61/97/14/1078619714.db2.gz YFUBDOQKEFROTQ-ZDUSSCGKSA-N 0 3 413.496 0.348 20 0 HCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000610103048 1078629419 /nfs/dbraw/zinc/62/94/19/1078629419.db2.gz MRRWXJVRJFLGKE-INIZCTEOSA-N 0 3 404.511 0.730 20 0 HCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000610103049 1078629137 /nfs/dbraw/zinc/62/91/37/1078629137.db2.gz MRRWXJVRJFLGKE-MRXNPFEDSA-N 0 3 404.511 0.730 20 0 HCADHN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)CC1 ZINC000610103115 1078629886 /nfs/dbraw/zinc/62/98/86/1078629886.db2.gz RRHDDUYTRBMNJK-UHFFFAOYSA-N 0 3 418.494 0.718 20 0 HCADHN COC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000610103149 1078629800 /nfs/dbraw/zinc/62/98/00/1078629800.db2.gz VFMAYSUFXRQDDU-HNNXBMFYSA-N 0 3 406.483 0.177 20 0 HCADHN COC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000610103150 1078629867 /nfs/dbraw/zinc/62/98/67/1078629867.db2.gz VFMAYSUFXRQDDU-OAHLLOKOSA-N 0 3 406.483 0.177 20 0 HCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000610114307 1078625317 /nfs/dbraw/zinc/62/53/17/1078625317.db2.gz FCOVWIVAIGLFKO-UHFFFAOYSA-N 0 3 405.543 0.936 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000610115974 1078625756 /nfs/dbraw/zinc/62/57/56/1078625756.db2.gz SIEUIVFSDFYLGZ-INIZCTEOSA-N 0 3 419.526 0.985 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000610115975 1078626038 /nfs/dbraw/zinc/62/60/38/1078626038.db2.gz SIEUIVFSDFYLGZ-MRXNPFEDSA-N 0 3 419.526 0.985 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000610144659 1078631682 /nfs/dbraw/zinc/63/16/82/1078631682.db2.gz PPNURXQZUNMVAN-AEFFLSMTSA-N 0 3 422.551 0.596 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000610144660 1078631828 /nfs/dbraw/zinc/63/18/28/1078631828.db2.gz PPNURXQZUNMVAN-FUHWJXTLSA-N 0 3 422.551 0.596 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000610144661 1078631654 /nfs/dbraw/zinc/63/16/54/1078631654.db2.gz PPNURXQZUNMVAN-SJLPKXTDSA-N 0 3 422.551 0.596 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000610144662 1078631490 /nfs/dbraw/zinc/63/14/90/1078631490.db2.gz PPNURXQZUNMVAN-WMZOPIPTSA-N 0 3 422.551 0.596 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(c2ncc(I)cn2)CC1 ZINC000613282439 1077275998 /nfs/dbraw/zinc/27/59/98/1077275998.db2.gz ZRDGHGSNPSLWRN-GFCCVEGCSA-N 0 3 401.252 1.000 20 0 HCADHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000615157295 1078699532 /nfs/dbraw/zinc/69/95/32/1078699532.db2.gz GJOCNRXTHLYKRP-GOSISDBHSA-N 0 3 410.496 0.514 20 0 HCADHN O=C(NCCN1CCCCC1)c1cc(S(=O)(=O)NCCN2CCCCC2)c[nH]1 ZINC000615226297 1078181048 /nfs/dbraw/zinc/18/10/48/1078181048.db2.gz HFYMCQGUOMRUPU-UHFFFAOYSA-N 0 3 411.572 0.995 20 0 HCADHN COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000615308267 1078653200 /nfs/dbraw/zinc/65/32/00/1078653200.db2.gz OVXGYAXMEUOTSW-UHFFFAOYSA-N 0 3 406.483 0.516 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000615313458 1078655933 /nfs/dbraw/zinc/65/59/33/1078655933.db2.gz QEZMZXQJDIIUHT-HNNXBMFYSA-N 0 3 404.467 0.519 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000615313464 1078655788 /nfs/dbraw/zinc/65/57/88/1078655788.db2.gz QEZMZXQJDIIUHT-OAHLLOKOSA-N 0 3 404.467 0.519 20 0 HCADHN CC1CCN(CCNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC000615672015 1078683152 /nfs/dbraw/zinc/68/31/52/1078683152.db2.gz DZUKBDMJJBPMRR-UHFFFAOYSA-N 0 3 407.559 0.864 20 0 HCADHN CCN1CCN(CC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C(=O)C1=O ZINC000615707195 1078686009 /nfs/dbraw/zinc/68/60/09/1078686009.db2.gz MEDPESHIRUPENI-IBGZPJMESA-N 0 3 415.538 0.172 20 0 HCADHN O=C(CN1CCCS1(=O)=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000615757644 1078689224 /nfs/dbraw/zinc/68/92/24/1078689224.db2.gz MXUUCHVZQCOOKK-UHFFFAOYSA-N 0 3 408.568 0.736 20 0 HCADHN Cn1ncc2c1ncn(CC(=O)NCCCCN1CCN(c3ccccc3)CC1)c2=O ZINC000615812411 1078696712 /nfs/dbraw/zinc/69/67/12/1078696712.db2.gz GTCHJBXJLBMYBP-UHFFFAOYSA-N 0 3 423.521 0.849 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000615870128 1078702366 /nfs/dbraw/zinc/70/23/66/1078702366.db2.gz KFTRAALWIPDOEE-UHFFFAOYSA-N 0 3 423.583 0.356 20 0 HCADHN COC(=O)[C@@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)c1ccn(C)n1 ZINC000615903337 1078702570 /nfs/dbraw/zinc/70/25/70/1078702570.db2.gz SFKSNNUWQLUEAL-IBGZPJMESA-N 0 3 423.477 0.941 20 0 HCADHN COC(=O)[C@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)c1ccn(C)n1 ZINC000615903343 1078702613 /nfs/dbraw/zinc/70/26/13/1078702613.db2.gz SFKSNNUWQLUEAL-LJQANCHMSA-N 0 3 423.477 0.941 20 0 HCADHN CC(C)[C@H](CNC(=O)NCCN1CCN(c2ncccn2)CC1)N1CCN(C)CC1 ZINC000616059454 1078715075 /nfs/dbraw/zinc/71/50/75/1078715075.db2.gz KFMGBYXFKQACHN-IBGZPJMESA-N 0 3 418.590 0.170 20 0 HCADHN CC(C)[C@@H](CNC(=O)NCCN1CCN(c2ncccn2)CC1)N1CCN(C)CC1 ZINC000616059455 1078714910 /nfs/dbraw/zinc/71/49/10/1078714910.db2.gz KFMGBYXFKQACHN-LJQANCHMSA-N 0 3 418.590 0.170 20 0 HCADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)NCCS(=O)(=O)NC1CC1 ZINC000616099598 1078719180 /nfs/dbraw/zinc/71/91/80/1078719180.db2.gz CIMLQRCNRBBCDD-UHFFFAOYSA-N 0 3 423.583 0.970 20 0 HCADHN CS(=O)(=O)N1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000616140555 1078722696 /nfs/dbraw/zinc/72/26/96/1078722696.db2.gz XWGGADBTQLFBSL-UHFFFAOYSA-N 0 3 423.583 0.876 20 0 HCADHN CC(C)(CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)N1CCCCC1 ZINC000616212332 1078729262 /nfs/dbraw/zinc/72/92/62/1078729262.db2.gz JDBAXAKHLIQYKC-UHFFFAOYSA-N 0 3 402.499 0.337 20 0 HCADHN CC(C)(C)NC(=O)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000616263684 1078734238 /nfs/dbraw/zinc/73/42/38/1078734238.db2.gz UYHLVQRRWOPRLO-UHFFFAOYSA-N 0 3 417.510 0.353 20 0 HCADHN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCN3CCCCC3)cc2)CC1 ZINC000616278840 1078732888 /nfs/dbraw/zinc/73/28/88/1078732888.db2.gz RBYZMCHSPBOHMX-UHFFFAOYSA-N 0 3 415.538 0.544 20 0 HCADHN CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCC2)c2ccccc2O1 ZINC000616363685 1078743768 /nfs/dbraw/zinc/74/37/68/1078743768.db2.gz FNIMINJQNIHHLO-MAUKXSAKSA-N 0 3 402.495 0.907 20 0 HCADHN Cc1nn(C)c2ncc(NC(=O)C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)cc12 ZINC000616367639 1078744274 /nfs/dbraw/zinc/74/42/74/1078744274.db2.gz CDZXNIGOUODUAD-GOSISDBHSA-N 0 3 422.489 0.751 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000616368128 1078744236 /nfs/dbraw/zinc/74/42/36/1078744236.db2.gz MTJLXTXXUKCREB-INIZCTEOSA-N 0 3 419.526 0.234 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000616368129 1078744295 /nfs/dbraw/zinc/74/42/95/1078744295.db2.gz MTJLXTXXUKCREB-MRXNPFEDSA-N 0 3 419.526 0.234 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)N1CCCC[C@H]1C ZINC000616371206 1078744185 /nfs/dbraw/zinc/74/41/85/1078744185.db2.gz YNWBNVMLQIZPHN-CABCVRRESA-N 0 3 402.499 0.335 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)N1CCCC[C@@H]1C ZINC000616371207 1078744325 /nfs/dbraw/zinc/74/43/25/1078744325.db2.gz YNWBNVMLQIZPHN-GJZGRUSLSA-N 0 3 402.499 0.335 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c2ccccc2O1 ZINC000616372008 1078744208 /nfs/dbraw/zinc/74/42/08/1078744208.db2.gz IZTGTGPINGASJZ-DAYGRLMNSA-N 0 3 402.495 0.763 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c2ccccc2O1 ZINC000616372076 1078744147 /nfs/dbraw/zinc/74/41/47/1078744147.db2.gz IZTGTGPINGASJZ-RKVPGOIHSA-N 0 3 402.495 0.763 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c2ccccc2O1 ZINC000616372077 1078744256 /nfs/dbraw/zinc/74/42/56/1078744256.db2.gz IZTGTGPINGASJZ-VKJFTORMSA-N 0 3 402.495 0.763 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)N1CCC[C@@H](C)C1 ZINC000616372379 1078744790 /nfs/dbraw/zinc/74/47/90/1078744790.db2.gz RGURMVSECNYFJO-HUUCEWRRSA-N 0 3 402.499 0.193 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CC1 ZINC000616374578 1078744657 /nfs/dbraw/zinc/74/46/57/1078744657.db2.gz FOHCHUJYLXDAJT-UHFFFAOYSA-N 0 3 403.527 0.907 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CC1 ZINC000616374612 1078744689 /nfs/dbraw/zinc/74/46/89/1078744689.db2.gz GYVDAAIPLZYLJZ-UHFFFAOYSA-N 0 3 409.918 0.782 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 ZINC000616374749 1078744725 /nfs/dbraw/zinc/74/47/25/1078744725.db2.gz SQLNDEOFLJBGTR-UHFFFAOYSA-N 0 3 421.929 0.924 20 0 HCADHN C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000616378754 1078745275 /nfs/dbraw/zinc/74/52/75/1078745275.db2.gz QAMBVXAIEITFLG-HNNXBMFYSA-N 0 3 412.494 0.724 20 0 HCADHN C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000616378755 1078745369 /nfs/dbraw/zinc/74/53/69/1078745369.db2.gz QAMBVXAIEITFLG-OAHLLOKOSA-N 0 3 412.494 0.724 20 0 HCADHN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@H](C)N(C)C ZINC000616425059 1078749992 /nfs/dbraw/zinc/74/99/92/1078749992.db2.gz MCZLKILGDZYZDF-AWEZNQCLSA-N 0 3 410.540 0.673 20 0 HCADHN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@@H](C)N(C)C ZINC000616425060 1078749915 /nfs/dbraw/zinc/74/99/15/1078749915.db2.gz MCZLKILGDZYZDF-CQSZACIVSA-N 0 3 410.540 0.673 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)N(C)C ZINC000616425098 1078750035 /nfs/dbraw/zinc/75/00/35/1078750035.db2.gz NRJAIBYYRDWPRE-HNNXBMFYSA-N 0 3 422.551 0.817 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)N(C)C ZINC000616425100 1078749951 /nfs/dbraw/zinc/74/99/51/1078749951.db2.gz NRJAIBYYRDWPRE-OAHLLOKOSA-N 0 3 422.551 0.817 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)N(C)C ZINC000616425327 1078749970 /nfs/dbraw/zinc/74/99/70/1078749970.db2.gz VHCIUJBLCOKKDJ-CRAIPNDOSA-N 0 3 402.495 0.859 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)N(C)C ZINC000616425328 1078749936 /nfs/dbraw/zinc/74/99/36/1078749936.db2.gz VHCIUJBLCOKKDJ-MAUKXSAKSA-N 0 3 402.495 0.859 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)N(C)C ZINC000616425329 1078750087 /nfs/dbraw/zinc/75/00/87/1078750087.db2.gz VHCIUJBLCOKKDJ-QAPCUYQASA-N 0 3 402.495 0.859 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)N(C)C ZINC000616425330 1078750052 /nfs/dbraw/zinc/75/00/52/1078750052.db2.gz VHCIUJBLCOKKDJ-YJBOKZPZSA-N 0 3 402.495 0.859 20 0 HCADHN COCC(=O)NC1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 ZINC000616473516 1078752386 /nfs/dbraw/zinc/75/23/86/1078752386.db2.gz IFDFRZMTEXRATH-UHFFFAOYSA-N 0 3 406.483 0.449 20 0 HCADHN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000616512625 1078757370 /nfs/dbraw/zinc/75/73/70/1078757370.db2.gz BUZOFOWAXQFIBC-UHFFFAOYSA-N 0 3 403.527 0.825 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000616607977 1078761544 /nfs/dbraw/zinc/76/15/44/1078761544.db2.gz HNHSGBMZMHHFSZ-GOSISDBHSA-N 0 3 422.551 0.408 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000616607984 1078761402 /nfs/dbraw/zinc/76/14/02/1078761402.db2.gz HNHSGBMZMHHFSZ-SFHVURJKSA-N 0 3 422.551 0.408 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(C)=O)CC3)c(C)c2)CC1 ZINC000616641191 1078762180 /nfs/dbraw/zinc/76/21/80/1078762180.db2.gz JFFIUAMVXFEBIH-UHFFFAOYSA-N 0 3 401.511 0.766 20 0 HCADHN CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000616651340 1078762152 /nfs/dbraw/zinc/76/21/52/1078762152.db2.gz GIIPRLRHVOFQJJ-UHFFFAOYSA-N 0 3 415.494 0.013 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000616703268 1078766113 /nfs/dbraw/zinc/76/61/13/1078766113.db2.gz GDHMFBMWMPFYMW-UHFFFAOYSA-N 0 3 401.511 0.487 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)c(C)c2)CC1 ZINC000616703309 1078765960 /nfs/dbraw/zinc/76/59/60/1078765960.db2.gz HOWLHUSMPNFFLV-UHFFFAOYSA-N 0 3 401.511 0.799 20 0 HCADHN CCN1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000616721043 1078763161 /nfs/dbraw/zinc/76/31/61/1078763161.db2.gz ZAVIERMAVHHDHH-UHFFFAOYSA-N 0 3 401.511 0.487 20 0 HCADHN CCCCN(CCO)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000616736047 1078767552 /nfs/dbraw/zinc/76/75/52/1078767552.db2.gz UMPVECPHXYYGFB-UHFFFAOYSA-N 0 3 404.511 0.943 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000616778805 1078770216 /nfs/dbraw/zinc/77/02/16/1078770216.db2.gz QNUSJVSDSJZWPN-SFHVURJKSA-N 0 3 418.494 0.545 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000616840035 1078777907 /nfs/dbraw/zinc/77/79/07/1078777907.db2.gz YRONIPULPKNNKP-UHFFFAOYSA-N 0 3 419.526 0.364 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc2)CC1 ZINC000616864139 1078782755 /nfs/dbraw/zinc/78/27/55/1078782755.db2.gz LWVPJFPXFUFLDR-UHFFFAOYSA-N 0 3 403.527 0.746 20 0 HCADHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000616875892 1078781213 /nfs/dbraw/zinc/78/12/13/1078781213.db2.gz IDQOACYKIKARTP-UHFFFAOYSA-N 0 3 424.505 0.547 20 0 HCADHN COC1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000616947517 1078793972 /nfs/dbraw/zinc/79/39/72/1078793972.db2.gz QLADYTDGNQZLRR-UHFFFAOYSA-N 0 3 402.495 0.960 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(C(=O)NC)CC3)cc2)CC1 ZINC000616955611 1078791121 /nfs/dbraw/zinc/79/11/21/1078791121.db2.gz MZDQZOACXCMNJF-UHFFFAOYSA-N 0 3 415.538 0.747 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000616975580 1078797660 /nfs/dbraw/zinc/79/76/60/1078797660.db2.gz GQLCDKTVWJCLOA-UHFFFAOYSA-N 0 3 412.512 0.236 20 0 HCADHN COc1ccc(CC(=O)N[C@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000617411552 1078812559 /nfs/dbraw/zinc/81/25/59/1078812559.db2.gz NRGDLMLTHKKDNE-INIZCTEOSA-N 0 3 411.524 0.469 20 0 HCADHN COc1ccc(CC(=O)N[C@@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000617411553 1078812502 /nfs/dbraw/zinc/81/25/02/1078812502.db2.gz NRGDLMLTHKKDNE-MRXNPFEDSA-N 0 3 411.524 0.469 20 0 HCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CCCN(C)C2)c1 ZINC000617412299 1078812471 /nfs/dbraw/zinc/81/24/71/1078812471.db2.gz GPCQLFZMNIOGFL-INIZCTEOSA-N 0 3 410.540 0.657 20 0 HCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000617412300 1078812397 /nfs/dbraw/zinc/81/23/97/1078812397.db2.gz GPCQLFZMNIOGFL-MRXNPFEDSA-N 0 3 410.540 0.657 20 0 HCADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000617413090 1078812427 /nfs/dbraw/zinc/81/24/27/1078812427.db2.gz BJSCBIJSZZVMMT-INIZCTEOSA-N 0 3 410.540 0.657 20 0 HCADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000617413091 1078812537 /nfs/dbraw/zinc/81/25/37/1078812537.db2.gz BJSCBIJSZZVMMT-MRXNPFEDSA-N 0 3 410.540 0.657 20 0 HCADHN CN1CCC[C@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000617413535 1078812548 /nfs/dbraw/zinc/81/25/48/1078812548.db2.gz MUGDDPJXCWLYDH-KRWDZBQOSA-N 0 3 422.551 0.510 20 0 HCADHN CN1CCC[C@@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000617413536 1078812569 /nfs/dbraw/zinc/81/25/69/1078812569.db2.gz MUGDDPJXCWLYDH-QGZVFWFLSA-N 0 3 422.551 0.510 20 0 HCADHN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H]1CCCN(C)C1)n2C ZINC000617413974 1078812481 /nfs/dbraw/zinc/81/24/81/1078812481.db2.gz WZYNTHPMBHVRDY-AWEZNQCLSA-N 0 3 407.540 0.967 20 0 HCADHN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H]1CCCN(C)C1)n2C ZINC000617413975 1078812572 /nfs/dbraw/zinc/81/25/72/1078812572.db2.gz WZYNTHPMBHVRDY-CQSZACIVSA-N 0 3 407.540 0.967 20 0 HCADHN COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 ZINC000617502927 1078818926 /nfs/dbraw/zinc/81/89/26/1078818926.db2.gz NPCPAMRPIZICPA-UHFFFAOYSA-N 0 3 420.510 0.697 20 0 HCADHN CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000617596663 1078827547 /nfs/dbraw/zinc/82/75/47/1078827547.db2.gz MLTUTNURWWOPSC-UHFFFAOYSA-N 0 3 403.527 0.699 20 0 HCADHN CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000617596844 1078827530 /nfs/dbraw/zinc/82/75/30/1078827530.db2.gz QGXDKTDBYZUWET-UHFFFAOYSA-N 0 3 417.510 0.259 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000617613071 1078830328 /nfs/dbraw/zinc/83/03/28/1078830328.db2.gz DEOPURXXRUVALJ-AWEZNQCLSA-N 0 3 412.512 0.236 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000617613072 1078830302 /nfs/dbraw/zinc/83/03/02/1078830302.db2.gz DEOPURXXRUVALJ-CQSZACIVSA-N 0 3 412.512 0.236 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000617915803 1078847763 /nfs/dbraw/zinc/84/77/63/1078847763.db2.gz YORLRCUHQXFTCB-AWEZNQCLSA-N 0 3 412.512 0.932 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000617915804 1078847689 /nfs/dbraw/zinc/84/76/89/1078847689.db2.gz YORLRCUHQXFTCB-CQSZACIVSA-N 0 3 412.512 0.932 20 0 HCADHN O=C(CC[C@H]1NC(=O)NC1=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000618150760 1078856365 /nfs/dbraw/zinc/85/63/65/1078856365.db2.gz WBKDKIOJVDRBTR-GOSISDBHSA-N 0 3 401.511 0.689 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000618383388 1078859794 /nfs/dbraw/zinc/85/97/94/1078859794.db2.gz AUWFXCOEKFODMF-UHFFFAOYSA-N 0 3 400.545 0.706 20 0 HCADHN CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000618395093 1078859522 /nfs/dbraw/zinc/85/95/22/1078859522.db2.gz UMHDALITISVOLR-IBGZPJMESA-N 0 3 408.568 0.864 20 0 HCADHN CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000618395094 1078859539 /nfs/dbraw/zinc/85/95/39/1078859539.db2.gz UMHDALITISVOLR-LJQANCHMSA-N 0 3 408.568 0.864 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000618400555 1078859897 /nfs/dbraw/zinc/85/98/97/1078859897.db2.gz TXRYEPZCWWQHOJ-KRWDZBQOSA-N 0 3 410.584 0.782 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000618400556 1078859866 /nfs/dbraw/zinc/85/98/66/1078859866.db2.gz TXRYEPZCWWQHOJ-QGZVFWFLSA-N 0 3 410.584 0.782 20 0 HCADHN CCOC1CCN(CC(=O)N2CCN(C(=O)CN3CCC(OCC)CC3)CC2)CC1 ZINC000618445043 1078860566 /nfs/dbraw/zinc/86/05/66/1078860566.db2.gz ZFOAQIWDVBCQKR-UHFFFAOYSA-N 0 3 424.586 0.659 20 0 HCADHN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000618535872 1078864467 /nfs/dbraw/zinc/86/44/67/1078864467.db2.gz RVNRGBSKBSNLSB-KRWDZBQOSA-N 0 3 420.539 0.753 20 0 HCADHN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000618535876 1078864448 /nfs/dbraw/zinc/86/44/48/1078864448.db2.gz RVNRGBSKBSNLSB-QGZVFWFLSA-N 0 3 420.539 0.753 20 0 HCADHN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC(CN3CCOCC3)CC2)cc1 ZINC000618538047 1078864487 /nfs/dbraw/zinc/86/44/87/1078864487.db2.gz IBRPISMIVZBOOH-UHFFFAOYSA-N 0 3 420.539 0.610 20 0 HCADHN CN1CCC[C@@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000618548374 1078864139 /nfs/dbraw/zinc/86/41/39/1078864139.db2.gz BHQCYXOEEGWJIW-GOSISDBHSA-N 0 3 410.540 0.742 20 0 HCADHN CN1CCC[C@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000618548375 1078864089 /nfs/dbraw/zinc/86/40/89/1078864089.db2.gz BHQCYXOEEGWJIW-SFHVURJKSA-N 0 3 410.540 0.742 20 0 HCADHN CN(CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)Cc1ccccc1 ZINC000618687486 1078868223 /nfs/dbraw/zinc/86/82/23/1078868223.db2.gz JXRXUWRSFNMJJW-UHFFFAOYSA-N 0 3 420.535 0.908 20 0 HCADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000618930712 1078877933 /nfs/dbraw/zinc/87/79/33/1078877933.db2.gz YMNCEAFBJRRBRQ-FUHWJXTLSA-N 0 3 409.556 0.956 20 0 HCADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000618930717 1078878071 /nfs/dbraw/zinc/87/80/71/1078878071.db2.gz YMNCEAFBJRRBRQ-SJLPKXTDSA-N 0 3 409.556 0.956 20 0 HCADHN CN1CCN(c2ccncc2NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000619176802 1078888036 /nfs/dbraw/zinc/88/80/36/1078888036.db2.gz NKAIBFHLZZEOOO-UHFFFAOYSA-N 0 3 409.450 0.031 20 0 HCADHN CN(CC(=O)Nc1cnccc1N1CCN(C)CC1)S(=O)(=O)c1cccnc1 ZINC000619180091 1078888104 /nfs/dbraw/zinc/88/81/04/1078888104.db2.gz DPCNLBJYGHDKQD-UHFFFAOYSA-N 0 3 404.496 0.488 20 0 HCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCC4=O)c3)C2)CC1 ZINC000619221979 1078889468 /nfs/dbraw/zinc/88/94/68/1078889468.db2.gz YUZBKIIYHPZCIZ-IBGZPJMESA-N 0 3 413.522 0.989 20 0 HCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCC4=O)c3)C2)CC1 ZINC000619221980 1078889553 /nfs/dbraw/zinc/88/95/53/1078889553.db2.gz YUZBKIIYHPZCIZ-LJQANCHMSA-N 0 3 413.522 0.989 20 0 HCADHN CCOC(=O)c1ncn(C2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)c1N ZINC000619250276 1078892644 /nfs/dbraw/zinc/89/26/44/1078892644.db2.gz JQBQFHKVOXNQOW-AWEZNQCLSA-N 0 3 420.514 0.216 20 0 HCADHN CCOC(=O)c1ncn(C2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)c1N ZINC000619250277 1078892549 /nfs/dbraw/zinc/89/25/49/1078892549.db2.gz JQBQFHKVOXNQOW-CQSZACIVSA-N 0 3 420.514 0.216 20 0 HCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1OC ZINC000619519197 1078910074 /nfs/dbraw/zinc/91/00/74/1078910074.db2.gz CHWNGSUUHLKTRE-UHFFFAOYSA-N 0 3 406.483 0.564 20 0 HCADHN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000619524417 1078908161 /nfs/dbraw/zinc/90/81/61/1078908161.db2.gz DOFXBWPLFWTJBB-UHFFFAOYSA-N 0 3 401.423 0.801 20 0 HCADHN COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000619684494 1078926022 /nfs/dbraw/zinc/92/60/22/1078926022.db2.gz IVUMBSXTZLHQNL-UHFFFAOYSA-N 0 3 406.483 0.563 20 0 HCADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000619734955 1078929065 /nfs/dbraw/zinc/92/90/65/1078929065.db2.gz RSFFXQQXKAXHFN-IBGZPJMESA-N 0 3 423.583 0.785 20 0 HCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000619734957 1078929118 /nfs/dbraw/zinc/92/91/18/1078929118.db2.gz RSFFXQQXKAXHFN-LJQANCHMSA-N 0 3 423.583 0.785 20 0 HCADHN Cn1c2ncn(CCN3CCC(CC(=O)NC4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000619738697 1078929902 /nfs/dbraw/zinc/92/99/02/1078929902.db2.gz YQHVFNXDUCBSFV-UHFFFAOYSA-N 0 3 416.526 0.595 20 0 HCADHN CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000619875583 1078956176 /nfs/dbraw/zinc/95/61/76/1078956176.db2.gz RWMXYSYECDPZKH-GOSISDBHSA-N 0 3 403.479 0.803 20 0 HCADHN CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000619875584 1078956112 /nfs/dbraw/zinc/95/61/12/1078956112.db2.gz RWMXYSYECDPZKH-SFHVURJKSA-N 0 3 403.479 0.803 20 0 HCADHN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)c[nH]1 ZINC000619971861 1078970027 /nfs/dbraw/zinc/97/00/27/1078970027.db2.gz XQSRZSQNQQYECA-KBPBESRZSA-N 0 3 407.540 0.496 20 0 HCADHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)c[nH]1 ZINC000619971862 1078970296 /nfs/dbraw/zinc/97/02/96/1078970296.db2.gz XQSRZSQNQQYECA-KGLIPLIRSA-N 0 3 407.540 0.496 20 0 HCADHN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)c[nH]1 ZINC000619971863 1078970528 /nfs/dbraw/zinc/97/05/28/1078970528.db2.gz XQSRZSQNQQYECA-UONOGXRCSA-N 0 3 407.540 0.496 20 0 HCADHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)c[nH]1 ZINC000619971864 1078970591 /nfs/dbraw/zinc/97/05/91/1078970591.db2.gz XQSRZSQNQQYECA-ZIAGYGMSSA-N 0 3 407.540 0.496 20 0 HCADHN CN(C)Cc1ccccc1CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000620159283 1078986325 /nfs/dbraw/zinc/98/63/25/1078986325.db2.gz IQZFDSYCCNONGA-UHFFFAOYSA-N 0 3 418.475 0.620 20 0 HCADHN CN1CCN(CCCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000620159330 1078986145 /nfs/dbraw/zinc/98/61/45/1078986145.db2.gz UEIQCGURXWXIRL-UHFFFAOYSA-N 0 3 400.520 0.638 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCCCN2CCN(C)CC2)c1 ZINC000620189070 1078991364 /nfs/dbraw/zinc/99/13/64/1078991364.db2.gz RNUOXNJVLXTYHP-UHFFFAOYSA-N 0 3 424.567 0.701 20 0 HCADHN CN1CCN(CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620189308 1078991085 /nfs/dbraw/zinc/99/10/85/1078991085.db2.gz GWWHFAQDRCNNPC-IBGZPJMESA-N 0 3 400.527 0.891 20 0 HCADHN CN1CCN(CCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620189309 1078991460 /nfs/dbraw/zinc/99/14/60/1078991460.db2.gz GWWHFAQDRCNNPC-LJQANCHMSA-N 0 3 400.527 0.891 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000620189323 1078991986 /nfs/dbraw/zinc/99/19/86/1078991986.db2.gz JXYHGLXFIGKLSS-UHFFFAOYSA-N 0 3 410.540 0.311 20 0 HCADHN CCN1CCN(CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620190048 1078991214 /nfs/dbraw/zinc/99/12/14/1078991214.db2.gz HDWVIHJGLLOFQM-IBGZPJMESA-N 0 3 400.527 0.891 20 0 HCADHN CCN1CCN(CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620190049 1078991395 /nfs/dbraw/zinc/99/13/95/1078991395.db2.gz HDWVIHJGLLOFQM-LJQANCHMSA-N 0 3 400.527 0.891 20 0 HCADHN CN1CCN(CCCCNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)CC1 ZINC000620204824 1078990792 /nfs/dbraw/zinc/99/07/92/1078990792.db2.gz DGANHVWNHRNNMX-UHFFFAOYSA-N 0 3 414.510 0.669 20 0 HCADHN CC(C)(C)CCN1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000620240617 1078996411 /nfs/dbraw/zinc/99/64/11/1078996411.db2.gz RLQPCTOFOKHJBK-UHFFFAOYSA-N 0 3 424.523 0.822 20 0 HCADHN CN1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000620321806 1078998910 /nfs/dbraw/zinc/99/89/10/1078998910.db2.gz HBSIMTFPUINXLD-HNNXBMFYSA-N 0 3 424.523 0.568 20 0 HCADHN CN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000620321807 1078999038 /nfs/dbraw/zinc/99/90/38/1078999038.db2.gz HBSIMTFPUINXLD-OAHLLOKOSA-N 0 3 424.523 0.568 20 0 HCADHN COCCN1CCC(NC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 ZINC000620325245 1078998942 /nfs/dbraw/zinc/99/89/42/1078998942.db2.gz LRLHCXQIYBLTFK-UHFFFAOYSA-N 0 3 417.554 0.984 20 0 HCADHN CC(C)N1CCN(c2ccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 ZINC000620409941 1079003740 /nfs/dbraw/zinc/00/37/40/1079003740.db2.gz LPGDBBNBWGSVKU-UHFFFAOYSA-N 0 3 423.583 0.781 20 0 HCADHN C[C@@H](CNC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)CN1CCN(C)CC1 ZINC000620427119 1079005561 /nfs/dbraw/zinc/00/55/61/1079005561.db2.gz XEKYCORLZGUAMD-HNNXBMFYSA-N 0 3 402.499 0.743 20 0 HCADHN C[C@H](CNC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)CN1CCN(C)CC1 ZINC000620427121 1079005574 /nfs/dbraw/zinc/00/55/74/1079005574.db2.gz XEKYCORLZGUAMD-OAHLLOKOSA-N 0 3 402.499 0.743 20 0 HCADHN C[C@@H](CNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)CN1CCN(C)CC1 ZINC000620427382 1079005274 /nfs/dbraw/zinc/00/52/74/1079005274.db2.gz SHNIJTAYJQDRRH-HNNXBMFYSA-N 0 3 402.499 0.743 20 0 HCADHN C[C@H](CNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)CN1CCN(C)CC1 ZINC000620427383 1079004959 /nfs/dbraw/zinc/00/49/59/1079004959.db2.gz SHNIJTAYJQDRRH-OAHLLOKOSA-N 0 3 402.499 0.743 20 0 HCADHN CN1CCN(c2ncccc2CNC(=O)NCC(C)(C)N2CCN(C)CC2)CC1 ZINC000620667394 1079022605 /nfs/dbraw/zinc/02/26/05/1079022605.db2.gz MHSJTMIIQIIKTR-UHFFFAOYSA-N 0 3 403.575 0.659 20 0 HCADHN COc1cc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000620759499 1079029022 /nfs/dbraw/zinc/02/90/22/1079029022.db2.gz NJJJGPDBMWMQJC-CYBMUJFWSA-N 0 3 401.485 0.082 20 0 HCADHN Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)N(C)C)cc1 ZINC000620819805 1079031443 /nfs/dbraw/zinc/03/14/43/1079031443.db2.gz FTGLLOJLPFIDLJ-FQEVSTJZSA-N 0 3 417.554 0.784 20 0 HCADHN Cc1ccc([C@@H](CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)N(C)C)cc1 ZINC000620820668 1079031143 /nfs/dbraw/zinc/03/11/43/1079031143.db2.gz UDRXADGSKFIEJW-DLBZAZTESA-N 0 3 410.540 0.590 20 0 HCADHN Cc1ccc([C@@H](CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 ZINC000620820679 1079031759 /nfs/dbraw/zinc/03/17/59/1079031759.db2.gz UDRXADGSKFIEJW-IAGOWNOFSA-N 0 3 410.540 0.590 20 0 HCADHN Cc1ccc([C@H](CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)N(C)C)cc1 ZINC000620820680 1079031833 /nfs/dbraw/zinc/03/18/33/1079031833.db2.gz UDRXADGSKFIEJW-IRXDYDNUSA-N 0 3 410.540 0.590 20 0 HCADHN Cc1ccc([C@H](CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 ZINC000620820681 1079031688 /nfs/dbraw/zinc/03/16/88/1079031688.db2.gz UDRXADGSKFIEJW-SJORKVTESA-N 0 3 410.540 0.590 20 0 HCADHN COc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(OC)n1 ZINC000620829306 1079032093 /nfs/dbraw/zinc/03/20/93/1079032093.db2.gz CAXXWZNHLVLQLE-MRXNPFEDSA-N 0 3 414.462 0.573 20 0 HCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)c2ccccc2O1 ZINC000620839801 1079034416 /nfs/dbraw/zinc/03/44/16/1079034416.db2.gz ZIAYZVMWNDLICY-CRAIPNDOSA-N 0 3 402.495 0.763 20 0 HCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)c2ccccc2O1 ZINC000620839802 1079034376 /nfs/dbraw/zinc/03/43/76/1079034376.db2.gz ZIAYZVMWNDLICY-MAUKXSAKSA-N 0 3 402.495 0.763 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)c2ccccc2O1 ZINC000620839803 1079034430 /nfs/dbraw/zinc/03/44/30/1079034430.db2.gz ZIAYZVMWNDLICY-QAPCUYQASA-N 0 3 402.495 0.763 20 0 HCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)c2ccccc2O1 ZINC000620839804 1079034524 /nfs/dbraw/zinc/03/45/24/1079034524.db2.gz ZIAYZVMWNDLICY-YJBOKZPZSA-N 0 3 402.495 0.763 20 0 HCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(C4CC4)CC3)c2)CC1 ZINC000620844127 1079033609 /nfs/dbraw/zinc/03/36/09/1079033609.db2.gz ONNZCNWOMVQZDN-UHFFFAOYSA-N 0 3 413.522 0.629 20 0 HCADHN CN(C)CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCCCC1 ZINC000620856754 1079035274 /nfs/dbraw/zinc/03/52/74/1079035274.db2.gz SCBFHYMMBYNDJF-UHFFFAOYSA-N 0 3 404.515 0.547 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCC[C@H](CO)C3)CC2)cc1 ZINC000621477032 1079066934 /nfs/dbraw/zinc/06/69/34/1079066934.db2.gz NKEPHHKHDLVLTR-MSOLQXFVSA-N 0 3 409.552 0.921 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCC[C@@H](CO)C3)CC2)cc1 ZINC000621477033 1079067066 /nfs/dbraw/zinc/06/70/66/1079067066.db2.gz NKEPHHKHDLVLTR-QZTJIDSGSA-N 0 3 409.552 0.921 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCC[C@H](CO)C3)CC2)cc1 ZINC000621477034 1079067063 /nfs/dbraw/zinc/06/70/63/1079067063.db2.gz NKEPHHKHDLVLTR-ROUUACIJSA-N 0 3 409.552 0.921 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCC[C@@H](CO)C3)CC2)cc1 ZINC000621477035 1079066989 /nfs/dbraw/zinc/06/69/89/1079066989.db2.gz NKEPHHKHDLVLTR-ZWKOTPCHSA-N 0 3 409.552 0.921 20 0 HCADHN O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000621646765 1079073156 /nfs/dbraw/zinc/07/31/56/1079073156.db2.gz INWSSUIBVOCSRM-FQEVSTJZSA-N 0 3 406.571 0.892 20 0 HCADHN Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)N(C)C)cc1 ZINC000621652493 1079073681 /nfs/dbraw/zinc/07/36/81/1079073681.db2.gz KJOOOCFCWYOUIG-PMACEKPBSA-N 0 3 402.539 0.895 20 0 HCADHN Cc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)N(C)C)cc1 ZINC000621652494 1079073701 /nfs/dbraw/zinc/07/37/01/1079073701.db2.gz KJOOOCFCWYOUIG-VQTJNVASSA-N 0 3 402.539 0.895 20 0 HCADHN Cc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)N(C)C)cc1 ZINC000621652495 1079073525 /nfs/dbraw/zinc/07/35/25/1079073525.db2.gz KJOOOCFCWYOUIG-WOJBJXKFSA-N 0 3 402.539 0.895 20 0 HCADHN CS(=O)(=O)N1CCN(CCNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000621702626 1079074386 /nfs/dbraw/zinc/07/43/86/1079074386.db2.gz VZUFYBIKGDFPPB-UHFFFAOYSA-N 0 3 423.583 0.311 20 0 HCADHN CS(=O)(=O)N1CCN(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000621704471 1079074830 /nfs/dbraw/zinc/07/48/30/1079074830.db2.gz RPNATRKCPZIHHS-IBGZPJMESA-N 0 3 423.583 0.527 20 0 HCADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000621704723 1079074852 /nfs/dbraw/zinc/07/48/52/1079074852.db2.gz PLYQLISXVXHGRT-HKUYNNGSSA-N 0 3 423.583 0.698 20 0 HCADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000621704724 1079074813 /nfs/dbraw/zinc/07/48/13/1079074813.db2.gz PLYQLISXVXHGRT-IEBWSBKVSA-N 0 3 423.583 0.698 20 0 HCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000621704725 1079074885 /nfs/dbraw/zinc/07/48/85/1079074885.db2.gz PLYQLISXVXHGRT-MJGOQNOKSA-N 0 3 423.583 0.698 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)ccc2oc1=O ZINC000621953050 1079082930 /nfs/dbraw/zinc/08/29/30/1079082930.db2.gz XKVPAZMJSSGJRO-AWEZNQCLSA-N 0 3 410.496 0.909 20 0 HCADHN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000622062046 1079088766 /nfs/dbraw/zinc/08/87/66/1079088766.db2.gz IYAIXAXYPJMNMW-KBPBESRZSA-N 0 3 409.508 0.868 20 0 HCADHN CCN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000622164697 1079098007 /nfs/dbraw/zinc/09/80/07/1079098007.db2.gz KHZYNAMKHPIWNT-AWEZNQCLSA-N 0 3 404.467 0.980 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCC(=O)NC3CCCC3)ccc2oc1=O ZINC000622242548 1079100384 /nfs/dbraw/zinc/10/03/84/1079100384.db2.gz MAKIMKGGLCHMSW-UHFFFAOYSA-N 0 3 417.466 0.270 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)NC3CCCC3)cc2)CC1 ZINC000622243589 1079100857 /nfs/dbraw/zinc/10/08/57/1079100857.db2.gz TYLVYRKIIUMKSG-UHFFFAOYSA-N 0 3 415.538 0.938 20 0 HCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000622405695 1079109943 /nfs/dbraw/zinc/10/99/43/1079109943.db2.gz JQROYDQXATYYPZ-UHFFFAOYSA-N 0 3 403.487 0.657 20 0 HCADHN NS(=O)(=O)c1ccc(NC(=O)C2CCN(CCn3ccccc3=O)CC2)cc1 ZINC000622500361 1079113578 /nfs/dbraw/zinc/11/35/78/1079113578.db2.gz MRMVCOWHCQYGTM-UHFFFAOYSA-N 0 3 404.492 0.846 20 0 HCADHN COc1ccc(CC(=O)N2CCCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000623075511 1079168537 /nfs/dbraw/zinc/16/85/37/1079168537.db2.gz HWNLFWWZDUXWPT-UHFFFAOYSA-N 0 3 411.524 0.423 20 0 HCADHN O=C(CN1CCCNC1=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000623110290 1079171898 /nfs/dbraw/zinc/17/18/98/1079171898.db2.gz VSOVOYOJNNFEPR-GOSISDBHSA-N 0 3 400.527 0.858 20 0 HCADHN O=C(CN1CCCNC1=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000623110291 1079171982 /nfs/dbraw/zinc/17/19/82/1079171982.db2.gz VSOVOYOJNNFEPR-SFHVURJKSA-N 0 3 400.527 0.858 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000623136221 1079180212 /nfs/dbraw/zinc/18/02/12/1079180212.db2.gz PKARAGPTTOYXJW-HNNXBMFYSA-N 0 3 415.512 0.483 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000623136222 1079180159 /nfs/dbraw/zinc/18/01/59/1079180159.db2.gz PKARAGPTTOYXJW-OAHLLOKOSA-N 0 3 415.512 0.483 20 0 HCADHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000623169366 1079190013 /nfs/dbraw/zinc/19/00/13/1079190013.db2.gz BKINBZFNSDKXLG-HNNXBMFYSA-N 0 3 411.524 0.906 20 0 HCADHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000623169367 1079189526 /nfs/dbraw/zinc/18/95/26/1079189526.db2.gz BKINBZFNSDKXLG-OAHLLOKOSA-N 0 3 411.524 0.906 20 0 HCADHN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000623171638 1079189674 /nfs/dbraw/zinc/18/96/74/1079189674.db2.gz XZMYWADCIQFXPW-MOPGFXCFSA-N 0 3 415.538 0.690 20 0 HCADHN C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000623171639 1079189906 /nfs/dbraw/zinc/18/99/06/1079189906.db2.gz XZMYWADCIQFXPW-OALUTQOASA-N 0 3 415.538 0.690 20 0 HCADHN C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000623171640 1079190108 /nfs/dbraw/zinc/19/01/08/1079190108.db2.gz XZMYWADCIQFXPW-RBUKOAKNSA-N 0 3 415.538 0.690 20 0 HCADHN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000623171641 1079189762 /nfs/dbraw/zinc/18/97/62/1079189762.db2.gz XZMYWADCIQFXPW-RTBURBONSA-N 0 3 415.538 0.690 20 0 HCADHN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(N3CCC[C@@H]3C(N)=O)CC1)C2=O ZINC000623203805 1079193635 /nfs/dbraw/zinc/19/36/35/1079193635.db2.gz LLOMCRPNMFKHKE-JERHATOGSA-N 0 3 419.526 0.428 20 0 HCADHN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(N3CCC[C@H]3C(N)=O)CC1)C2=O ZINC000623203806 1079193758 /nfs/dbraw/zinc/19/37/58/1079193758.db2.gz LLOMCRPNMFKHKE-PKAMJGAUSA-N 0 3 419.526 0.428 20 0 HCADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(N3CCC[C@@H]3C(N)=O)CC1)C2=O ZINC000623203921 1079193566 /nfs/dbraw/zinc/19/35/66/1079193566.db2.gz PJHKZCTXRQTBKL-IUSZMWJPSA-N 0 3 419.526 0.428 20 0 HCADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(N3CCC[C@H]3C(N)=O)CC1)C2=O ZINC000623203922 1079192978 /nfs/dbraw/zinc/19/29/78/1079192978.db2.gz PJHKZCTXRQTBKL-IVZHQMGZSA-N 0 3 419.526 0.428 20 0 HCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(N3CCC[C@@H]3C(N)=O)CC1)C2=O ZINC000623203923 1079192910 /nfs/dbraw/zinc/19/29/10/1079192910.db2.gz PJHKZCTXRQTBKL-NVAPDCRFSA-N 0 3 419.526 0.428 20 0 HCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(N3CCC[C@H]3C(N)=O)CC1)C2=O ZINC000623203924 1079192875 /nfs/dbraw/zinc/19/28/75/1079192875.db2.gz PJHKZCTXRQTBKL-ZJTDPSCFSA-N 0 3 419.526 0.428 20 0 HCADHN CN(CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000623203977 1079192947 /nfs/dbraw/zinc/19/29/47/1079192947.db2.gz SLGKFVPLWLHQPC-KRWDZBQOSA-N 0 3 408.524 0.248 20 0 HCADHN CN(CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000623203978 1079192894 /nfs/dbraw/zinc/19/28/94/1079192894.db2.gz SLGKFVPLWLHQPC-QGZVFWFLSA-N 0 3 408.524 0.248 20 0 HCADHN COc1ccc(N2C[C@H](C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)CC2=O)cc1 ZINC000623204015 1079192694 /nfs/dbraw/zinc/19/26/94/1079192694.db2.gz UZIAFQSRYWGPBK-BEFAXECRSA-N 0 3 414.506 0.989 20 0 HCADHN COc1ccc(N2C[C@H](C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)CC2=O)cc1 ZINC000623204016 1079193728 /nfs/dbraw/zinc/19/37/28/1079193728.db2.gz UZIAFQSRYWGPBK-DNVCBOLYSA-N 0 3 414.506 0.989 20 0 HCADHN COc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)CC2=O)cc1 ZINC000623204017 1079193461 /nfs/dbraw/zinc/19/34/61/1079193461.db2.gz UZIAFQSRYWGPBK-HNAYVOBHSA-N 0 3 414.506 0.989 20 0 HCADHN COc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)CC2=O)cc1 ZINC000623204018 1079193751 /nfs/dbraw/zinc/19/37/51/1079193751.db2.gz UZIAFQSRYWGPBK-KXBFYZLASA-N 0 3 414.506 0.989 20 0 HCADHN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000623204185 1079193598 /nfs/dbraw/zinc/19/35/98/1079193598.db2.gz XOBGGRBYNKTYIE-KRWDZBQOSA-N 0 3 408.524 0.491 20 0 HCADHN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000623204186 1079193740 /nfs/dbraw/zinc/19/37/40/1079193740.db2.gz XOBGGRBYNKTYIE-QGZVFWFLSA-N 0 3 408.524 0.491 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000623204225 1079197468 /nfs/dbraw/zinc/19/74/68/1079197468.db2.gz ZCCGVYHKKYFVGH-AEFFLSMTSA-N 0 3 405.543 0.855 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000623204226 1079197325 /nfs/dbraw/zinc/19/73/25/1079197325.db2.gz ZCCGVYHKKYFVGH-FUHWJXTLSA-N 0 3 405.543 0.855 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000623204227 1079197164 /nfs/dbraw/zinc/19/71/64/1079197164.db2.gz ZCCGVYHKKYFVGH-SJLPKXTDSA-N 0 3 405.543 0.855 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000623204228 1079197608 /nfs/dbraw/zinc/19/76/08/1079197608.db2.gz ZCCGVYHKKYFVGH-WMZOPIPTSA-N 0 3 405.543 0.855 20 0 HCADHN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623204995 1079192813 /nfs/dbraw/zinc/19/28/13/1079192813.db2.gz AAZXNHHCFKJUKL-KRWDZBQOSA-N 0 3 408.524 0.491 20 0 HCADHN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623204996 1079192630 /nfs/dbraw/zinc/19/26/30/1079192630.db2.gz AAZXNHHCFKJUKL-QGZVFWFLSA-N 0 3 408.524 0.491 20 0 HCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000623205009 1079192990 /nfs/dbraw/zinc/19/29/90/1079192990.db2.gz AHTKBBMHDBSWGE-GOSISDBHSA-N 0 3 422.551 0.848 20 0 HCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000623205010 1079193007 /nfs/dbraw/zinc/19/30/07/1079193007.db2.gz AHTKBBMHDBSWGE-SFHVURJKSA-N 0 3 422.551 0.848 20 0 HCADHN CCOc1ccccc1C(=O)NCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000623205037 1079197048 /nfs/dbraw/zinc/19/70/48/1079197048.db2.gz BBUOXGCERLWLNS-KRWDZBQOSA-N 0 3 402.495 0.756 20 0 HCADHN CCOc1ccccc1C(=O)NCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000623205038 1079197423 /nfs/dbraw/zinc/19/74/23/1079197423.db2.gz BBUOXGCERLWLNS-QGZVFWFLSA-N 0 3 402.495 0.756 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000623205069 1079197544 /nfs/dbraw/zinc/19/75/44/1079197544.db2.gz CPVXWAYZKKJHQO-GOSISDBHSA-N 0 3 420.535 0.682 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000623205070 1079197586 /nfs/dbraw/zinc/19/75/86/1079197586.db2.gz CPVXWAYZKKJHQO-SFHVURJKSA-N 0 3 420.535 0.682 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000623205085 1079197103 /nfs/dbraw/zinc/19/71/03/1079197103.db2.gz DAOJTGPQYUBAHF-KRWDZBQOSA-N 0 3 413.478 0.433 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000623205086 1079197234 /nfs/dbraw/zinc/19/72/34/1079197234.db2.gz DAOJTGPQYUBAHF-QGZVFWFLSA-N 0 3 413.478 0.433 20 0 HCADHN CNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1OC ZINC000623205127 1079195462 /nfs/dbraw/zinc/19/54/62/1079195462.db2.gz FPIRCNJURKKKSV-HNNXBMFYSA-N 0 3 424.523 0.158 20 0 HCADHN CNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1OC ZINC000623205128 1079195706 /nfs/dbraw/zinc/19/57/06/1079195706.db2.gz FPIRCNJURKKKSV-OAHLLOKOSA-N 0 3 424.523 0.158 20 0 HCADHN CCn1c(=O)[nH]c2cc(C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)ccc2c1=O ZINC000623205297 1079198996 /nfs/dbraw/zinc/19/89/96/1079198996.db2.gz KFQVTJWORIVUAZ-KRWDZBQOSA-N 0 3 413.478 0.676 20 0 HCADHN CCn1c(=O)[nH]c2cc(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)ccc2c1=O ZINC000623205298 1079199094 /nfs/dbraw/zinc/19/90/94/1079199094.db2.gz KFQVTJWORIVUAZ-QGZVFWFLSA-N 0 3 413.478 0.676 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000623205325 1079199016 /nfs/dbraw/zinc/19/90/16/1079199016.db2.gz KZRQTUYWTAXFAK-GOSISDBHSA-N 0 3 420.535 0.781 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000623205326 1079198877 /nfs/dbraw/zinc/19/88/77/1079198877.db2.gz KZRQTUYWTAXFAK-SFHVURJKSA-N 0 3 420.535 0.781 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000623205333 1079199227 /nfs/dbraw/zinc/19/92/27/1079199227.db2.gz LELJVRSMHRZDNG-BBWFWOEESA-N 0 3 404.511 0.492 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000623205334 1079199153 /nfs/dbraw/zinc/19/91/53/1079199153.db2.gz LELJVRSMHRZDNG-IXDOHACOSA-N 0 3 404.511 0.492 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000623205335 1079198917 /nfs/dbraw/zinc/19/89/17/1079198917.db2.gz LELJVRSMHRZDNG-ULQDDVLXSA-N 0 3 404.511 0.492 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000623205336 1079199060 /nfs/dbraw/zinc/19/90/60/1079199060.db2.gz LELJVRSMHRZDNG-ZACQAIPSSA-N 0 3 404.511 0.492 20 0 HCADHN COc1ccc(C(=O)NCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1OC ZINC000623205361 1079199304 /nfs/dbraw/zinc/19/93/04/1079199304.db2.gz LTNDEHUJXYJVHY-INIZCTEOSA-N 0 3 418.494 0.374 20 0 HCADHN COc1ccc(C(=O)NCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1OC ZINC000623205362 1079199186 /nfs/dbraw/zinc/19/91/86/1079199186.db2.gz LTNDEHUJXYJVHY-MRXNPFEDSA-N 0 3 418.494 0.374 20 0 HCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000623205379 1079199035 /nfs/dbraw/zinc/19/90/35/1079199035.db2.gz MOKYTIUKBYLNTA-GOSISDBHSA-N 0 3 422.551 0.928 20 0 HCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000623205380 1079198825 /nfs/dbraw/zinc/19/88/25/1079198825.db2.gz MOKYTIUKBYLNTA-SFHVURJKSA-N 0 3 422.551 0.928 20 0 HCADHN CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623205385 1079198047 /nfs/dbraw/zinc/19/80/47/1079198047.db2.gz MTFFRVYPVZXJQP-KRWDZBQOSA-N 0 3 408.524 0.539 20 0 HCADHN CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623205386 1079197928 /nfs/dbraw/zinc/19/79/28/1079197928.db2.gz MTFFRVYPVZXJQP-QGZVFWFLSA-N 0 3 408.524 0.539 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCN2c3ccccc3OCC2=O)CC1 ZINC000623205393 1079198216 /nfs/dbraw/zinc/19/82/16/1079198216.db2.gz NBXLFLAUYXMAMU-KRWDZBQOSA-N 0 3 400.479 0.743 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCN2c3ccccc3OCC2=O)CC1 ZINC000623205394 1079198241 /nfs/dbraw/zinc/19/82/41/1079198241.db2.gz NBXLFLAUYXMAMU-QGZVFWFLSA-N 0 3 400.479 0.743 20 0 HCADHN C[C@H]1Oc2ccccc2N(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000623205397 1079198430 /nfs/dbraw/zinc/19/84/30/1079198430.db2.gz NFTRDSBVKNGNCH-PBHICJAKSA-N 0 3 400.479 0.741 20 0 HCADHN C[C@H]1Oc2ccccc2N(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000623205398 1079197966 /nfs/dbraw/zinc/19/79/66/1079197966.db2.gz NFTRDSBVKNGNCH-RHSMWYFYSA-N 0 3 400.479 0.741 20 0 HCADHN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000623205399 1079198199 /nfs/dbraw/zinc/19/81/99/1079198199.db2.gz NFTRDSBVKNGNCH-WMLDXEAASA-N 0 3 400.479 0.741 20 0 HCADHN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000623205400 1079199201 /nfs/dbraw/zinc/19/92/01/1079199201.db2.gz NFTRDSBVKNGNCH-YOEHRIQHSA-N 0 3 400.479 0.741 20 0 HCADHN CS(=O)(=O)N1CCc2cc(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)ccc21 ZINC000623205527 1079198794 /nfs/dbraw/zinc/19/87/94/1079198794.db2.gz RTUDJTIOYIMREM-GOSISDBHSA-N 0 3 420.535 0.563 20 0 HCADHN CS(=O)(=O)N1CCc2cc(C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)ccc21 ZINC000623205528 1079198000 /nfs/dbraw/zinc/19/80/00/1079198000.db2.gz RTUDJTIOYIMREM-SFHVURJKSA-N 0 3 420.535 0.563 20 0 HCADHN CCOc1ccc(C(=O)NCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623205533 1079198264 /nfs/dbraw/zinc/19/82/64/1079198264.db2.gz SAKMOYZSEFCKKW-GOSISDBHSA-N 0 3 402.495 0.756 20 0 HCADHN CCOc1ccc(C(=O)NCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623205534 1079198168 /nfs/dbraw/zinc/19/81/68/1079198168.db2.gz SAKMOYZSEFCKKW-SFHVURJKSA-N 0 3 402.495 0.756 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000623205553 1079198317 /nfs/dbraw/zinc/19/83/17/1079198317.db2.gz SOVJEIZHVIKFNI-GOSISDBHSA-N 0 3 420.535 0.682 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000623205554 1079198489 /nfs/dbraw/zinc/19/84/89/1079198489.db2.gz SOVJEIZHVIKFNI-SFHVURJKSA-N 0 3 420.535 0.682 20 0 HCADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623205765 1079198373 /nfs/dbraw/zinc/19/83/73/1079198373.db2.gz XGCVCBMLLWECNM-GOSISDBHSA-N 0 3 422.551 0.468 20 0 HCADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623205766 1079198129 /nfs/dbraw/zinc/19/81/29/1079198129.db2.gz XGCVCBMLLWECNM-SFHVURJKSA-N 0 3 422.551 0.468 20 0 HCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000623205909 1079198349 /nfs/dbraw/zinc/19/83/49/1079198349.db2.gz ZAKKONCPPDKROQ-HNNXBMFYSA-N 0 3 402.451 0.086 20 0 HCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000623205910 1079198405 /nfs/dbraw/zinc/19/84/05/1079198405.db2.gz ZAKKONCPPDKROQ-OAHLLOKOSA-N 0 3 402.451 0.086 20 0 HCADHN CN1C(=O)N(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C(=O)C12CCCCC2 ZINC000623205935 1079198291 /nfs/dbraw/zinc/19/82/91/1079198291.db2.gz ZMWANAUROKZSBW-INIZCTEOSA-N 0 3 419.526 0.524 20 0 HCADHN CN1C(=O)N(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C(=O)C12CCCCC2 ZINC000623205936 1079198464 /nfs/dbraw/zinc/19/84/64/1079198464.db2.gz ZMWANAUROKZSBW-MRXNPFEDSA-N 0 3 419.526 0.524 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)N1CCCC1 ZINC000623560242 1075602453 /nfs/dbraw/zinc/60/24/53/1075602453.db2.gz DFIDQAHAPKZLGC-HNNXBMFYSA-N 0 3 401.511 0.927 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)N1CCCC1 ZINC000623560243 1079228314 /nfs/dbraw/zinc/22/83/14/1079228314.db2.gz DFIDQAHAPKZLGC-OAHLLOKOSA-N 0 3 401.511 0.927 20 0 HCADHN O=C(CN1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1)N1CCOCC1 ZINC000623628790 1079235263 /nfs/dbraw/zinc/23/52/63/1079235263.db2.gz JTAIENJQKWLVEQ-FQEVSTJZSA-N 0 3 415.538 0.297 20 0 HCADHN O=C(CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1)N1CCOCC1 ZINC000623628791 1079235075 /nfs/dbraw/zinc/23/50/75/1079235075.db2.gz JTAIENJQKWLVEQ-HXUWFJFHSA-N 0 3 415.538 0.297 20 0 HCADHN O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000623647172 1079234977 /nfs/dbraw/zinc/23/49/77/1079234977.db2.gz BRNDEQYUZUAZFY-MOPGFXCFSA-N 0 3 406.552 0.625 20 0 HCADHN O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000623647173 1079235204 /nfs/dbraw/zinc/23/52/04/1079235204.db2.gz BRNDEQYUZUAZFY-OALUTQOASA-N 0 3 406.552 0.625 20 0 HCADHN O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000623647174 1079235180 /nfs/dbraw/zinc/23/51/80/1079235180.db2.gz BRNDEQYUZUAZFY-RBUKOAKNSA-N 0 3 406.552 0.625 20 0 HCADHN O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000623647175 1079235019 /nfs/dbraw/zinc/23/50/19/1079235019.db2.gz BRNDEQYUZUAZFY-RTBURBONSA-N 0 3 406.552 0.625 20 0 HCADHN CC(C)N1CCN(c2ccc(C(=O)NCCN3CCS(=O)(=O)CC3)cc2)CC1 ZINC000623737466 1079249160 /nfs/dbraw/zinc/24/91/60/1079249160.db2.gz RXCLTUPZDKGFSM-UHFFFAOYSA-N 0 3 408.568 0.677 20 0 HCADHN CC(C)(C)CCN1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000623768622 1079262390 /nfs/dbraw/zinc/26/23/90/1079262390.db2.gz IIJXEDICTBUGAU-UHFFFAOYSA-N 0 3 403.593 0.327 20 0 HCADHN CN(C)CCN(Cc1ccccc1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623768730 1079262253 /nfs/dbraw/zinc/26/22/53/1079262253.db2.gz SHFMJRQXEPKFAU-UHFFFAOYSA-N 0 3 411.572 0.337 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)o1 ZINC000623769588 1079263426 /nfs/dbraw/zinc/26/34/26/1079263426.db2.gz DSCLQSIVCOUSND-UHFFFAOYSA-N 0 3 415.560 0.238 20 0 HCADHN CN(C)[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000623770015 1079264061 /nfs/dbraw/zinc/26/40/61/1079264061.db2.gz XHTOLQGCUNTWPB-GOSISDBHSA-N 0 3 411.572 0.036 20 0 HCADHN CN(C)[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000623770016 1079264106 /nfs/dbraw/zinc/26/41/06/1079264106.db2.gz XHTOLQGCUNTWPB-SFHVURJKSA-N 0 3 411.572 0.036 20 0 HCADHN CCN1CCN(CC(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)C(=O)C1=O ZINC000623822213 1079272473 /nfs/dbraw/zinc/27/24/73/1079272473.db2.gz MSQAERKKEHGZFQ-INIZCTEOSA-N 0 3 415.494 0.013 20 0 HCADHN CCN1CCN(CC(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)C(=O)C1=O ZINC000623822214 1079272431 /nfs/dbraw/zinc/27/24/31/1079272431.db2.gz MSQAERKKEHGZFQ-MRXNPFEDSA-N 0 3 415.494 0.013 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000623830044 1079272642 /nfs/dbraw/zinc/27/26/42/1079272642.db2.gz MUXAPKRSVAMOHZ-UHFFFAOYSA-N 0 3 405.524 0.964 20 0 HCADHN O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000624744232 1080282729 /nfs/dbraw/zinc/28/27/29/1080282729.db2.gz MSWQFDHXAVQYCO-INIZCTEOSA-N 0 3 412.490 0.971 20 0 HCADHN O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000624744238 1080282689 /nfs/dbraw/zinc/28/26/89/1080282689.db2.gz MSWQFDHXAVQYCO-MRXNPFEDSA-N 0 3 412.490 0.971 20 0 HCADHN COc1ccc(CN(C)C)cc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000642213746 1074762532 /nfs/dbraw/zinc/76/25/32/1074762532.db2.gz MQGCVMQBDHMGDJ-UHFFFAOYSA-N 0 3 400.439 0.143 20 0 HCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000642227430 1075417653 /nfs/dbraw/zinc/41/76/53/1075417653.db2.gz YAOUGRASJZKRIS-IBGZPJMESA-N 0 3 419.551 0.781 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000642243460 1075597941 /nfs/dbraw/zinc/59/79/41/1075597941.db2.gz BZPOFYIZFRXFSP-GOEBONIOSA-N 0 3 414.528 0.672 20 0 HCADHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000642267436 1077384522 /nfs/dbraw/zinc/38/45/22/1077384522.db2.gz VEPOMQDHBFMRPA-OTWHNJEPSA-N 0 3 419.547 0.803 20 0 HCADHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000642267437 1077384952 /nfs/dbraw/zinc/38/49/52/1077384952.db2.gz VEPOMQDHBFMRPA-QRVBRYPASA-N 0 3 419.547 0.803 20 0 HCADHN CN1CCN(CCCNC(=O)C2CCN(S(N)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000642320794 1077704239 /nfs/dbraw/zinc/70/42/39/1077704239.db2.gz CVPPYDUQEBFWNM-IBGZPJMESA-N 0 3 423.583 0.397 20 0 HCADHN Cc1ccccc1CN1CCC(NC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000646686968 1077283416 /nfs/dbraw/zinc/28/34/16/1077283416.db2.gz IMFNAWNIGGJWLP-UHFFFAOYSA-N 0 3 418.519 0.944 20 0 HCADHN CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000646785641 1077331286 /nfs/dbraw/zinc/33/12/86/1077331286.db2.gz YZNXJBRJBCULBA-MSOLQXFVSA-N 0 3 424.553 0.667 20 0 HCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000669637064 1073398624 /nfs/dbraw/zinc/39/86/24/1073398624.db2.gz ICHQZJHIZUAZFJ-INIZCTEOSA-N 0 3 417.510 0.938 20 0 HCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000669637065 1073399011 /nfs/dbraw/zinc/39/90/11/1073399011.db2.gz ICHQZJHIZUAZFJ-MRXNPFEDSA-N 0 3 417.510 0.938 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1(C)C ZINC000669638995 1073409302 /nfs/dbraw/zinc/40/93/02/1073409302.db2.gz SRSHYGKFWYGCCQ-UHFFFAOYSA-N 0 3 403.527 0.604 20 0 HCADHN COCCOCc1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000669639011 1073409361 /nfs/dbraw/zinc/40/93/61/1073409361.db2.gz IJVJTGRGSKDLPC-UHFFFAOYSA-N 0 3 406.527 0.930 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1(C)C ZINC000669639025 1073409497 /nfs/dbraw/zinc/40/94/97/1073409497.db2.gz BNQOOVHUVVPVEH-UHFFFAOYSA-N 0 3 415.538 0.890 20 0 HCADHN COCCn1ncc2ccc(NC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)cc21 ZINC000669639036 1073409515 /nfs/dbraw/zinc/40/95/15/1073409515.db2.gz MLJVRYLSVNSTTA-UHFFFAOYSA-N 0 3 416.526 0.763 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)CC1(C)C ZINC000669639042 1073409444 /nfs/dbraw/zinc/40/94/44/1073409444.db2.gz WLCHOKHVDRRNIP-UHFFFAOYSA-N 0 3 401.511 0.676 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CC1(C)C ZINC000669639086 1073409198 /nfs/dbraw/zinc/40/91/98/1073409198.db2.gz PDMVRYNVRQTUEP-UHFFFAOYSA-N 0 3 403.462 0.487 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000669640826 1073416586 /nfs/dbraw/zinc/41/65/86/1073416586.db2.gz YVAXLNALGPLTAU-HNNXBMFYSA-N 0 3 424.567 0.698 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669653617 1073457971 /nfs/dbraw/zinc/45/79/71/1073457971.db2.gz ADMMUIAKWLUUAG-INIZCTEOSA-N 0 3 411.572 0.548 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669653618 1073458360 /nfs/dbraw/zinc/45/83/60/1073458360.db2.gz ADMMUIAKWLUUAG-MRXNPFEDSA-N 0 3 411.572 0.548 20 0 HCADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000669654539 1073464160 /nfs/dbraw/zinc/46/41/60/1073464160.db2.gz KDTDRALXGRBYAH-PMACEKPBSA-N 0 3 409.575 0.147 20 0 HCADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000669654540 1073463841 /nfs/dbraw/zinc/46/38/41/1073463841.db2.gz KDTDRALXGRBYAH-VQTJNVASSA-N 0 3 409.575 0.147 20 0 HCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)NCCCCN2CCN(C)CC2)c1 ZINC000669730137 1074046030 /nfs/dbraw/zinc/04/60/30/1074046030.db2.gz QADSZWFEJRRKKQ-UHFFFAOYSA-N 0 3 404.515 0.312 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000669742039 1074226684 /nfs/dbraw/zinc/22/66/84/1074226684.db2.gz FPGXIQYCTHNPJC-HNNXBMFYSA-N 0 3 403.483 0.092 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000669742040 1074226466 /nfs/dbraw/zinc/22/64/66/1074226466.db2.gz FPGXIQYCTHNPJC-OAHLLOKOSA-N 0 3 403.483 0.092 20 0 HCADHN Cc1c(C(=O)N2CC[C@H](S(C)(=O)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000669742443 1074220633 /nfs/dbraw/zinc/22/06/33/1074220633.db2.gz KMNUAGAXDBJRAN-HNNXBMFYSA-N 0 3 403.508 0.823 20 0 HCADHN Cc1c(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000669742444 1074220546 /nfs/dbraw/zinc/22/05/46/1074220546.db2.gz KMNUAGAXDBJRAN-OAHLLOKOSA-N 0 3 403.508 0.823 20 0 HCADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC(C4CCOCC4)C3)ccc2oc1=O ZINC000669745454 1074270617 /nfs/dbraw/zinc/27/06/17/1074270617.db2.gz YCLWLDAQXIWCPU-UHFFFAOYSA-N 0 3 416.478 0.980 20 0 HCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669771518 1074535105 /nfs/dbraw/zinc/53/51/05/1074535105.db2.gz ZBYLUYPJJHZCOZ-HNNXBMFYSA-N 0 3 410.540 0.870 20 0 HCADHN NS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000669773079 1074544961 /nfs/dbraw/zinc/54/49/61/1074544961.db2.gz ZEOJYUQWKMLBPC-UHFFFAOYSA-N 0 3 410.540 0.729 20 0 HCADHN COc1cnccc1N1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669773814 1074549471 /nfs/dbraw/zinc/54/94/71/1074549471.db2.gz YFLLIFSQWMERHE-UHFFFAOYSA-N 0 3 419.507 0.911 20 0 HCADHN CN1CCN(CCC(C)(C)NC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669773904 1074552252 /nfs/dbraw/zinc/55/22/52/1074552252.db2.gz BDHIDIJSORQQPC-UHFFFAOYSA-N 0 3 411.572 0.690 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669774270 1074550147 /nfs/dbraw/zinc/55/01/47/1074550147.db2.gz ZBYLUYPJJHZCOZ-OAHLLOKOSA-N 0 3 410.540 0.870 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)NC3CC(NS(C)(=O)=O)C3)cc2)CC1 ZINC000669854721 1075535862 /nfs/dbraw/zinc/53/58/62/1075535862.db2.gz BVQWQQMKJZSGFI-UHFFFAOYSA-N 0 3 423.583 0.704 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000669854754 1075535606 /nfs/dbraw/zinc/53/56/06/1075535606.db2.gz KOFYMGFVSNIGDR-UHFFFAOYSA-N 0 3 423.583 0.704 20 0 HCADHN CN1CCN(CCCNC(=O)NC2CC(NS(C)(=O)=O)C2)[C@H](c2ccccc2)C1 ZINC000669854903 1075545069 /nfs/dbraw/zinc/54/50/69/1075545069.db2.gz RKVDBZZTQDFRQC-ACBHZAAOSA-N 0 3 423.583 0.745 20 0 HCADHN CN1CCN(CCCNC(=O)NC2CC(NS(C)(=O)=O)C2)[C@@H](c2ccccc2)C1 ZINC000669854904 1075545132 /nfs/dbraw/zinc/54/51/32/1075545132.db2.gz RKVDBZZTQDFRQC-CTWPCTMYSA-N 0 3 423.583 0.745 20 0 HCADHN CS(=O)(=O)NC1CC(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000669854911 1075544983 /nfs/dbraw/zinc/54/49/83/1075544983.db2.gz USWOVWJGIZRQOF-UHFFFAOYSA-N 0 3 423.583 0.574 20 0 HCADHN CS(=O)(=O)NC1CC(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000669855641 1075539326 /nfs/dbraw/zinc/53/93/26/1075539326.db2.gz UMWSJBHCBCBSLO-UHFFFAOYSA-N 0 3 423.583 0.968 20 0 HCADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000669873461 1075676730 /nfs/dbraw/zinc/67/67/30/1075676730.db2.gz KDTDRALXGRBYAH-UXHICEINSA-N 0 3 409.575 0.147 20 0 HCADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000669873462 1075676748 /nfs/dbraw/zinc/67/67/48/1075676748.db2.gz KDTDRALXGRBYAH-WOJBJXKFSA-N 0 3 409.575 0.147 20 0 HCADHN CS(=O)(=O)NC1CC(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000669878706 1075750668 /nfs/dbraw/zinc/75/06/68/1075750668.db2.gz ACTPKHMVFSCUQG-ABHNRTSZSA-N 0 3 410.540 0.657 20 0 HCADHN CS(=O)(=O)NC1CC(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000669878707 1075750727 /nfs/dbraw/zinc/75/07/27/1075750727.db2.gz ACTPKHMVFSCUQG-DAWZGUTISA-N 0 3 410.540 0.657 20 0 HCADHN CCN1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000670068776 1077547525 /nfs/dbraw/zinc/54/75/25/1077547525.db2.gz IYIMUXQBHCQGHL-HNNXBMFYSA-N 0 3 410.540 0.310 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000670068841 1077547549 /nfs/dbraw/zinc/54/75/49/1077547549.db2.gz ZOHXYCDIAWDQPH-CVEARBPZSA-N 0 3 424.567 0.698 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000670068842 1077547590 /nfs/dbraw/zinc/54/75/90/1077547590.db2.gz ZOHXYCDIAWDQPH-HOTGVXAUSA-N 0 3 424.567 0.698 20 0 HCADHN CS(=O)(=O)NC1CC(NC(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000670133693 1077741396 /nfs/dbraw/zinc/74/13/96/1077741396.db2.gz ANXMREZTMOBFID-UHFFFAOYSA-N 0 3 410.540 0.523 20 0 HCADHN CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000670177477 1077845488 /nfs/dbraw/zinc/84/54/88/1077845488.db2.gz CIQXZIBBAXPREJ-AQEOSJORSA-N 0 3 410.540 0.249 20 0 HCADHN CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000670177478 1077845564 /nfs/dbraw/zinc/84/55/64/1077845564.db2.gz CIQXZIBBAXPREJ-BFWZDYSYSA-N 0 3 410.540 0.249 20 0 HCADHN CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000670177479 1077845545 /nfs/dbraw/zinc/84/55/45/1077845545.db2.gz CIQXZIBBAXPREJ-CPFNUKBASA-N 0 3 410.540 0.249 20 0 HCADHN CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000670177480 1077845509 /nfs/dbraw/zinc/84/55/09/1077845509.db2.gz CIQXZIBBAXPREJ-FCCDEINASA-N 0 3 410.540 0.249 20 0 HCADHN CN(C(=O)NC1CC(NS(C)(=O)=O)C1)C1CCN(CCc2ccccn2)CC1 ZINC000670177987 1077846488 /nfs/dbraw/zinc/84/64/88/1077846488.db2.gz XAUXTFHWQONRCZ-UHFFFAOYSA-N 0 3 409.556 0.810 20 0 HCADHN CN(CCN1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)CC1)Cc1ccccc1 ZINC000670178014 1077846506 /nfs/dbraw/zinc/84/65/06/1077846506.db2.gz YDNKBSOOKOSMJB-UHFFFAOYSA-N 0 3 423.583 0.526 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000670182361 1077854715 /nfs/dbraw/zinc/85/47/15/1077854715.db2.gz QNQNZIKSBWBJPK-IBGZPJMESA-N 0 3 417.554 0.945 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000670182362 1077854930 /nfs/dbraw/zinc/85/49/30/1077854930.db2.gz QNQNZIKSBWBJPK-LJQANCHMSA-N 0 3 417.554 0.945 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)cc1)[C@@H]1CCCN(C)C1 ZINC000670254042 1079112038 /nfs/dbraw/zinc/11/20/38/1079112038.db2.gz WSGSOVMUVBEZOM-DYESRHJHSA-N 0 3 420.485 0.724 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)cc1)[C@H]1CCCN(C)C1 ZINC000670254043 1078025275 /nfs/dbraw/zinc/02/52/75/1078025275.db2.gz WSGSOVMUVBEZOM-LAUBAEHRSA-N 0 3 420.485 0.724 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)cc1)[C@@H]1CCCN(C)C1 ZINC000670254044 1078026157 /nfs/dbraw/zinc/02/61/57/1078026157.db2.gz WSGSOVMUVBEZOM-UTKZUKDTSA-N 0 3 420.485 0.724 20 0 HCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)cc1)[C@H]1CCCN(C)C1 ZINC000670254045 1078026280 /nfs/dbraw/zinc/02/62/80/1078026280.db2.gz WSGSOVMUVBEZOM-UWJYYQICSA-N 0 3 420.485 0.724 20 0 HCADHN CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)C1=O ZINC000670257886 1078028170 /nfs/dbraw/zinc/02/81/70/1078028170.db2.gz SOZUUAZDGWCXRW-GOSISDBHSA-N 0 3 401.511 0.500 20 0 HCADHN CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)C1=O ZINC000670257887 1079128172 /nfs/dbraw/zinc/12/81/72/1079128172.db2.gz SOZUUAZDGWCXRW-SFHVURJKSA-N 0 3 401.511 0.500 20 0 HCADHN CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1=O ZINC000670258139 1078028002 /nfs/dbraw/zinc/02/80/02/1078028002.db2.gz AHGJHAWEONXZQR-GOSISDBHSA-N 0 3 401.511 0.812 20 0 HCADHN CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1=O ZINC000670258140 1078028059 /nfs/dbraw/zinc/02/80/59/1078028059.db2.gz AHGJHAWEONXZQR-SFHVURJKSA-N 0 3 401.511 0.812 20 0 HCADHN CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)C1=O ZINC000670258256 1079128197 /nfs/dbraw/zinc/12/81/97/1079128197.db2.gz CYUDYBQIKTXWDP-GOSISDBHSA-N 0 3 401.511 0.893 20 0 HCADHN CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)C1=O ZINC000670258257 1078029213 /nfs/dbraw/zinc/02/92/13/1078029213.db2.gz CYUDYBQIKTXWDP-SFHVURJKSA-N 0 3 401.511 0.893 20 0 HCADHN CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1=O ZINC000670259008 1078029250 /nfs/dbraw/zinc/02/92/50/1078029250.db2.gz CWYIMEOEYPQYFR-KRWDZBQOSA-N 0 3 404.536 0.953 20 0 HCADHN CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1=O ZINC000670259009 1079129071 /nfs/dbraw/zinc/12/90/71/1079129071.db2.gz CWYIMEOEYPQYFR-QGZVFWFLSA-N 0 3 404.536 0.953 20 0 HCADHN CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1=O ZINC000670260816 1078030780 /nfs/dbraw/zinc/03/07/80/1078030780.db2.gz QZVBZEMRFXRWFD-KRWDZBQOSA-N 0 3 415.494 0.059 20 0 HCADHN CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1=O ZINC000670260817 1079132596 /nfs/dbraw/zinc/13/25/96/1079132596.db2.gz QZVBZEMRFXRWFD-QGZVFWFLSA-N 0 3 415.494 0.059 20 0 HCADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCCO1 ZINC000670295302 1078110231 /nfs/dbraw/zinc/11/02/31/1078110231.db2.gz MLMPJXPBLLCLGB-KRWDZBQOSA-N 0 3 406.531 0.738 20 0 HCADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCO1 ZINC000670295303 1078110319 /nfs/dbraw/zinc/11/03/19/1078110319.db2.gz MLMPJXPBLLCLGB-QGZVFWFLSA-N 0 3 406.531 0.738 20 0 HCADHN CCN(CC)CC(=O)N1CCN(c2nnc(COC)n2C[C@@H]2CCCCO2)CC1 ZINC000670359289 1078252741 /nfs/dbraw/zinc/25/27/41/1078252741.db2.gz UFYHTCSDBJNNQZ-KRWDZBQOSA-N 0 3 408.547 0.984 20 0 HCADHN CCN(CC)CC(=O)N1CCN(c2nnc(COC)n2C[C@H]2CCCCO2)CC1 ZINC000670359290 1078252759 /nfs/dbraw/zinc/25/27/59/1078252759.db2.gz UFYHTCSDBJNNQZ-QGZVFWFLSA-N 0 3 408.547 0.984 20 0 HCADHN COCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCCCO1 ZINC000670361786 1078257882 /nfs/dbraw/zinc/25/78/82/1078257882.db2.gz QIELAGVCHLJWDS-KRWDZBQOSA-N 0 3 406.531 0.738 20 0 HCADHN COCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCCO1 ZINC000670361787 1078258031 /nfs/dbraw/zinc/25/80/31/1078258031.db2.gz QIELAGVCHLJWDS-QGZVFWFLSA-N 0 3 406.531 0.738 20 0 HCADHN C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)NCCN1CCCCC1 ZINC000670394672 1078311807 /nfs/dbraw/zinc/31/18/07/1078311807.db2.gz BVZHSMGRKBPQHG-OAHLLOKOSA-N 0 3 400.483 0.288 20 0 HCADHN C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)NCCN1CCCCC1 ZINC000670394684 1078311837 /nfs/dbraw/zinc/31/18/37/1078311837.db2.gz BXAHMVOSHOHWNT-CQSZACIVSA-N 0 3 407.540 0.919 20 0 HCADHN CN(C)C(=O)Cn1cc(C(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)nn1 ZINC000670396231 1078313445 /nfs/dbraw/zinc/31/34/45/1078313445.db2.gz SMSPJOHHCTUBLH-INIZCTEOSA-N 0 3 408.547 0.700 20 0 HCADHN CN(C)C(=O)Cn1cc(C(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)nn1 ZINC000670396232 1078313383 /nfs/dbraw/zinc/31/33/83/1078313383.db2.gz SMSPJOHHCTUBLH-MRXNPFEDSA-N 0 3 408.547 0.700 20 0 HCADHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000670396509 1078315218 /nfs/dbraw/zinc/31/52/18/1078315218.db2.gz YYVXWCBSXDTGRK-KRWDZBQOSA-N 0 3 418.604 0.622 20 0 HCADHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000670396510 1078315234 /nfs/dbraw/zinc/31/52/34/1078315234.db2.gz YYVXWCBSXDTGRK-QGZVFWFLSA-N 0 3 418.604 0.622 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000670429597 1078359360 /nfs/dbraw/zinc/35/93/60/1078359360.db2.gz YZSSKHLANODHPX-SJORKVTESA-N 0 3 408.524 0.047 20 0 HCADHN C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000670431932 1078362700 /nfs/dbraw/zinc/36/27/00/1078362700.db2.gz VUAJEZFNGIUKMN-IBGZPJMESA-N 0 3 402.539 0.948 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000670431933 1078362633 /nfs/dbraw/zinc/36/26/33/1078362633.db2.gz VUAJEZFNGIUKMN-LJQANCHMSA-N 0 3 402.539 0.948 20 0 HCADHN COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1OC ZINC000670491868 1078510413 /nfs/dbraw/zinc/51/04/13/1078510413.db2.gz NJTLZJLYGIKOPW-INIZCTEOSA-N 0 3 418.494 0.085 20 0 HCADHN O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670508393 1078556871 /nfs/dbraw/zinc/55/68/71/1078556871.db2.gz ZVGYELWHVIORNR-DLBZAZTESA-N 0 3 406.552 0.838 20 0 HCADHN O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670508394 1078556899 /nfs/dbraw/zinc/55/68/99/1078556899.db2.gz ZVGYELWHVIORNR-IAGOWNOFSA-N 0 3 406.552 0.838 20 0 HCADHN O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670508395 1078556987 /nfs/dbraw/zinc/55/69/87/1078556987.db2.gz ZVGYELWHVIORNR-IRXDYDNUSA-N 0 3 406.552 0.838 20 0 HCADHN O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670508396 1078556949 /nfs/dbraw/zinc/55/69/49/1078556949.db2.gz ZVGYELWHVIORNR-SJORKVTESA-N 0 3 406.552 0.838 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000670532330 1078647787 /nfs/dbraw/zinc/64/77/87/1078647787.db2.gz FXYLCKJWHIYQIU-PMACEKPBSA-N 0 3 402.539 0.994 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000670532331 1078648173 /nfs/dbraw/zinc/64/81/73/1078648173.db2.gz FXYLCKJWHIYQIU-UXHICEINSA-N 0 3 402.539 0.994 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000670532332 1078648240 /nfs/dbraw/zinc/64/82/40/1078648240.db2.gz FXYLCKJWHIYQIU-VQTJNVASSA-N 0 3 402.539 0.994 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000670532333 1078648355 /nfs/dbraw/zinc/64/83/55/1078648355.db2.gz FXYLCKJWHIYQIU-WOJBJXKFSA-N 0 3 402.539 0.994 20 0 HCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670532850 1078666632 /nfs/dbraw/zinc/66/66/32/1078666632.db2.gz RDKRPBYIEMMPQC-PMACEKPBSA-N 0 3 400.523 0.604 20 0 HCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670532851 1078666787 /nfs/dbraw/zinc/66/67/87/1078666787.db2.gz RDKRPBYIEMMPQC-UXHICEINSA-N 0 3 400.523 0.604 20 0 HCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670532852 1078666714 /nfs/dbraw/zinc/66/67/14/1078666714.db2.gz RDKRPBYIEMMPQC-VQTJNVASSA-N 0 3 400.523 0.604 20 0 HCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670532853 1078666516 /nfs/dbraw/zinc/66/65/16/1078666516.db2.gz RDKRPBYIEMMPQC-WOJBJXKFSA-N 0 3 400.523 0.604 20 0 HCADHN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670534040 1078674186 /nfs/dbraw/zinc/67/41/86/1078674186.db2.gz NCHJUUYYNIVYTH-PMACEKPBSA-N 0 3 418.513 0.916 20 0 HCADHN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670534041 1078674133 /nfs/dbraw/zinc/67/41/33/1078674133.db2.gz NCHJUUYYNIVYTH-UXHICEINSA-N 0 3 418.513 0.916 20 0 HCADHN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670534042 1078674101 /nfs/dbraw/zinc/67/41/01/1078674101.db2.gz NCHJUUYYNIVYTH-VQTJNVASSA-N 0 3 418.513 0.916 20 0 HCADHN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670534043 1078674157 /nfs/dbraw/zinc/67/41/57/1078674157.db2.gz NCHJUUYYNIVYTH-WOJBJXKFSA-N 0 3 418.513 0.916 20 0 HCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000670537224 1078693404 /nfs/dbraw/zinc/69/34/04/1078693404.db2.gz DGVVAPCGJWOXBR-IBGZPJMESA-N 0 3 402.539 0.946 20 0 HCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000670537225 1078693251 /nfs/dbraw/zinc/69/32/51/1078693251.db2.gz DGVVAPCGJWOXBR-LJQANCHMSA-N 0 3 402.539 0.946 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC(C)(C)N2CCCCC2)cc1 ZINC000670572598 1078849363 /nfs/dbraw/zinc/84/93/63/1078849363.db2.gz UHFJMFYTIBIWFV-UHFFFAOYSA-N 0 3 424.567 0.733 20 0 HCADHN CC(C)(CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)N1CCCCC1 ZINC000670572756 1078850440 /nfs/dbraw/zinc/85/04/40/1078850440.db2.gz IKQFUBDPFZYOFW-INIZCTEOSA-N 0 3 415.538 0.861 20 0 HCADHN CC(C)(CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)N1CCCCC1 ZINC000670572757 1078850547 /nfs/dbraw/zinc/85/05/47/1078850547.db2.gz IKQFUBDPFZYOFW-MRXNPFEDSA-N 0 3 415.538 0.861 20 0 HCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607805 1078965643 /nfs/dbraw/zinc/96/56/43/1078965643.db2.gz RWMCDXYNJPQXCK-PMACEKPBSA-N 0 3 402.539 0.599 20 0 HCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607806 1078965595 /nfs/dbraw/zinc/96/55/95/1078965595.db2.gz RWMCDXYNJPQXCK-UXHICEINSA-N 0 3 402.539 0.599 20 0 HCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607807 1078965665 /nfs/dbraw/zinc/96/56/65/1078965665.db2.gz RWMCDXYNJPQXCK-VQTJNVASSA-N 0 3 402.539 0.599 20 0 HCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607808 1078965608 /nfs/dbraw/zinc/96/56/08/1078965608.db2.gz RWMCDXYNJPQXCK-WOJBJXKFSA-N 0 3 402.539 0.599 20 0 HCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC000670608181 1078965098 /nfs/dbraw/zinc/96/50/98/1078965098.db2.gz SPVIXJNQNIPBKX-GOSISDBHSA-N 0 3 417.554 0.928 20 0 HCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC000670608182 1078964978 /nfs/dbraw/zinc/96/49/78/1078964978.db2.gz SPVIXJNQNIPBKX-SFHVURJKSA-N 0 3 417.554 0.928 20 0 HCADHN COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000670608247 1078969665 /nfs/dbraw/zinc/96/96/65/1078969665.db2.gz ZNDVDPRQHJWIRV-IBGZPJMESA-N 0 3 418.538 0.277 20 0 HCADHN COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000670608248 1078969360 /nfs/dbraw/zinc/96/93/60/1078969360.db2.gz ZNDVDPRQHJWIRV-LJQANCHMSA-N 0 3 418.538 0.277 20 0 HCADHN Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000670608395 1078969552 /nfs/dbraw/zinc/96/95/52/1078969552.db2.gz RVGDVZJSSVVXEQ-IBGZPJMESA-N 0 3 410.522 0.723 20 0 HCADHN Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000670608396 1078969635 /nfs/dbraw/zinc/96/96/35/1078969635.db2.gz RVGDVZJSSVVXEQ-LJQANCHMSA-N 0 3 410.522 0.723 20 0 HCADHN CCN1CCCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000670623588 1079031297 /nfs/dbraw/zinc/03/12/97/1079031297.db2.gz APIZJXYSZQFYCC-UHFFFAOYSA-N 0 3 401.555 0.475 20 0 HCADHN CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1 ZINC000670623950 1079030405 /nfs/dbraw/zinc/03/04/05/1079030405.db2.gz PLPHANJPPKLGIT-MSOLQXFVSA-N 0 3 424.567 0.726 20 0 HCADHN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1 ZINC000670623951 1079030239 /nfs/dbraw/zinc/03/02/39/1079030239.db2.gz PLPHANJPPKLGIT-QZTJIDSGSA-N 0 3 424.567 0.726 20 0 HCADHN CCN(CC)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1 ZINC000670623954 1079030282 /nfs/dbraw/zinc/03/02/82/1079030282.db2.gz QLDRBIJNHHIEJQ-KRWDZBQOSA-N 0 3 410.540 0.193 20 0 HCADHN CCN(CC)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1 ZINC000670623955 1079030568 /nfs/dbraw/zinc/03/05/68/1079030568.db2.gz QLDRBIJNHHIEJQ-QGZVFWFLSA-N 0 3 410.540 0.193 20 0 HCADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000670623968 1079030923 /nfs/dbraw/zinc/03/09/23/1079030923.db2.gz RZTKZZHJRZDPDG-MSOLQXFVSA-N 0 3 424.567 0.726 20 0 HCADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000670623969 1079030681 /nfs/dbraw/zinc/03/06/81/1079030681.db2.gz RZTKZZHJRZDPDG-QZTJIDSGSA-N 0 3 424.567 0.726 20 0 HCADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000670623970 1079030700 /nfs/dbraw/zinc/03/07/00/1079030700.db2.gz RZTKZZHJRZDPDG-ROUUACIJSA-N 0 3 424.567 0.726 20 0 HCADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000670623971 1079030895 /nfs/dbraw/zinc/03/08/95/1079030895.db2.gz RZTKZZHJRZDPDG-ZWKOTPCHSA-N 0 3 424.567 0.726 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670635537 1079054609 /nfs/dbraw/zinc/05/46/09/1079054609.db2.gz BBJBMNIWWJAKCR-GOSISDBHSA-N 0 3 409.575 0.285 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670635538 1079054702 /nfs/dbraw/zinc/05/47/02/1079054702.db2.gz BBJBMNIWWJAKCR-SFHVURJKSA-N 0 3 409.575 0.285 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670636275 1079061866 /nfs/dbraw/zinc/06/18/66/1079061866.db2.gz ANIUWOLAPGFHNO-UHFFFAOYSA-N 0 3 410.559 0.901 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000670640418 1079078751 /nfs/dbraw/zinc/07/87/51/1079078751.db2.gz NLRAIZCPFZPFEZ-HNNXBMFYSA-N 0 3 407.515 0.348 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000670640419 1079078620 /nfs/dbraw/zinc/07/86/20/1079078620.db2.gz NLRAIZCPFZPFEZ-OAHLLOKOSA-N 0 3 407.515 0.348 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000670642703 1079099211 /nfs/dbraw/zinc/09/92/11/1079099211.db2.gz CPPBRWHVYVVXAC-MOPGFXCFSA-N 0 3 400.523 0.719 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000670642704 1079099221 /nfs/dbraw/zinc/09/92/21/1079099221.db2.gz CPPBRWHVYVVXAC-OALUTQOASA-N 0 3 400.523 0.719 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000670642705 1079099363 /nfs/dbraw/zinc/09/93/63/1079099363.db2.gz CPPBRWHVYVVXAC-RBUKOAKNSA-N 0 3 400.523 0.719 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000670642706 1079099426 /nfs/dbraw/zinc/09/94/26/1079099426.db2.gz CPPBRWHVYVVXAC-RTBURBONSA-N 0 3 400.523 0.719 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CC1 ZINC000670662408 1079154198 /nfs/dbraw/zinc/15/41/98/1079154198.db2.gz VORFQUIMKAICTM-UHFFFAOYSA-N 0 3 413.482 0.373 20 0 HCADHN C[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000670664731 1079171728 /nfs/dbraw/zinc/17/17/28/1079171728.db2.gz CGMJTXNNHGFROF-KRWDZBQOSA-N 0 3 413.526 0.540 20 0 HCADHN C[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000670664732 1079171591 /nfs/dbraw/zinc/17/15/91/1079171591.db2.gz CGMJTXNNHGFROF-QGZVFWFLSA-N 0 3 413.526 0.540 20 0 HCADHN C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000670668438 1079181809 /nfs/dbraw/zinc/18/18/09/1079181809.db2.gz KLPIELUAXNFGPB-INIZCTEOSA-N 0 3 413.526 0.587 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000670668439 1079181488 /nfs/dbraw/zinc/18/14/88/1079181488.db2.gz KLPIELUAXNFGPB-MRXNPFEDSA-N 0 3 413.526 0.587 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000670669947 1079198522 /nfs/dbraw/zinc/19/85/22/1079198522.db2.gz QLECMTAGPHCXJA-OAHLLOKOSA-N 0 3 400.483 0.672 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCCn2cnc3ccccc32)CC1 ZINC000670672726 1079204756 /nfs/dbraw/zinc/20/47/56/1079204756.db2.gz ZNDGAHUGSZYZEZ-GOSISDBHSA-N 0 3 414.554 0.932 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCCn2cnc3ccccc32)CC1 ZINC000670672727 1079204831 /nfs/dbraw/zinc/20/48/31/1079204831.db2.gz ZNDGAHUGSZYZEZ-SFHVURJKSA-N 0 3 414.554 0.932 20 0 HCADHN O=C(NCc1ccccc1CN1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670678547 1079211122 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ZINC000670741700 1078606386 /nfs/dbraw/zinc/60/63/86/1078606386.db2.gz AUJUGLFQFQTQOJ-MRXNPFEDSA-N 0 3 424.567 0.589 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000670742241 1078604258 /nfs/dbraw/zinc/60/42/58/1078604258.db2.gz OSNUHECLZKEWIO-UHFFFAOYSA-N 0 3 424.567 0.685 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000670742263 1078604332 /nfs/dbraw/zinc/60/43/32/1078604332.db2.gz PSKZNCKGOATTLT-UHFFFAOYSA-N 0 3 410.540 0.200 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000670742643 1078611499 /nfs/dbraw/zinc/61/14/99/1078611499.db2.gz FDGZPWFEGYRVIV-CVEARBPZSA-N 0 3 424.567 0.589 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000670742644 1078611299 /nfs/dbraw/zinc/61/12/99/1078611299.db2.gz FDGZPWFEGYRVIV-HOTGVXAUSA-N 0 3 424.567 0.589 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000670742645 1078611756 /nfs/dbraw/zinc/61/17/56/1078611756.db2.gz FDGZPWFEGYRVIV-HZPDHXFCSA-N 0 3 424.567 0.589 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000670742646 1078611674 /nfs/dbraw/zinc/61/16/74/1078611674.db2.gz FDGZPWFEGYRVIV-JKSUJKDBSA-N 0 3 424.567 0.589 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000670742865 1078615930 /nfs/dbraw/zinc/61/59/30/1078615930.db2.gz SMEJRJSJWBLFKB-GOSISDBHSA-N 0 3 422.551 0.439 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000670742866 1078615900 /nfs/dbraw/zinc/61/59/00/1078615900.db2.gz SMEJRJSJWBLFKB-SFHVURJKSA-N 0 3 422.551 0.439 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000670742881 1078615955 /nfs/dbraw/zinc/61/59/55/1078615955.db2.gz UDCDUPNQEGJZCS-AWEZNQCLSA-N 0 3 408.524 0.119 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000670742882 1078615888 /nfs/dbraw/zinc/61/58/88/1078615888.db2.gz UDCDUPNQEGJZCS-CQSZACIVSA-N 0 3 408.524 0.119 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000670742899 1078616659 /nfs/dbraw/zinc/61/66/59/1078616659.db2.gz UWUDOAUPVGHXSX-KRWDZBQOSA-N 0 3 424.567 0.589 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000670742900 1078616646 /nfs/dbraw/zinc/61/66/46/1078616646.db2.gz UWUDOAUPVGHXSX-QGZVFWFLSA-N 0 3 424.567 0.589 20 0 HCADHN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000670743620 1078607650 /nfs/dbraw/zinc/60/76/50/1078607650.db2.gz SMPKLJMXOWKLDW-UHFFFAOYSA-N 0 3 424.567 0.685 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCCCc2ccccc2)CC1 ZINC000670747048 1078644279 /nfs/dbraw/zinc/64/42/79/1078644279.db2.gz OVCULFIWLCMSAU-UHFFFAOYSA-N 0 3 400.523 0.892 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCCc2ccccc2)CC1 ZINC000670747703 1078643656 /nfs/dbraw/zinc/64/36/56/1078643656.db2.gz OVWOIBGNQFUQAO-IBGZPJMESA-N 0 3 400.523 0.891 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCCc2ccccc2)CC1 ZINC000670747704 1078643638 /nfs/dbraw/zinc/64/36/38/1078643638.db2.gz OVWOIBGNQFUQAO-LJQANCHMSA-N 0 3 400.523 0.891 20 0 HCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000670770940 1078683607 /nfs/dbraw/zinc/68/36/07/1078683607.db2.gz PVKJVGBCPJFRDI-DLBZAZTESA-N 0 3 403.527 0.771 20 0 HCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000670770941 1078683452 /nfs/dbraw/zinc/68/34/52/1078683452.db2.gz PVKJVGBCPJFRDI-IAGOWNOFSA-N 0 3 403.527 0.771 20 0 HCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000670770942 1078683547 /nfs/dbraw/zinc/68/35/47/1078683547.db2.gz PVKJVGBCPJFRDI-IRXDYDNUSA-N 0 3 403.527 0.771 20 0 HCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000670770943 1078683652 /nfs/dbraw/zinc/68/36/52/1078683652.db2.gz PVKJVGBCPJFRDI-SJORKVTESA-N 0 3 403.527 0.771 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000670775246 1078688711 /nfs/dbraw/zinc/68/87/11/1078688711.db2.gz RDHRLLBRWFIWEI-INIZCTEOSA-N 0 3 406.531 0.232 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000670775247 1078688761 /nfs/dbraw/zinc/68/87/61/1078688761.db2.gz RDHRLLBRWFIWEI-MRXNPFEDSA-N 0 3 406.531 0.232 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000670781894 1078696252 /nfs/dbraw/zinc/69/62/52/1078696252.db2.gz MPUHHVABLZALGZ-MRXNPFEDSA-N 0 3 410.540 0.544 20 0 HCADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670781916 1078696231 /nfs/dbraw/zinc/69/62/31/1078696231.db2.gz WOBYWLGCJXTOBG-MRXNPFEDSA-N 0 3 408.524 0.154 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)N1CCC(C)CC1 ZINC000670782159 1078695551 /nfs/dbraw/zinc/69/55/51/1078695551.db2.gz IDNRMFNXLJXSKD-INIZCTEOSA-N 0 3 424.567 0.790 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)N1CCC(C)CC1 ZINC000670782160 1078695640 /nfs/dbraw/zinc/69/56/40/1078695640.db2.gz IDNRMFNXLJXSKD-MRXNPFEDSA-N 0 3 424.567 0.790 20 0 HCADHN CCN1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@@H]1C ZINC000670786621 1078701318 /nfs/dbraw/zinc/70/13/18/1078701318.db2.gz KSIYHQJZLZSADZ-DLBZAZTESA-N 0 3 402.543 0.391 20 0 HCADHN CCN1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H]1C ZINC000670786622 1078701389 /nfs/dbraw/zinc/70/13/89/1078701389.db2.gz KSIYHQJZLZSADZ-IAGOWNOFSA-N 0 3 402.543 0.391 20 0 HCADHN CCN1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@@H]1C ZINC000670786623 1078701567 /nfs/dbraw/zinc/70/15/67/1078701567.db2.gz KSIYHQJZLZSADZ-IRXDYDNUSA-N 0 3 402.543 0.391 20 0 HCADHN CCN1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H]1C ZINC000670786624 1078701495 /nfs/dbraw/zinc/70/14/95/1078701495.db2.gz KSIYHQJZLZSADZ-SJORKVTESA-N 0 3 402.543 0.391 20 0 HCADHN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670789773 1078705507 /nfs/dbraw/zinc/70/55/07/1078705507.db2.gz NXDJYOPAKFEFJZ-IBGZPJMESA-N 0 3 414.506 0.376 20 0 HCADHN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670789774 1078705462 /nfs/dbraw/zinc/70/54/62/1078705462.db2.gz NXDJYOPAKFEFJZ-LJQANCHMSA-N 0 3 414.506 0.376 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000670789775 1078705588 /nfs/dbraw/zinc/70/55/88/1078705588.db2.gz PJDCVBNAZQQKGE-IBGZPJMESA-N 0 3 416.522 0.766 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000670789776 1078705531 /nfs/dbraw/zinc/70/55/31/1078705531.db2.gz PJDCVBNAZQQKGE-LJQANCHMSA-N 0 3 416.522 0.766 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)o1 ZINC000670813273 1078735917 /nfs/dbraw/zinc/73/59/17/1078735917.db2.gz FAOVQVYDLROVLQ-IBGZPJMESA-N 0 3 408.543 0.951 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)o1 ZINC000670813274 1078735968 /nfs/dbraw/zinc/73/59/68/1078735968.db2.gz FAOVQVYDLROVLQ-LJQANCHMSA-N 0 3 408.543 0.951 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccnc(N3CCCC3)c2)CC1 ZINC000670815978 1078743165 /nfs/dbraw/zinc/74/31/65/1078743165.db2.gz HXNCWPLFRSWBPY-GOSISDBHSA-N 0 3 416.570 0.688 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccnc(N3CCCC3)c2)CC1 ZINC000670815979 1078743065 /nfs/dbraw/zinc/74/30/65/1078743065.db2.gz HXNCWPLFRSWBPY-SFHVURJKSA-N 0 3 416.570 0.688 20 0 HCADHN CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21)N1CCN(C)CC1 ZINC000670833910 1078775933 /nfs/dbraw/zinc/77/59/33/1078775933.db2.gz QWTNVGXBJZDYOS-PMACEKPBSA-N 0 3 401.555 0.678 20 0 HCADHN CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21)N1CCN(C)CC1 ZINC000670833911 1078776053 /nfs/dbraw/zinc/77/60/53/1078776053.db2.gz QWTNVGXBJZDYOS-UXHICEINSA-N 0 3 401.555 0.678 20 0 HCADHN CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21)N1CCN(C)CC1 ZINC000670833912 1078776010 /nfs/dbraw/zinc/77/60/10/1078776010.db2.gz QWTNVGXBJZDYOS-VQTJNVASSA-N 0 3 401.555 0.678 20 0 HCADHN CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21)N1CCN(C)CC1 ZINC000670833913 1078775760 /nfs/dbraw/zinc/77/57/60/1078775760.db2.gz QWTNVGXBJZDYOS-WOJBJXKFSA-N 0 3 401.555 0.678 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)o1 ZINC000670835652 1078777454 /nfs/dbraw/zinc/77/74/54/1078777454.db2.gz YAGDPVKKZZERLU-UHFFFAOYSA-N 0 3 404.511 0.995 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000670837025 1078784811 /nfs/dbraw/zinc/78/48/11/1078784811.db2.gz USVQSLJYPMWVMX-INIZCTEOSA-N 0 3 421.542 0.738 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000670837026 1078784820 /nfs/dbraw/zinc/78/48/20/1078784820.db2.gz USVQSLJYPMWVMX-MRXNPFEDSA-N 0 3 421.542 0.738 20 0 HCADHN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670837029 1078784682 /nfs/dbraw/zinc/78/46/82/1078784682.db2.gz UVKFWXWAZHNEOD-INIZCTEOSA-N 0 3 419.526 0.348 20 0 HCADHN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670837030 1078784655 /nfs/dbraw/zinc/78/46/55/1078784655.db2.gz UVKFWXWAZHNEOD-MRXNPFEDSA-N 0 3 419.526 0.348 20 0 HCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1F ZINC000670838609 1078787263 /nfs/dbraw/zinc/78/72/63/1078787263.db2.gz OOUFYAADLFJJNF-UHFFFAOYSA-N 0 3 421.517 0.122 20 0 HCADHN CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000670841702 1078797141 /nfs/dbraw/zinc/79/71/41/1078797141.db2.gz KHKITWDGIBQMJY-UHFFFAOYSA-N 0 3 404.511 0.714 20 0 HCADHN O=C(NCCNc1nccc(C(F)(F)F)n1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670858360 1078812883 /nfs/dbraw/zinc/81/28/83/1078812883.db2.gz DPZATIZHQKJYRH-GFCCVEGCSA-N 0 3 400.405 0.624 20 0 HCADHN O=C(NCCNc1nccc(C(F)(F)F)n1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670858361 1078812839 /nfs/dbraw/zinc/81/28/39/1078812839.db2.gz DPZATIZHQKJYRH-LBPRGKRZSA-N 0 3 400.405 0.624 20 0 HCADHN COc1ccc2[nH]cc(CCNC(=O)C(=O)N(C)CCCN3CCN(C)CC3)c2c1 ZINC000670869983 1078822934 /nfs/dbraw/zinc/82/29/34/1078822934.db2.gz RXUWXKBFDSOXNP-UHFFFAOYSA-N 0 3 415.538 0.931 20 0 HCADHN COc1ccc2[nH]cc(CCNC(=O)C(=O)NCCCCN3CCN(C)CC3)c2c1 ZINC000670872714 1078823615 /nfs/dbraw/zinc/82/36/15/1078823615.db2.gz CHMYOVMQDBCTAZ-UHFFFAOYSA-N 0 3 415.538 0.979 20 0 HCADHN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H](CC)CN2CCCC2)CC1 ZINC000670877140 1078826351 /nfs/dbraw/zinc/82/63/51/1078826351.db2.gz AKTQJQVVVGBKDK-HNNXBMFYSA-N 0 3 402.561 0.297 20 0 HCADHN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@H](CC)CN2CCCC2)CC1 ZINC000670877141 1078826313 /nfs/dbraw/zinc/82/63/13/1078826313.db2.gz AKTQJQVVVGBKDK-OAHLLOKOSA-N 0 3 402.561 0.297 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000670884381 1078835325 /nfs/dbraw/zinc/83/53/25/1078835325.db2.gz HFXIPNRSCKHKEZ-KRWDZBQOSA-N 0 3 404.511 0.760 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000670884382 1078835389 /nfs/dbraw/zinc/83/53/89/1078835389.db2.gz HFXIPNRSCKHKEZ-QGZVFWFLSA-N 0 3 404.511 0.760 20 0 HCADHN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000670884480 1078834999 /nfs/dbraw/zinc/83/49/99/1078834999.db2.gz FGQTXTAILHMWPH-KRWDZBQOSA-N 0 3 402.495 0.370 20 0 HCADHN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000670884481 1078834927 /nfs/dbraw/zinc/83/49/27/1078834927.db2.gz FGQTXTAILHMWPH-QGZVFWFLSA-N 0 3 402.495 0.370 20 0 HCADHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cn1 ZINC000670891584 1078840962 /nfs/dbraw/zinc/84/09/62/1078840962.db2.gz FZVKMAVGPKQGPG-UHFFFAOYSA-N 0 3 404.559 0.640 20 0 HCADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)cn2)C[C@H](C)O1 ZINC000670892452 1078842890 /nfs/dbraw/zinc/84/28/90/1078842890.db2.gz BNGFFPQYMLHLJT-FCEWJHQRSA-N 0 3 415.538 0.912 20 0 HCADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)cn2)C[C@@H](C)O1 ZINC000670892453 1078842782 /nfs/dbraw/zinc/84/27/82/1078842782.db2.gz BNGFFPQYMLHLJT-GPMSIDNRSA-N 0 3 415.538 0.912 20 0 HCADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)cn2)C[C@H](C)O1 ZINC000670892454 1078842801 /nfs/dbraw/zinc/84/28/01/1078842801.db2.gz BNGFFPQYMLHLJT-JTDSTZFVSA-N 0 3 415.538 0.912 20 0 HCADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)cn2)C[C@@H](C)O1 ZINC000670892455 1078842883 /nfs/dbraw/zinc/84/28/83/1078842883.db2.gz BNGFFPQYMLHLJT-MDZRGWNJSA-N 0 3 415.538 0.912 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000670893479 1078842196 /nfs/dbraw/zinc/84/21/96/1078842196.db2.gz BZEFMWHQCSPRHO-AEFFLSMTSA-N 0 3 403.527 0.914 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000670893480 1078842188 /nfs/dbraw/zinc/84/21/88/1078842188.db2.gz BZEFMWHQCSPRHO-FUHWJXTLSA-N 0 3 403.527 0.914 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000670893481 1078842075 /nfs/dbraw/zinc/84/20/75/1078842075.db2.gz BZEFMWHQCSPRHO-SJLPKXTDSA-N 0 3 403.527 0.914 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000670893482 1078842133 /nfs/dbraw/zinc/84/21/33/1078842133.db2.gz BZEFMWHQCSPRHO-WMZOPIPTSA-N 0 3 403.527 0.914 20 0 HCADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)cn2)CCO1 ZINC000670893561 1078841761 /nfs/dbraw/zinc/84/17/61/1078841761.db2.gz QWRUFYRTVHRGBU-CRAIPNDOSA-N 0 3 401.511 0.523 20 0 HCADHN C[C@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)cn2)CCO1 ZINC000670893562 1078842090 /nfs/dbraw/zinc/84/20/90/1078842090.db2.gz QWRUFYRTVHRGBU-MAUKXSAKSA-N 0 3 401.511 0.523 20 0 HCADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)cn2)CCO1 ZINC000670893563 1078842183 /nfs/dbraw/zinc/84/21/83/1078842183.db2.gz QWRUFYRTVHRGBU-QAPCUYQASA-N 0 3 401.511 0.523 20 0 HCADHN C[C@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)cn2)CCO1 ZINC000670893564 1078842160 /nfs/dbraw/zinc/84/21/60/1078842160.db2.gz QWRUFYRTVHRGBU-YJBOKZPZSA-N 0 3 401.511 0.523 20 0 HCADHN O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670904893 1078850965 /nfs/dbraw/zinc/85/09/65/1078850965.db2.gz PBRZCRUYZJUWOH-FQEVSTJZSA-N 0 3 400.523 0.736 20 0 HCADHN O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670904894 1078850257 /nfs/dbraw/zinc/85/02/57/1078850257.db2.gz PBRZCRUYZJUWOH-HXUWFJFHSA-N 0 3 400.523 0.736 20 0 HCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1c(F)cccc1F ZINC000670922773 1078855713 /nfs/dbraw/zinc/85/57/13/1078855713.db2.gz WCLPOIASVZPDKP-AWEZNQCLSA-N 0 3 408.449 0.909 20 0 HCADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1c(F)cccc1F ZINC000670922774 1078855725 /nfs/dbraw/zinc/85/57/25/1078855725.db2.gz WCLPOIASVZPDKP-CQSZACIVSA-N 0 3 408.449 0.909 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)cc2)CC1 ZINC000670960077 1078872409 /nfs/dbraw/zinc/87/24/09/1078872409.db2.gz CFHVYLVAUYUNGJ-KRWDZBQOSA-N 0 3 415.538 0.177 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)cc2)CC1 ZINC000670960078 1078872357 /nfs/dbraw/zinc/87/23/57/1078872357.db2.gz CFHVYLVAUYUNGJ-QGZVFWFLSA-N 0 3 415.538 0.177 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCc4c[nH]nc4C3)cc2)CC1 ZINC000670960110 1078872449 /nfs/dbraw/zinc/87/24/49/1078872449.db2.gz HIESOTHMQDYHRZ-UHFFFAOYSA-N 0 3 410.522 0.748 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCc3ccnc(C)n3)cc2)CC1 ZINC000670960313 1078872457 /nfs/dbraw/zinc/87/24/57/1078872457.db2.gz GJDTYNZMZMYVNA-UHFFFAOYSA-N 0 3 410.522 0.855 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N(C)C[C@H](O)C3CC3)cc2)CC1 ZINC000670960316 1078872334 /nfs/dbraw/zinc/87/23/34/1078872334.db2.gz GYWNIIDDHIGBDL-FQEVSTJZSA-N 0 3 402.539 0.670 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C3CC3)cc2)CC1 ZINC000670960317 1078872378 /nfs/dbraw/zinc/87/23/78/1078872378.db2.gz GYWNIIDDHIGBDL-HXUWFJFHSA-N 0 3 402.539 0.670 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCc3cc(C)ncn3)cc2)CC1 ZINC000670960368 1078872022 /nfs/dbraw/zinc/87/20/22/1078872022.db2.gz MQADDUCHXAUSHZ-UHFFFAOYSA-N 0 3 410.522 0.855 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCCOC3)cc2)CC1 ZINC000670960412 1078872116 /nfs/dbraw/zinc/87/21/16/1078872116.db2.gz YGBSFSMPOZAYGM-FQEVSTJZSA-N 0 3 402.539 0.983 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCCOC3)cc2)CC1 ZINC000670960413 1078872000 /nfs/dbraw/zinc/87/20/00/1078872000.db2.gz YGBSFSMPOZAYGM-HXUWFJFHSA-N 0 3 402.539 0.983 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCn4cc(C)nc4C3)cc2)CC1 ZINC000670960468 1078872098 /nfs/dbraw/zinc/87/20/98/1078872098.db2.gz IKRVUHUMAWGIJQ-UHFFFAOYSA-N 0 3 424.549 0.988 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCCCn3ccnn3)cc2)CC1 ZINC000670960496 1078872072 /nfs/dbraw/zinc/87/20/72/1078872072.db2.gz NOMJDRBPKXUTGA-UHFFFAOYSA-N 0 3 413.526 0.238 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000670960516 1078872396 /nfs/dbraw/zinc/87/23/96/1078872396.db2.gz REHRPADXPRXYAH-UHFFFAOYSA-N 0 3 410.522 0.748 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000670960517 1078872321 /nfs/dbraw/zinc/87/23/21/1078872321.db2.gz RERDHNMIAGIALG-KRWDZBQOSA-N 0 3 415.538 0.177 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000670960518 1078872432 /nfs/dbraw/zinc/87/24/32/1078872432.db2.gz RERDHNMIAGIALG-QGZVFWFLSA-N 0 3 415.538 0.177 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCc2ccnc(C)n2)CC1 ZINC000670960601 1078872064 /nfs/dbraw/zinc/87/20/64/1078872064.db2.gz JWEMLUGRCWQZDG-UHFFFAOYSA-N 0 3 410.522 0.855 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCc2cc(C)ncn2)CC1 ZINC000670960618 1078872030 /nfs/dbraw/zinc/87/20/30/1078872030.db2.gz MUGYIQRLIXBMNJ-UHFFFAOYSA-N 0 3 410.522 0.855 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CCCOC2)CC1 ZINC000670960666 1078870738 /nfs/dbraw/zinc/87/07/38/1078870738.db2.gz VOQRWWZCRPQTPO-GOSISDBHSA-N 0 3 402.539 0.983 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000670960667 1078870636 /nfs/dbraw/zinc/87/06/36/1078870636.db2.gz VOQRWWZCRPQTPO-SFHVURJKSA-N 0 3 402.539 0.983 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)C[C@H](O)C2CC2)CC1 ZINC000670960813 1078870718 /nfs/dbraw/zinc/87/07/18/1078870718.db2.gz WIABWFKBBKULJD-FQEVSTJZSA-N 0 3 402.539 0.670 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC1 ZINC000670960814 1078870752 /nfs/dbraw/zinc/87/07/52/1078870752.db2.gz WIABWFKBBKULJD-HXUWFJFHSA-N 0 3 402.539 0.670 20 0 HCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCn3cc(C)nc3C2)CC1 ZINC000670960815 1078870616 /nfs/dbraw/zinc/87/06/16/1078870616.db2.gz WKNCSCXAJDDZNI-UHFFFAOYSA-N 0 3 424.549 0.988 20 0 HCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670977999 1078881632 /nfs/dbraw/zinc/88/16/32/1078881632.db2.gz VBSHFGCUCNXPFG-IBGZPJMESA-N 0 3 409.490 0.661 20 0 HCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670978000 1078881921 /nfs/dbraw/zinc/88/19/21/1078881921.db2.gz VBSHFGCUCNXPFG-LJQANCHMSA-N 0 3 409.490 0.661 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC1 ZINC000670983283 1078886179 /nfs/dbraw/zinc/88/61/79/1078886179.db2.gz HYIATHNUJHWXCZ-UHFFFAOYSA-N 0 3 421.586 0.428 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000670983536 1078885534 /nfs/dbraw/zinc/88/55/34/1078885534.db2.gz XAQHZJYGXZFPAD-UHFFFAOYSA-N 0 3 410.540 0.547 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000670983548 1078886551 /nfs/dbraw/zinc/88/65/51/1078886551.db2.gz ZTYOUSYBESPUHM-UHFFFAOYSA-N 0 3 422.551 0.691 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000670983637 1078885635 /nfs/dbraw/zinc/88/56/35/1078885635.db2.gz VKNJRJSXLYKSEX-INIZCTEOSA-N 0 3 401.511 0.329 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000670983638 1078885522 /nfs/dbraw/zinc/88/55/22/1078885522.db2.gz VKNJRJSXLYKSEX-MRXNPFEDSA-N 0 3 401.511 0.329 20 0 HCADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000670983767 1078885555 /nfs/dbraw/zinc/88/55/55/1078885555.db2.gz QUFFDCKFPUURIG-IBGZPJMESA-N 0 3 416.570 0.556 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000670983768 1078885603 /nfs/dbraw/zinc/88/56/03/1078885603.db2.gz QUFFDCKFPUURIG-LJQANCHMSA-N 0 3 416.570 0.556 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000670984134 1078887263 /nfs/dbraw/zinc/88/72/63/1078887263.db2.gz QUOCDMDIHIQTES-HNNXBMFYSA-N 0 3 410.540 0.200 20 0 HCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000670984135 1078887123 /nfs/dbraw/zinc/88/71/23/1078887123.db2.gz QUOCDMDIHIQTES-OAHLLOKOSA-N 0 3 410.540 0.200 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000670984458 1078886535 /nfs/dbraw/zinc/88/65/35/1078886535.db2.gz ZQXJIZKKMYMDKT-INIZCTEOSA-N 0 3 422.551 0.691 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000670984459 1078886712 /nfs/dbraw/zinc/88/67/12/1078886712.db2.gz ZQXJIZKKMYMDKT-MRXNPFEDSA-N 0 3 422.551 0.691 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000670984672 1078886192 /nfs/dbraw/zinc/88/61/92/1078886192.db2.gz QWJGVYLZCZBVOL-HNNXBMFYSA-N 0 3 410.540 0.547 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000670984673 1078886099 /nfs/dbraw/zinc/88/60/99/1078886099.db2.gz QWJGVYLZCZBVOL-OAHLLOKOSA-N 0 3 410.540 0.547 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000670984804 1078886149 /nfs/dbraw/zinc/88/61/49/1078886149.db2.gz MGFMJOJCIPXOST-CVEARBPZSA-N 0 3 401.511 0.329 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000670984805 1078886021 /nfs/dbraw/zinc/88/60/21/1078886021.db2.gz MGFMJOJCIPXOST-HOTGVXAUSA-N 0 3 401.511 0.329 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000670984806 1078886079 /nfs/dbraw/zinc/88/60/79/1078886079.db2.gz MGFMJOJCIPXOST-HZPDHXFCSA-N 0 3 401.511 0.329 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000670984807 1078886215 /nfs/dbraw/zinc/88/62/15/1078886215.db2.gz MGFMJOJCIPXOST-JKSUJKDBSA-N 0 3 401.511 0.329 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000670984874 1078886122 /nfs/dbraw/zinc/88/61/22/1078886122.db2.gz WXTCTNIIERVDAY-KRWDZBQOSA-N 0 3 402.543 0.298 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000670984875 1078886051 /nfs/dbraw/zinc/88/60/51/1078886051.db2.gz WXTCTNIIERVDAY-QGZVFWFLSA-N 0 3 402.543 0.298 20 0 HCADHN C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670985246 1078887171 /nfs/dbraw/zinc/88/71/71/1078887171.db2.gz KQIFKHOYSHFSNG-DOTOQJQBSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670985247 1078887231 /nfs/dbraw/zinc/88/72/31/1078887231.db2.gz KQIFKHOYSHFSNG-NVXWUHKLSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670985253 1078887258 /nfs/dbraw/zinc/88/72/58/1078887258.db2.gz KQIFKHOYSHFSNG-RDJZCZTQSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670985254 1078887604 /nfs/dbraw/zinc/88/76/04/1078887604.db2.gz KQIFKHOYSHFSNG-WBVHZDCISA-N 0 3 410.540 0.848 20 0 HCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000670985474 1078887249 /nfs/dbraw/zinc/88/72/49/1078887249.db2.gz WOTNNSVSDSAAAY-GOSISDBHSA-N 0 3 424.567 0.179 20 0 HCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000670985475 1078887140 /nfs/dbraw/zinc/88/71/40/1078887140.db2.gz WOTNNSVSDSAAAY-SFHVURJKSA-N 0 3 424.567 0.179 20 0 HCADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670985782 1078887081 /nfs/dbraw/zinc/88/70/81/1078887081.db2.gz JGJJSHSLYAXJGC-MOPGFXCFSA-N 0 3 402.543 0.700 20 0 HCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670985783 1078887212 /nfs/dbraw/zinc/88/72/12/1078887212.db2.gz JGJJSHSLYAXJGC-OALUTQOASA-N 0 3 402.543 0.700 20 0 HCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670985784 1078887188 /nfs/dbraw/zinc/88/71/88/1078887188.db2.gz JGJJSHSLYAXJGC-RBUKOAKNSA-N 0 3 402.543 0.700 20 0 HCADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670985785 1078887097 /nfs/dbraw/zinc/88/70/97/1078887097.db2.gz JGJJSHSLYAXJGC-RTBURBONSA-N 0 3 402.543 0.700 20 0 HCADHN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670986904 1078886685 /nfs/dbraw/zinc/88/66/85/1078886685.db2.gz JPJCUJXOYVQRTB-DOTOQJQBSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670986905 1078886574 /nfs/dbraw/zinc/88/65/74/1078886574.db2.gz JPJCUJXOYVQRTB-NVXWUHKLSA-N 0 3 410.540 0.848 20 0 HCADHN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670986906 1078886653 /nfs/dbraw/zinc/88/66/53/1078886653.db2.gz JPJCUJXOYVQRTB-RDJZCZTQSA-N 0 3 410.540 0.848 20 0 HCADHN Cn1c2ncn(CCN(Cc3ccccc3)[C@]3(CO)CCOC3)c2c(=O)n(C)c1=O ZINC000670987820 1078888547 /nfs/dbraw/zinc/88/85/47/1078888547.db2.gz IIUXMDWXADDLMY-NRFANRHFSA-N 0 3 413.478 0.087 20 0 HCADHN Cn1c2ncn(CCN(Cc3ccccc3)[C@@]3(CO)CCOC3)c2c(=O)n(C)c1=O ZINC000670987821 1078888650 /nfs/dbraw/zinc/88/86/50/1078888650.db2.gz IIUXMDWXADDLMY-OAQYLSRUSA-N 0 3 413.478 0.087 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670990583 1078890207 /nfs/dbraw/zinc/89/02/07/1078890207.db2.gz CRKKEOFOTDXDGH-NRFANRHFSA-N 0 3 414.550 0.874 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670990584 1078890170 /nfs/dbraw/zinc/89/01/70/1078890170.db2.gz CRKKEOFOTDXDGH-OAQYLSRUSA-N 0 3 414.550 0.874 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000670990619 1078890185 /nfs/dbraw/zinc/89/01/85/1078890185.db2.gz LKYMMLUJTFNBRI-PMACEKPBSA-N 0 3 401.507 0.957 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000670990620 1078889983 /nfs/dbraw/zinc/88/99/83/1078889983.db2.gz LKYMMLUJTFNBRI-UXHICEINSA-N 0 3 401.507 0.957 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000670990621 1078890219 /nfs/dbraw/zinc/89/02/19/1078890219.db2.gz LKYMMLUJTFNBRI-VQTJNVASSA-N 0 3 401.507 0.957 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000670990622 1078890254 /nfs/dbraw/zinc/89/02/54/1078890254.db2.gz LKYMMLUJTFNBRI-WOJBJXKFSA-N 0 3 401.507 0.957 20 0 HCADHN Cc1nccnc1N1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000670990762 1078889970 /nfs/dbraw/zinc/88/99/70/1078889970.db2.gz RQCKYSIZJJDBGV-UHFFFAOYSA-N 0 3 422.533 0.998 20 0 HCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCC(OCCCO)CC1 ZINC000670990971 1078890561 /nfs/dbraw/zinc/89/05/61/1078890561.db2.gz QWTAMTGPUBYWPT-UHFFFAOYSA-N 0 3 403.523 0.941 20 0 HCADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000670995924 1078893424 /nfs/dbraw/zinc/89/34/24/1078893424.db2.gz NGMGNRSHTCNJMM-PMACEKPBSA-N 0 3 401.555 0.692 20 0 HCADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000670995925 1078893864 /nfs/dbraw/zinc/89/38/64/1078893864.db2.gz NGMGNRSHTCNJMM-UXHICEINSA-N 0 3 401.555 0.692 20 0 HCADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000670995926 1078893896 /nfs/dbraw/zinc/89/38/96/1078893896.db2.gz NGMGNRSHTCNJMM-VQTJNVASSA-N 0 3 401.555 0.692 20 0 HCADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000670995927 1078893964 /nfs/dbraw/zinc/89/39/64/1078893964.db2.gz NGMGNRSHTCNJMM-WOJBJXKFSA-N 0 3 401.555 0.692 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000670997428 1078894395 /nfs/dbraw/zinc/89/43/95/1078894395.db2.gz HTFPRXFKCWAJAN-HNNXBMFYSA-N 0 3 410.540 0.689 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000670997429 1078894466 /nfs/dbraw/zinc/89/44/66/1078894466.db2.gz HTFPRXFKCWAJAN-OAHLLOKOSA-N 0 3 410.540 0.689 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000670997444 1078894424 /nfs/dbraw/zinc/89/44/24/1078894424.db2.gz JQKYKFUURKHSAE-INIZCTEOSA-N 0 3 422.551 0.833 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000670997445 1078894385 /nfs/dbraw/zinc/89/43/85/1078894385.db2.gz JQKYKFUURKHSAE-MRXNPFEDSA-N 0 3 422.551 0.833 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000670997696 1078894829 /nfs/dbraw/zinc/89/48/29/1078894829.db2.gz ZQOWYDLHJZPTFA-CVEARBPZSA-N 0 3 401.511 0.471 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000670997697 1078894939 /nfs/dbraw/zinc/89/49/39/1078894939.db2.gz ZQOWYDLHJZPTFA-HOTGVXAUSA-N 0 3 401.511 0.471 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000670997698 1078894790 /nfs/dbraw/zinc/89/47/90/1078894790.db2.gz ZQOWYDLHJZPTFA-HZPDHXFCSA-N 0 3 401.511 0.471 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000670997699 1078894865 /nfs/dbraw/zinc/89/48/65/1078894865.db2.gz ZQOWYDLHJZPTFA-JKSUJKDBSA-N 0 3 401.511 0.471 20 0 HCADHN CCOC1CC(CNC(=O)C(=O)N[C@H](C)CN2CCCCC2)(N2CCOCC2)C1 ZINC000670997860 1078894735 /nfs/dbraw/zinc/89/47/35/1078894735.db2.gz HQRYPRKJBCZCCG-MPQSDHOMSA-N 0 3 410.559 0.363 20 0 HCADHN CCOC1CC(CNC(=O)C(=O)N[C@@H](C)CN2CCCCC2)(N2CCOCC2)C1 ZINC000670997861 1078894895 /nfs/dbraw/zinc/89/48/95/1078894895.db2.gz HQRYPRKJBCZCCG-XPQZIERPSA-N 0 3 410.559 0.363 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000670997917 1078894485 /nfs/dbraw/zinc/89/44/85/1078894485.db2.gz LTGFJUZHJMKOPK-INIZCTEOSA-N 0 3 422.551 0.833 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000670997919 1078894824 /nfs/dbraw/zinc/89/48/24/1078894824.db2.gz LTGFJUZHJMKOPK-MRXNPFEDSA-N 0 3 422.551 0.833 20 0 HCADHN Cc1cc(CNC(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)ncn1 ZINC000671018638 1078930701 /nfs/dbraw/zinc/93/07/01/1078930701.db2.gz AZSVNULTWGYZNX-FQEVSTJZSA-N 0 3 410.522 0.896 20 0 HCADHN Cc1cc(CNC(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)ncn1 ZINC000671018639 1078930558 /nfs/dbraw/zinc/93/05/58/1078930558.db2.gz AZSVNULTWGYZNX-HXUWFJFHSA-N 0 3 410.522 0.896 20 0 HCADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000671018681 1078930492 /nfs/dbraw/zinc/93/04/92/1078930492.db2.gz HFWXMWNCXCBLIH-HKUYNNGSSA-N 0 3 415.538 0.218 20 0 HCADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000671018682 1078930608 /nfs/dbraw/zinc/93/06/08/1078930608.db2.gz HFWXMWNCXCBLIH-IEBWSBKVSA-N 0 3 415.538 0.218 20 0 HCADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000671018683 1078930807 /nfs/dbraw/zinc/93/08/07/1078930807.db2.gz HFWXMWNCXCBLIH-MJGOQNOKSA-N 0 3 415.538 0.218 20 0 HCADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000671018684 1078930756 /nfs/dbraw/zinc/93/07/56/1078930756.db2.gz HFWXMWNCXCBLIH-PKOBYXMFSA-N 0 3 415.538 0.218 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N2CCc3c[nH]nc3C2)[C@H](c2ccccc2)C1 ZINC000671018832 1078929885 /nfs/dbraw/zinc/92/98/85/1078929885.db2.gz ZWRAGONXHNMUOC-FQEVSTJZSA-N 0 3 410.522 0.789 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)N2CCc3c[nH]nc3C2)[C@@H](c2ccccc2)C1 ZINC000671018833 1078929562 /nfs/dbraw/zinc/92/95/62/1078929562.db2.gz ZWRAGONXHNMUOC-HXUWFJFHSA-N 0 3 410.522 0.789 20 0 HCADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000671018986 1078932871 /nfs/dbraw/zinc/93/28/71/1078932871.db2.gz RKFWJNQGVDSOMX-PMACEKPBSA-N 0 3 402.539 0.711 20 0 HCADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000671018987 1078933039 /nfs/dbraw/zinc/93/30/39/1078933039.db2.gz RKFWJNQGVDSOMX-UXHICEINSA-N 0 3 402.539 0.711 20 0 HCADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000671018988 1078932788 /nfs/dbraw/zinc/93/27/88/1078932788.db2.gz RKFWJNQGVDSOMX-VQTJNVASSA-N 0 3 402.539 0.711 20 0 HCADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000671018989 1078932923 /nfs/dbraw/zinc/93/29/23/1078932923.db2.gz RKFWJNQGVDSOMX-WOJBJXKFSA-N 0 3 402.539 0.711 20 0 HCADHN C[C@H](NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000671019428 1078935608 /nfs/dbraw/zinc/93/56/08/1078935608.db2.gz UFUXIINLEZFVBT-AZUAARDMSA-N 0 3 417.554 0.150 20 0 HCADHN C[C@H](NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000671019429 1078935505 /nfs/dbraw/zinc/93/55/05/1078935505.db2.gz UFUXIINLEZFVBT-ICSRJNTNSA-N 0 3 417.554 0.150 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000671019430 1078935476 /nfs/dbraw/zinc/93/54/76/1078935476.db2.gz UFUXIINLEZFVBT-QUCCMNQESA-N 0 3 417.554 0.150 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000671019431 1078935645 /nfs/dbraw/zinc/93/56/45/1078935645.db2.gz UFUXIINLEZFVBT-UYAOXDASSA-N 0 3 417.554 0.150 20 0 HCADHN C[C@H]1COCCCN1C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000671019507 1078934806 /nfs/dbraw/zinc/93/48/06/1078934806.db2.gz ILIHRWHLQUQOLO-IBGZPJMESA-N 0 3 402.539 0.948 20 0 HCADHN C[C@@H]1COCCCN1C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000671019508 1078934648 /nfs/dbraw/zinc/93/46/48/1078934648.db2.gz ILIHRWHLQUQOLO-LJQANCHMSA-N 0 3 402.539 0.948 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NC[C@@H]1CCCOC1 ZINC000671019513 1078934730 /nfs/dbraw/zinc/93/47/30/1078934730.db2.gz IUEWPWPZERNKIE-FQEVSTJZSA-N 0 3 402.539 0.853 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NC[C@H]1CCCOC1 ZINC000671019514 1078934841 /nfs/dbraw/zinc/93/48/41/1078934841.db2.gz IUEWPWPZERNKIE-HXUWFJFHSA-N 0 3 402.539 0.853 20 0 HCADHN Cc1cc(CNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)ncn1 ZINC000671019533 1078934509 /nfs/dbraw/zinc/93/45/09/1078934509.db2.gz NMSZGYYYOHVXCZ-UHFFFAOYSA-N 0 3 410.522 0.725 20 0 HCADHN COC[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000671019549 1078934445 /nfs/dbraw/zinc/93/44/45/1078934445.db2.gz OYXWMDIFCCVQFZ-FQEVSTJZSA-N 0 3 402.539 0.948 20 0 HCADHN COC[C@H]1CCCN1C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000671019550 1078934361 /nfs/dbraw/zinc/93/43/61/1078934361.db2.gz OYXWMDIFCCVQFZ-HXUWFJFHSA-N 0 3 402.539 0.948 20 0 HCADHN CCN(CC(C)(C)O)C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000671019567 1078934917 /nfs/dbraw/zinc/93/49/17/1078934917.db2.gz RUIBAPBZRCRRMU-UHFFFAOYSA-N 0 3 404.555 0.930 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000671019570 1078934767 /nfs/dbraw/zinc/93/47/67/1078934767.db2.gz SNEHSLDCUOSEPD-HSZRJFAPSA-N 0 3 414.550 0.950 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000671019571 1078934473 /nfs/dbraw/zinc/93/44/73/1078934473.db2.gz SNEHSLDCUOSEPD-QHCPKHFHSA-N 0 3 414.550 0.950 20 0 HCADHN Cc1cn2c(n1)CN(C(=O)C(=O)NCCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000671019575 1078934619 /nfs/dbraw/zinc/93/46/19/1078934619.db2.gz UVTRIFVDGRZENQ-UHFFFAOYSA-N 0 3 424.549 0.858 20 0 HCADHN Cc1nccc(CNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000671019584 1078934966 /nfs/dbraw/zinc/93/49/66/1078934966.db2.gz YVDNJEWPGVYLEP-UHFFFAOYSA-N 0 3 410.522 0.725 20 0 HCADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000671019623 1078934551 /nfs/dbraw/zinc/93/45/51/1078934551.db2.gz JKRYTFLGRSXMFU-GOSISDBHSA-N 0 3 415.538 0.048 20 0 HCADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000671019624 1078935429 /nfs/dbraw/zinc/93/54/29/1078935429.db2.gz JKRYTFLGRSXMFU-SFHVURJKSA-N 0 3 415.538 0.048 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CCc2c[nH]nc2C1 ZINC000671019651 1078934125 /nfs/dbraw/zinc/93/41/25/1078934125.db2.gz NVSWWPXTAWEZHG-UHFFFAOYSA-N 0 3 410.522 0.619 20 0 HCADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000671019982 1078937936 /nfs/dbraw/zinc/93/79/36/1078937936.db2.gz XQCZUNNMECPXLV-INIZCTEOSA-N 0 3 408.524 0.298 20 0 HCADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000671019983 1078938037 /nfs/dbraw/zinc/93/80/37/1078938037.db2.gz XQCZUNNMECPXLV-MRXNPFEDSA-N 0 3 408.524 0.298 20 0 HCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCCCN2CCOCC2)C1 ZINC000671032128 1078967816 /nfs/dbraw/zinc/96/78/16/1078967816.db2.gz ZXUJGPMWKWWJGX-FQEVSTJZSA-N 0 3 402.539 0.948 20 0 HCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCOCC2)C1 ZINC000671032129 1078967308 /nfs/dbraw/zinc/96/73/08/1078967308.db2.gz ZXUJGPMWKWWJGX-HXUWFJFHSA-N 0 3 402.539 0.948 20 0 HCADHN O=C(NCCCCN1CCOCC1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000671032312 1078966785 /nfs/dbraw/zinc/96/67/85/1078966785.db2.gz PRGRWENBWZVBMZ-UHFFFAOYSA-N 0 3 403.527 0.391 20 0 HCADHN COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000671032936 1078966217 /nfs/dbraw/zinc/96/62/17/1078966217.db2.gz GOCVJHHACGPEAN-KRWDZBQOSA-N 0 3 404.511 0.779 20 0 HCADHN COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000671032938 1078966093 /nfs/dbraw/zinc/96/60/93/1078966093.db2.gz GOCVJHHACGPEAN-QGZVFWFLSA-N 0 3 404.511 0.779 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000671032976 1078967425 /nfs/dbraw/zinc/96/74/25/1078967425.db2.gz WODPGFPZRNXHDV-UHFFFAOYSA-N 0 3 422.501 0.495 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1 ZINC000671032979 1078968002 /nfs/dbraw/zinc/96/80/02/1078968002.db2.gz WZFZBKHDSNIJPT-UHFFFAOYSA-N 0 3 401.555 0.699 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671033219 1078971832 /nfs/dbraw/zinc/97/18/32/1078971832.db2.gz UOXGNBZJCFSHMT-KRWDZBQOSA-N 0 3 423.508 0.804 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671033220 1078970058 /nfs/dbraw/zinc/97/00/58/1078970058.db2.gz UOXGNBZJCFSHMT-QGZVFWFLSA-N 0 3 423.508 0.804 20 0 HCADHN Cc1ccc(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)c(N2CCCC2)n1 ZINC000671033255 1078970464 /nfs/dbraw/zinc/97/04/64/1078970464.db2.gz BPJMDGXGHAVSQT-UHFFFAOYSA-N 0 3 416.570 0.750 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671033276 1078971052 /nfs/dbraw/zinc/97/10/52/1078971052.db2.gz HBRPQSINLHUSMI-UHFFFAOYSA-N 0 3 401.511 0.006 20 0 HCADHN COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000671033277 1078971342 /nfs/dbraw/zinc/97/13/42/1078971342.db2.gz HHBFGXGVVJHCTM-GOSISDBHSA-N 0 3 404.511 0.779 20 0 HCADHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000671033278 1078971022 /nfs/dbraw/zinc/97/10/22/1078971022.db2.gz HHBFGXGVVJHCTM-SFHVURJKSA-N 0 3 404.511 0.779 20 0 HCADHN COc1ccc(CN(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)c(OC)c1 ZINC000671033299 1078971389 /nfs/dbraw/zinc/97/13/89/1078971389.db2.gz MPFVSWAHURFEBD-UHFFFAOYSA-N 0 3 406.527 0.806 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000671033321 1078971271 /nfs/dbraw/zinc/97/12/71/1078971271.db2.gz SJXGZAMZNJDREQ-HSZRJFAPSA-N 0 3 414.550 0.831 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000671033322 1078971177 /nfs/dbraw/zinc/97/11/77/1078971177.db2.gz SJXGZAMZNJDREQ-QHCPKHFHSA-N 0 3 414.550 0.831 20 0 HCADHN COc1ccc(CN(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)cc1OC ZINC000671033334 1078971097 /nfs/dbraw/zinc/97/10/97/1078971097.db2.gz VFLNMPCYWBHYHA-UHFFFAOYSA-N 0 3 406.527 0.806 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCCN(c3ccccc3)CC2)CC1 ZINC000671033345 1078971233 /nfs/dbraw/zinc/97/12/33/1078971233.db2.gz YJQNKHKZZYDQQC-UHFFFAOYSA-N 0 3 401.555 0.869 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671033509 1078970143 /nfs/dbraw/zinc/97/01/43/1078970143.db2.gz CBPNWDNTLSZZTI-UHFFFAOYSA-N 0 3 407.584 0.536 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000671033574 1078970190 /nfs/dbraw/zinc/97/01/90/1078970190.db2.gz HABRLWUEENCHCG-FQEVSTJZSA-N 0 3 412.538 0.884 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000671033576 1078970333 /nfs/dbraw/zinc/97/03/33/1078970333.db2.gz HABRLWUEENCHCG-HXUWFJFHSA-N 0 3 412.538 0.884 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000671033693 1078967469 /nfs/dbraw/zinc/96/74/69/1078967469.db2.gz AUEAKNLBAQKEDG-KRWDZBQOSA-N 0 3 419.501 0.191 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000671033694 1078967621 /nfs/dbraw/zinc/96/76/21/1078967621.db2.gz AUEAKNLBAQKEDG-QGZVFWFLSA-N 0 3 419.501 0.191 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671033704 1078967348 /nfs/dbraw/zinc/96/73/48/1078967348.db2.gz DYBZWYXWXBMCDX-GOSISDBHSA-N 0 3 407.559 0.038 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671033705 1078967867 /nfs/dbraw/zinc/96/78/67/1078967867.db2.gz DYBZWYXWXBMCDX-SFHVURJKSA-N 0 3 407.559 0.038 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000671033716 1078967745 /nfs/dbraw/zinc/96/77/45/1078967745.db2.gz HQZOXMSFGOOUTI-UHFFFAOYSA-N 0 3 407.584 0.977 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000671033717 1078967374 /nfs/dbraw/zinc/96/73/74/1078967374.db2.gz IKJPNSGRSMBOLL-IBGZPJMESA-N 0 3 406.502 0.949 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000671033718 1078967977 /nfs/dbraw/zinc/96/79/77/1078967977.db2.gz IKJPNSGRSMBOLL-LJQANCHMSA-N 0 3 406.502 0.949 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000671033721 1078968464 /nfs/dbraw/zinc/96/84/64/1078968464.db2.gz KASSQSHEHRTQGS-FQEVSTJZSA-N 0 3 415.582 0.863 20 0 HCADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)C2 ZINC000671033760 1078964132 /nfs/dbraw/zinc/96/41/32/1078964132.db2.gz WKNGCJDXOOVIIA-KRWDZBQOSA-N 0 3 404.511 0.259 20 0 HCADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)C2 ZINC000671033761 1078964432 /nfs/dbraw/zinc/96/44/32/1078964432.db2.gz WKNGCJDXOOVIIA-QGZVFWFLSA-N 0 3 404.511 0.259 20 0 HCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671033769 1078964316 /nfs/dbraw/zinc/96/43/16/1078964316.db2.gz ZLNXZVKHQTUVOU-UHFFFAOYSA-N 0 3 401.555 0.475 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2c(F)cccc2F)CC1 ZINC000671035801 1078972559 /nfs/dbraw/zinc/97/25/59/1078972559.db2.gz MPLAWUBJDXSIDN-UHFFFAOYSA-N 0 3 410.465 0.636 20 0 HCADHN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671038705 1078974662 /nfs/dbraw/zinc/97/46/62/1078974662.db2.gz DGUYCUHCTWXKHA-PMACEKPBSA-N 0 3 400.523 0.777 20 0 HCADHN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671038706 1078974615 /nfs/dbraw/zinc/97/46/15/1078974615.db2.gz DGUYCUHCTWXKHA-UXHICEINSA-N 0 3 400.523 0.777 20 0 HCADHN O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671038707 1078974456 /nfs/dbraw/zinc/97/44/56/1078974456.db2.gz DGUYCUHCTWXKHA-VQTJNVASSA-N 0 3 400.523 0.777 20 0 HCADHN O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671038708 1078974708 /nfs/dbraw/zinc/97/47/08/1078974708.db2.gz DGUYCUHCTWXKHA-WOJBJXKFSA-N 0 3 400.523 0.777 20 0 HCADHN CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000671041556 1078979403 /nfs/dbraw/zinc/97/94/03/1078979403.db2.gz FPFVSFSEUYHCSM-KRWDZBQOSA-N 0 3 417.510 0.250 20 0 HCADHN CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000671041558 1078979318 /nfs/dbraw/zinc/97/93/18/1078979318.db2.gz FPFVSFSEUYHCSM-QGZVFWFLSA-N 0 3 417.510 0.250 20 0 HCADHN CC(C)Oc1ccc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000671041756 1078980478 /nfs/dbraw/zinc/98/04/78/1078980478.db2.gz MOSCYFQGXZMHAZ-KRWDZBQOSA-N 0 3 419.526 0.544 20 0 HCADHN CC(C)Oc1ccc(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000671041759 1078980983 /nfs/dbraw/zinc/98/09/83/1078980983.db2.gz MOSCYFQGXZMHAZ-QGZVFWFLSA-N 0 3 419.526 0.544 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cccnc2OC(C)C)CC1 ZINC000671042050 1078980539 /nfs/dbraw/zinc/98/05/39/1078980539.db2.gz AMGGGRMYBTZMQS-KRWDZBQOSA-N 0 3 405.543 0.875 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cccnc2OC(C)C)CC1 ZINC000671042053 1078980698 /nfs/dbraw/zinc/98/06/98/1078980698.db2.gz AMGGGRMYBTZMQS-QGZVFWFLSA-N 0 3 405.543 0.875 20 0 HCADHN CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000671043973 1078982570 /nfs/dbraw/zinc/98/25/70/1078982570.db2.gz MUHFVZOLUGCNMY-KRWDZBQOSA-N 0 3 417.510 0.250 20 0 HCADHN CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000671043976 1078982856 /nfs/dbraw/zinc/98/28/56/1078982856.db2.gz MUHFVZOLUGCNMY-QGZVFWFLSA-N 0 3 417.510 0.250 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccnc2OC(C)C)CC1 ZINC000671044571 1078983423 /nfs/dbraw/zinc/98/34/23/1078983423.db2.gz WSGFQFJUVRLTOD-UHFFFAOYSA-N 0 3 419.526 0.498 20 0 HCADHN CC(C)Oc1ncccc1CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000671044805 1078982905 /nfs/dbraw/zinc/98/29/05/1078982905.db2.gz RVDYIXVDBUHJRY-KRWDZBQOSA-N 0 3 419.526 0.544 20 0 HCADHN CC(C)Oc1ncccc1CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000671044807 1078982671 /nfs/dbraw/zinc/98/26/71/1078982671.db2.gz RVDYIXVDBUHJRY-QGZVFWFLSA-N 0 3 419.526 0.544 20 0 HCADHN CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000671047115 1078988075 /nfs/dbraw/zinc/98/80/75/1078988075.db2.gz MZCLOHXKGMENCL-UHFFFAOYSA-N 0 3 417.510 0.252 20 0 HCADHN COCCOc1ccc([C@H](C)NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1OC ZINC000671048612 1078989459 /nfs/dbraw/zinc/98/94/59/1078989459.db2.gz SWPUTZPPTCIHSU-DOTOQJQBSA-N 0 3 423.510 0.687 20 0 HCADHN COCCOc1ccc([C@@H](C)NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1OC ZINC000671048613 1078989220 /nfs/dbraw/zinc/98/92/20/1078989220.db2.gz SWPUTZPPTCIHSU-NVXWUHKLSA-N 0 3 423.510 0.687 20 0 HCADHN COCCOc1ccc([C@H](C)NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1OC ZINC000671048614 1078989288 /nfs/dbraw/zinc/98/92/88/1078989288.db2.gz SWPUTZPPTCIHSU-RDJZCZTQSA-N 0 3 423.510 0.687 20 0 HCADHN COCCOc1ccc([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1OC ZINC000671048615 1078989351 /nfs/dbraw/zinc/98/93/51/1078989351.db2.gz SWPUTZPPTCIHSU-WBVHZDCISA-N 0 3 423.510 0.687 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671057990 1079000906 /nfs/dbraw/zinc/00/09/06/1079000906.db2.gz MJHJDSKFPZFUQW-AZUAARDMSA-N 0 3 413.566 0.914 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671057995 1079000746 /nfs/dbraw/zinc/00/07/46/1079000746.db2.gz MJHJDSKFPZFUQW-ICSRJNTNSA-N 0 3 413.566 0.914 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671057996 1079000568 /nfs/dbraw/zinc/00/05/68/1079000568.db2.gz MJHJDSKFPZFUQW-QUCCMNQESA-N 0 3 413.566 0.914 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671057997 1079000790 /nfs/dbraw/zinc/00/07/90/1079000790.db2.gz MJHJDSKFPZFUQW-UYAOXDASSA-N 0 3 413.566 0.914 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000671058335 1079001803 /nfs/dbraw/zinc/00/18/03/1079001803.db2.gz MCJTWXVJKNPTEW-IBGZPJMESA-N 0 3 401.555 0.915 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000671058337 1079002007 /nfs/dbraw/zinc/00/20/07/1079002007.db2.gz MCJTWXVJKNPTEW-LJQANCHMSA-N 0 3 401.555 0.915 20 0 HCADHN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671059028 1079003832 /nfs/dbraw/zinc/00/38/32/1079003832.db2.gz SDILIOQNZVPIOM-IBGZPJMESA-N 0 3 417.529 0.664 20 0 HCADHN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671059029 1079004157 /nfs/dbraw/zinc/00/41/57/1079004157.db2.gz SDILIOQNZVPIOM-LJQANCHMSA-N 0 3 417.529 0.664 20 0 HCADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)N[C@H]3CCCN(C)C3)CC2)c1 ZINC000671059919 1079002559 /nfs/dbraw/zinc/00/25/59/1079002559.db2.gz NTJLXDLFALAQGM-IBGZPJMESA-N 0 3 401.555 0.834 20 0 HCADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)N[C@@H]3CCCN(C)C3)CC2)c1 ZINC000671059920 1079002473 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CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000671062638 1079009406 /nfs/dbraw/zinc/00/94/06/1079009406.db2.gz YSDVYSNFNUENPU-KRWDZBQOSA-N 0 3 409.575 0.330 20 0 HCADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000671062643 1079009254 /nfs/dbraw/zinc/00/92/54/1079009254.db2.gz YSDVYSNFNUENPU-QGZVFWFLSA-N 0 3 409.575 0.330 20 0 HCADHN CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCCN1CC)c1ccccc1OCC(=O)NC ZINC000671062800 1079008280 /nfs/dbraw/zinc/00/82/80/1079008280.db2.gz UIZVGIJIVAKFGL-DOTOQJQBSA-N 0 3 404.511 0.979 20 0 HCADHN CC[C@@H](NC(=O)C(=O)NC[C@H]1CCCN1CC)c1ccccc1OCC(=O)NC ZINC000671062803 1079008903 /nfs/dbraw/zinc/00/89/03/1079008903.db2.gz UIZVGIJIVAKFGL-NVXWUHKLSA-N 0 3 404.511 0.979 20 0 HCADHN CC[C@H](NC(=O)C(=O)NC[C@@H]1CCCN1CC)c1ccccc1OCC(=O)NC ZINC000671062805 1079008794 /nfs/dbraw/zinc/00/87/94/1079008794.db2.gz UIZVGIJIVAKFGL-RDJZCZTQSA-N 0 3 404.511 0.979 20 0 HCADHN CC[C@H](NC(=O)C(=O)NC[C@H]1CCCN1CC)c1ccccc1OCC(=O)NC ZINC000671062807 1079008914 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ZINC000671071856 1079020610 /nfs/dbraw/zinc/02/06/10/1079020610.db2.gz QZKQROAMTJBCNW-AUUYWEPGSA-N 0 3 402.524 0.998 20 0 HCADHN C[C@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)c1ccc(-n2cncn2)cc1 ZINC000671071860 1079020688 /nfs/dbraw/zinc/02/06/88/1079020688.db2.gz QZKQROAMTJBCNW-IFXJQAMLSA-N 0 3 402.524 0.998 20 0 HCADHN C[C@@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)c1ccc(-n2cncn2)cc1 ZINC000671071861 1079020931 /nfs/dbraw/zinc/02/09/31/1079020931.db2.gz QZKQROAMTJBCNW-KUHUBIRLSA-N 0 3 402.524 0.998 20 0 HCADHN C[C@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)c1ccc(-n2cncn2)cc1 ZINC000671071862 1079020850 /nfs/dbraw/zinc/02/08/50/1079020850.db2.gz QZKQROAMTJBCNW-LIRRHRJNSA-N 0 3 402.524 0.998 20 0 HCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)CCSC1 ZINC000671071918 1079020835 /nfs/dbraw/zinc/02/08/35/1079020835.db2.gz SIPPILROJDYDQU-IBGZPJMESA-N 0 3 406.556 0.484 20 0 HCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)CCSC1 ZINC000671071922 1079020713 /nfs/dbraw/zinc/02/07/13/1079020713.db2.gz 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COc1ccc(O[C@H](C)CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000671075445 1079024343 /nfs/dbraw/zinc/02/43/43/1079024343.db2.gz KZJOLMYOJPTNSF-QGZVFWFLSA-N 0 3 406.527 0.675 20 0 HCADHN Cc1[nH]ncc1CNC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671133647 1079064424 /nfs/dbraw/zinc/06/44/24/1079064424.db2.gz JPMFEUVHXOHZNC-KRWDZBQOSA-N 0 3 405.886 0.866 20 0 HCADHN Cc1[nH]ncc1CNC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671133648 1079064316 /nfs/dbraw/zinc/06/43/16/1079064316.db2.gz JPMFEUVHXOHZNC-QGZVFWFLSA-N 0 3 405.886 0.866 20 0 HCADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000671133725 1079063948 /nfs/dbraw/zinc/06/39/48/1079063948.db2.gz IIGZHBYEWARDLY-INIZCTEOSA-N 0 3 402.561 0.251 20 0 HCADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000671133726 1079063997 /nfs/dbraw/zinc/06/39/97/1079063997.db2.gz IIGZHBYEWARDLY-MRXNPFEDSA-N 0 3 402.561 0.251 20 0 HCADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000671133849 1079065534 /nfs/dbraw/zinc/06/55/34/1079065534.db2.gz RSXZWTLSSPOICN-GOSISDBHSA-N 0 3 424.567 0.507 20 0 HCADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000671133850 1079065491 /nfs/dbraw/zinc/06/54/91/1079065491.db2.gz RSXZWTLSSPOICN-SFHVURJKSA-N 0 3 424.567 0.507 20 0 HCADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@H](CO)C1 ZINC000671139179 1079071470 /nfs/dbraw/zinc/07/14/70/1079071470.db2.gz WIAYHGOWYCMMFA-FQEVSTJZSA-N 0 3 402.539 0.541 20 0 HCADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@H](CO)C1 ZINC000671139180 1079071417 /nfs/dbraw/zinc/07/14/17/1079071417.db2.gz WIAYHGOWYCMMFA-HXUWFJFHSA-N 0 3 402.539 0.541 20 0 HCADHN COc1ccc(C)cc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000671141085 1079073229 /nfs/dbraw/zinc/07/32/29/1079073229.db2.gz JOIYOWDWSZDOCU-UHFFFAOYSA-N 0 3 402.495 0.386 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cc(C)ccc2OC)CC1 ZINC000671141550 1079074060 /nfs/dbraw/zinc/07/40/60/1079074060.db2.gz HANAMFNJJZQLSW-UHFFFAOYSA-N 0 3 404.511 0.632 20 0 HCADHN COc1ccc(C)cc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000671142259 1079075588 /nfs/dbraw/zinc/07/55/88/1079075588.db2.gz RGVHGZXAYWRFAX-KRWDZBQOSA-N 0 3 402.495 0.385 20 0 HCADHN COc1ccc(C)cc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000671142265 1079075617 /nfs/dbraw/zinc/07/56/17/1079075617.db2.gz RGVHGZXAYWRFAX-QGZVFWFLSA-N 0 3 402.495 0.385 20 0 HCADHN COc1ccc(C)cc1CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000671142840 1079074101 /nfs/dbraw/zinc/07/41/01/1079074101.db2.gz VULFTBMWAKXHLH-KRWDZBQOSA-N 0 3 404.511 0.679 20 0 HCADHN COc1ccc(C)cc1CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000671142841 1079074017 /nfs/dbraw/zinc/07/40/17/1079074017.db2.gz VULFTBMWAKXHLH-QGZVFWFLSA-N 0 3 404.511 0.679 20 0 HCADHN COc1ccc2[nH]cc(CCNC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)c2c1 ZINC000671171353 1079091455 /nfs/dbraw/zinc/09/14/55/1079091455.db2.gz GOMAZSVNHRJHOJ-INIZCTEOSA-N 0 3 415.538 0.835 20 0 HCADHN COc1ccc2[nH]cc(CCNC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)c2c1 ZINC000671171354 1079091432 /nfs/dbraw/zinc/09/14/32/1079091432.db2.gz GOMAZSVNHRJHOJ-MRXNPFEDSA-N 0 3 415.538 0.835 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000671171408 1079091152 /nfs/dbraw/zinc/09/11/52/1079091152.db2.gz OJRHFLJCDVAIHW-AZUAARDMSA-N 0 3 402.539 0.976 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000671171409 1079091349 /nfs/dbraw/zinc/09/13/49/1079091349.db2.gz OJRHFLJCDVAIHW-ICSRJNTNSA-N 0 3 402.539 0.976 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCCO[C@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000671171410 1079091412 /nfs/dbraw/zinc/09/14/12/1079091412.db2.gz OJRHFLJCDVAIHW-QUCCMNQESA-N 0 3 402.539 0.976 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000671171411 1079091114 /nfs/dbraw/zinc/09/11/14/1079091114.db2.gz OJRHFLJCDVAIHW-UYAOXDASSA-N 0 3 402.539 0.976 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)CN1CCN(C)CC1 ZINC000671171412 1079091092 /nfs/dbraw/zinc/09/10/92/1079091092.db2.gz PGSKRAOUTHVSKY-DOTOQJQBSA-N 0 3 423.508 0.659 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)CN1CCN(C)CC1 ZINC000671171413 1079091211 /nfs/dbraw/zinc/09/12/11/1079091211.db2.gz PGSKRAOUTHVSKY-NVXWUHKLSA-N 0 3 423.508 0.659 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)CN1CCN(C)CC1 ZINC000671171414 1079091238 /nfs/dbraw/zinc/09/12/38/1079091238.db2.gz PGSKRAOUTHVSKY-RDJZCZTQSA-N 0 3 423.508 0.659 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)CN1CCN(C)CC1 ZINC000671171415 1079091075 /nfs/dbraw/zinc/09/10/75/1079091075.db2.gz PGSKRAOUTHVSKY-WBVHZDCISA-N 0 3 423.508 0.659 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ccccc1N1CCCC1)CN1CCN(C)CC1 ZINC000671171427 1079091063 /nfs/dbraw/zinc/09/10/63/1079091063.db2.gz QLEUYCAEFYAHPX-GOSISDBHSA-N 0 3 401.555 0.903 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1N1CCCC1)CN1CCN(C)CC1 ZINC000671171428 1079091925 /nfs/dbraw/zinc/09/19/25/1079091925.db2.gz QLEUYCAEFYAHPX-SFHVURJKSA-N 0 3 401.555 0.903 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCCN1CCCc2ccccc21)CN1CCN(C)CC1 ZINC000671171511 1079090622 /nfs/dbraw/zinc/09/06/22/1079090622.db2.gz DCIWOWVFPKKUFG-GOSISDBHSA-N 0 3 401.555 0.555 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCCN1CCCc2ccccc21)CN1CCN(C)CC1 ZINC000671171512 1079090551 /nfs/dbraw/zinc/09/05/51/1079090551.db2.gz DCIWOWVFPKKUFG-SFHVURJKSA-N 0 3 401.555 0.555 20 0 HCADHN COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000671171569 1079090749 /nfs/dbraw/zinc/09/07/49/1079090749.db2.gz NRTYSFRFEYXCAG-DOTOQJQBSA-N 0 3 404.511 0.635 20 0 HCADHN COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000671171570 1079090798 /nfs/dbraw/zinc/09/07/98/1079090798.db2.gz NRTYSFRFEYXCAG-NVXWUHKLSA-N 0 3 404.511 0.635 20 0 HCADHN COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000671171571 1079090526 /nfs/dbraw/zinc/09/05/26/1079090526.db2.gz NRTYSFRFEYXCAG-RDJZCZTQSA-N 0 3 404.511 0.635 20 0 HCADHN COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000671171572 1079090579 /nfs/dbraw/zinc/09/05/79/1079090579.db2.gz NRTYSFRFEYXCAG-WBVHZDCISA-N 0 3 404.511 0.635 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C)CN1CCN(C)CC1 ZINC000671171591 1079090660 /nfs/dbraw/zinc/09/06/60/1079090660.db2.gz QWATZBAREAUBDX-MSOLQXFVSA-N 0 3 419.545 0.863 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C)CN1CCN(C)CC1 ZINC000671171592 1079090568 /nfs/dbraw/zinc/09/05/68/1079090568.db2.gz QWATZBAREAUBDX-QZTJIDSGSA-N 0 3 419.545 0.863 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C)CN1CCN(C)CC1 ZINC000671171593 1079091295 /nfs/dbraw/zinc/09/12/95/1079091295.db2.gz QWATZBAREAUBDX-ROUUACIJSA-N 0 3 419.545 0.863 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C)CN1CCN(C)CC1 ZINC000671171594 1079091181 /nfs/dbraw/zinc/09/11/81/1079091181.db2.gz QWATZBAREAUBDX-ZWKOTPCHSA-N 0 3 419.545 0.863 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)CN1CCN(C)CC1 ZINC000671171607 1079091369 /nfs/dbraw/zinc/09/13/69/1079091369.db2.gz SZEJQZBCGHFGGI-HKUYNNGSSA-N 0 3 406.527 0.787 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@H]1CCCO1)CN1CCN(C)CC1 ZINC000671171608 1079091048 /nfs/dbraw/zinc/09/10/48/1079091048.db2.gz SZEJQZBCGHFGGI-IEBWSBKVSA-N 0 3 406.527 0.787 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)CN1CCN(C)CC1 ZINC000671171609 1079091322 /nfs/dbraw/zinc/09/13/22/1079091322.db2.gz SZEJQZBCGHFGGI-MJGOQNOKSA-N 0 3 406.527 0.787 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@H]1CCCO1)CN1CCN(C)CC1 ZINC000671171610 1079091265 /nfs/dbraw/zinc/09/12/65/1079091265.db2.gz SZEJQZBCGHFGGI-PKOBYXMFSA-N 0 3 406.527 0.787 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1cn2cc(Cl)ccc2n1)CN1CCN(C)CC1 ZINC000671171665 1079090645 /nfs/dbraw/zinc/09/06/45/1079090645.db2.gz FECWIOZXRSNASK-AWEZNQCLSA-N 0 3 406.918 0.604 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1cn2cc(Cl)ccc2n1)CN1CCN(C)CC1 ZINC000671171666 1079090540 /nfs/dbraw/zinc/09/05/40/1079090540.db2.gz FECWIOZXRSNASK-CQSZACIVSA-N 0 3 406.918 0.604 20 0 HCADHN COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000671171755 1079090727 /nfs/dbraw/zinc/09/07/27/1079090727.db2.gz DBZKEKZRLRUUBV-CRAIPNDOSA-N 0 3 404.511 0.635 20 0 HCADHN COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000671171756 1079090858 /nfs/dbraw/zinc/09/08/58/1079090858.db2.gz DBZKEKZRLRUUBV-MAUKXSAKSA-N 0 3 404.511 0.635 20 0 HCADHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000671171757 1079090603 /nfs/dbraw/zinc/09/06/03/1079090603.db2.gz DBZKEKZRLRUUBV-QAPCUYQASA-N 0 3 404.511 0.635 20 0 HCADHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000671171758 1079090705 /nfs/dbraw/zinc/09/07/05/1079090705.db2.gz DBZKEKZRLRUUBV-YJBOKZPZSA-N 0 3 404.511 0.635 20 0 HCADHN Cc1ccc(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(N2CCCC2)n1 ZINC000671171808 1079090116 /nfs/dbraw/zinc/09/01/16/1079090116.db2.gz LYIXVZADQWNHTM-KRWDZBQOSA-N 0 3 416.570 0.606 20 0 HCADHN Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(N2CCCC2)n1 ZINC000671171809 1079090025 /nfs/dbraw/zinc/09/00/25/1079090025.db2.gz LYIXVZADQWNHTM-QGZVFWFLSA-N 0 3 416.570 0.606 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ncc(-c2ccccc2)cn1)CN1CCN(C)CC1 ZINC000671171816 1079090142 /nfs/dbraw/zinc/09/01/42/1079090142.db2.gz MUQKZBGYTXMUPB-KRWDZBQOSA-N 0 3 410.522 0.760 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ncc(-c2ccccc2)cn1)CN1CCN(C)CC1 ZINC000671171817 1079089958 /nfs/dbraw/zinc/08/99/58/1079089958.db2.gz MUQKZBGYTXMUPB-QGZVFWFLSA-N 0 3 410.522 0.760 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1cn(C)nc1C(F)(F)F)CN1CCN(C)CC1 ZINC000671171892 1079090179 /nfs/dbraw/zinc/09/01/79/1079090179.db2.gz CHAKUWQEXFMRSO-GFCCVEGCSA-N 0 3 404.437 0.055 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1cn(C)nc1C(F)(F)F)CN1CCN(C)CC1 ZINC000671171893 1079090073 /nfs/dbraw/zinc/09/00/73/1079090073.db2.gz CHAKUWQEXFMRSO-LBPRGKRZSA-N 0 3 404.437 0.055 20 0 HCADHN COc1ccc(OC)c([C@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000671171916 1079090826 /nfs/dbraw/zinc/09/08/26/1079090826.db2.gz IFLVQKMVKDZNMZ-CVEARBPZSA-N 0 3 406.527 0.881 20 0 HCADHN COc1ccc(OC)c([C@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000671171917 1079090681 /nfs/dbraw/zinc/09/06/81/1079090681.db2.gz IFLVQKMVKDZNMZ-HOTGVXAUSA-N 0 3 406.527 0.881 20 0 HCADHN COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000671171918 1079090772 /nfs/dbraw/zinc/09/07/72/1079090772.db2.gz IFLVQKMVKDZNMZ-HZPDHXFCSA-N 0 3 406.527 0.881 20 0 HCADHN COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000671171919 1079090502 /nfs/dbraw/zinc/09/05/02/1079090502.db2.gz IFLVQKMVKDZNMZ-JKSUJKDBSA-N 0 3 406.527 0.881 20 0 HCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(OC)c1 ZINC000671171991 1079090131 /nfs/dbraw/zinc/09/01/31/1079090131.db2.gz WSYQVUCZTJIDCY-INIZCTEOSA-N 0 3 406.527 0.662 20 0 HCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(OC)c1 ZINC000671171992 1079090201 /nfs/dbraw/zinc/09/02/01/1079090201.db2.gz WSYQVUCZTJIDCY-MRXNPFEDSA-N 0 3 406.527 0.662 20 0 HCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1OC ZINC000671172032 1079090040 /nfs/dbraw/zinc/09/00/40/1079090040.db2.gz GJFDBMZZKMBZMT-INIZCTEOSA-N 0 3 406.527 0.662 20 0 HCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1OC ZINC000671172033 1079090102 /nfs/dbraw/zinc/09/01/02/1079090102.db2.gz GJFDBMZZKMBZMT-MRXNPFEDSA-N 0 3 406.527 0.662 20 0 HCADHN C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000671172123 1079093407 /nfs/dbraw/zinc/09/34/07/1079093407.db2.gz UYVIIEUHAYUERY-DLBZAZTESA-N 0 3 413.526 0.444 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)CN1CCN(C)CC1 ZINC000671172124 1079093383 /nfs/dbraw/zinc/09/33/83/1079093383.db2.gz UYVIIEUHAYUERY-IAGOWNOFSA-N 0 3 413.526 0.444 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)CN1CCN(C)CC1 ZINC000671172125 1079093547 /nfs/dbraw/zinc/09/35/47/1079093547.db2.gz UYVIIEUHAYUERY-IRXDYDNUSA-N 0 3 413.526 0.444 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)CN1CCN(C)CC1 ZINC000671172126 1079093583 /nfs/dbraw/zinc/09/35/83/1079093583.db2.gz UYVIIEUHAYUERY-SJORKVTESA-N 0 3 413.526 0.444 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000671172207 1079093966 /nfs/dbraw/zinc/09/39/66/1079093966.db2.gz FGYVRTQRQORSHO-IBGZPJMESA-N 0 3 401.555 0.331 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000671172208 1079094024 /nfs/dbraw/zinc/09/40/24/1079094024.db2.gz FGYVRTQRQORSHO-LJQANCHMSA-N 0 3 401.555 0.331 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C)CN1CCN(C)CC1 ZINC000671172211 1079094011 /nfs/dbraw/zinc/09/40/11/1079094011.db2.gz KOKULKJUNIDVET-PMACEKPBSA-N 0 3 415.582 0.719 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C)CN1CCN(C)CC1 ZINC000671172212 1079092709 /nfs/dbraw/zinc/09/27/09/1079092709.db2.gz KOKULKJUNIDVET-UXHICEINSA-N 0 3 415.582 0.719 20 0 HCADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C2 ZINC000671172223 1079092791 /nfs/dbraw/zinc/09/27/91/1079092791.db2.gz MKDZNDSPJPTLCZ-DOTOQJQBSA-N 0 3 404.511 0.115 20 0 HCADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C2 ZINC000671172224 1079092920 /nfs/dbraw/zinc/09/29/20/1079092920.db2.gz MKDZNDSPJPTLCZ-NVXWUHKLSA-N 0 3 404.511 0.115 20 0 HCADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C2 ZINC000671172226 1079092945 /nfs/dbraw/zinc/09/29/45/1079092945.db2.gz MKDZNDSPJPTLCZ-RDJZCZTQSA-N 0 3 404.511 0.115 20 0 HCADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C2 ZINC000671172227 1079092773 /nfs/dbraw/zinc/09/27/73/1079092773.db2.gz MKDZNDSPJPTLCZ-WBVHZDCISA-N 0 3 404.511 0.115 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NC1CCN(c2cccs2)CC1)CN1CCN(C)CC1 ZINC000671172293 1079093040 /nfs/dbraw/zinc/09/30/40/1079093040.db2.gz JDGGCOJNGZNYLP-INIZCTEOSA-N 0 3 407.584 0.833 20 0 HCADHN C[C@H](CNC(=O)C(=O)NC1CCN(c2cccs2)CC1)CN1CCN(C)CC1 ZINC000671172300 1079092980 /nfs/dbraw/zinc/09/29/80/1079092980.db2.gz JDGGCOJNGZNYLP-MRXNPFEDSA-N 0 3 407.584 0.833 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1)CN1CCN(C)CC1 ZINC000671172460 1079092303 /nfs/dbraw/zinc/09/23/03/1079092303.db2.gz JDTQQUJOUOYAEL-APWZRJJASA-N 0 3 406.502 0.805 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1)CN1CCN(C)CC1 ZINC000671172461 1079092455 /nfs/dbraw/zinc/09/24/55/1079092455.db2.gz JDTQQUJOUOYAEL-LPHOPBHVSA-N 0 3 406.502 0.805 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1)CN1CCN(C)CC1 ZINC000671172462 1079092379 /nfs/dbraw/zinc/09/23/79/1079092379.db2.gz JDTQQUJOUOYAEL-QFBILLFUSA-N 0 3 406.502 0.805 20 0 HCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)CCC2 ZINC000671172499 1079092288 /nfs/dbraw/zinc/09/22/88/1079092288.db2.gz VTXBLMDFPRYYAV-AEFFLSMTSA-N 0 3 420.558 0.023 20 0 HCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)CCC2 ZINC000671172500 1079092731 /nfs/dbraw/zinc/09/27/31/1079092731.db2.gz VTXBLMDFPRYYAV-FUHWJXTLSA-N 0 3 420.558 0.023 20 0 HCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)CCC2 ZINC000671172501 1079093012 /nfs/dbraw/zinc/09/30/12/1079093012.db2.gz VTXBLMDFPRYYAV-SJLPKXTDSA-N 0 3 420.558 0.023 20 0 HCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)CCC2 ZINC000671172502 1079093071 /nfs/dbraw/zinc/09/30/71/1079093071.db2.gz VTXBLMDFPRYYAV-WMZOPIPTSA-N 0 3 420.558 0.023 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)CN1CCN(C)CC1 ZINC000671172503 1079092813 /nfs/dbraw/zinc/09/28/13/1079092813.db2.gz VUEPYIFKLMVHMO-KRWDZBQOSA-N 0 3 407.584 0.392 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)CN1CCN(C)CC1 ZINC000671172504 1079092359 /nfs/dbraw/zinc/09/23/59/1079092359.db2.gz VUEPYIFKLMVHMO-QGZVFWFLSA-N 0 3 407.584 0.392 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@H](Cn1cccn1)c1ccccc1)CN1CCN(C)CC1 ZINC000671172682 1079094553 /nfs/dbraw/zinc/09/45/53/1079094553.db2.gz OIJWTXDZFYFMHI-AZUAARDMSA-N 0 3 412.538 0.740 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H](Cn1cccn1)c1ccccc1)CN1CCN(C)CC1 ZINC000671172683 1079094370 /nfs/dbraw/zinc/09/43/70/1079094370.db2.gz OIJWTXDZFYFMHI-ICSRJNTNSA-N 0 3 412.538 0.740 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H](Cn1cccn1)c1ccccc1)CN1CCN(C)CC1 ZINC000671172684 1079094422 /nfs/dbraw/zinc/09/44/22/1079094422.db2.gz OIJWTXDZFYFMHI-QUCCMNQESA-N 0 3 412.538 0.740 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H](Cn1cccn1)c1ccccc1)CN1CCN(C)CC1 ZINC000671172685 1079094537 /nfs/dbraw/zinc/09/45/37/1079094537.db2.gz OIJWTXDZFYFMHI-UYAOXDASSA-N 0 3 412.538 0.740 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@]2(CCc3ccccc32)C1)CN1CCN(C)CC1 ZINC000671172743 1079091786 /nfs/dbraw/zinc/09/17/86/1079091786.db2.gz BHBQQDJJAYCFRD-FDDCHVKYSA-N 0 3 414.550 0.687 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)CN1CCN(C)CC1 ZINC000671172744 1079092418 /nfs/dbraw/zinc/09/24/18/1079092418.db2.gz BHBQQDJJAYCFRD-JPYJTQIMSA-N 0 3 414.550 0.687 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)CN1CCN(C)CC1 ZINC000671172745 1079092342 /nfs/dbraw/zinc/09/23/42/1079092342.db2.gz BHBQQDJJAYCFRD-MBSDFSHPSA-N 0 3 414.550 0.687 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@]2(CCc3ccccc32)C1)CN1CCN(C)CC1 ZINC000671172746 1079092271 /nfs/dbraw/zinc/09/22/71/1079092271.db2.gz BHBQQDJJAYCFRD-WZONZLPQSA-N 0 3 414.550 0.687 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1 ZINC000671172879 1079094611 /nfs/dbraw/zinc/09/46/11/1079094611.db2.gz IEOYOOKPHWROJS-IBGZPJMESA-N 0 3 415.582 0.945 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1 ZINC000671172880 1079094579 /nfs/dbraw/zinc/09/45/79/1079094579.db2.gz IEOYOOKPHWROJS-LJQANCHMSA-N 0 3 415.582 0.945 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671172964 1079093952 /nfs/dbraw/zinc/09/39/52/1079093952.db2.gz XHSCNQNNKGQUBI-HNNXBMFYSA-N 0 3 403.518 0.222 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671172965 1079094033 /nfs/dbraw/zinc/09/40/33/1079094033.db2.gz XHSCNQNNKGQUBI-OAHLLOKOSA-N 0 3 403.518 0.222 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000671173044 1079093990 /nfs/dbraw/zinc/09/39/90/1079093990.db2.gz JBXPDLZPPPICMP-AEFFLSMTSA-N 0 3 404.559 0.646 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000671173045 1079093852 /nfs/dbraw/zinc/09/38/52/1079093852.db2.gz JBXPDLZPPPICMP-FUHWJXTLSA-N 0 3 404.559 0.646 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000671173046 1079093911 /nfs/dbraw/zinc/09/39/11/1079093911.db2.gz JBXPDLZPPPICMP-SJLPKXTDSA-N 0 3 404.559 0.646 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000671173047 1079094051 /nfs/dbraw/zinc/09/40/51/1079094051.db2.gz JBXPDLZPPPICMP-WMZOPIPTSA-N 0 3 404.559 0.646 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOC3(CCOCC3)CC2)CC1 ZINC000671173173 1079093532 /nfs/dbraw/zinc/09/35/32/1079093532.db2.gz WHDNNVWHHNWJGL-GOSISDBHSA-N 0 3 410.559 0.174 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOC3(CCOCC3)CC2)CC1 ZINC000671173176 1079093477 /nfs/dbraw/zinc/09/34/77/1079093477.db2.gz WHDNNVWHHNWJGL-SFHVURJKSA-N 0 3 410.559 0.174 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173181 1079094457 /nfs/dbraw/zinc/09/44/57/1079094457.db2.gz IUZPUVCINYDCBZ-MSOLQXFVSA-N 0 3 402.543 0.166 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173186 1079092851 /nfs/dbraw/zinc/09/28/51/1079092851.db2.gz IUZPUVCINYDCBZ-QZTJIDSGSA-N 0 3 402.543 0.166 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173188 1079094960 /nfs/dbraw/zinc/09/49/60/1079094960.db2.gz IUZPUVCINYDCBZ-ROUUACIJSA-N 0 3 402.543 0.166 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173189 1079095084 /nfs/dbraw/zinc/09/50/84/1079095084.db2.gz IUZPUVCINYDCBZ-ZWKOTPCHSA-N 0 3 402.543 0.166 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000671173193 1079095004 /nfs/dbraw/zinc/09/50/04/1079095004.db2.gz IZOUBFIVMBKDPV-APWZRJJASA-N 0 3 404.559 0.782 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000671173197 1079095144 /nfs/dbraw/zinc/09/51/44/1079095144.db2.gz IZOUBFIVMBKDPV-LPHOPBHVSA-N 0 3 404.559 0.782 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000671173199 1079095017 /nfs/dbraw/zinc/09/50/17/1079095017.db2.gz IZOUBFIVMBKDPV-QFBILLFUSA-N 0 3 404.559 0.782 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000671173200 1079095056 /nfs/dbraw/zinc/09/50/56/1079095056.db2.gz IZOUBFIVMBKDPV-VQIMIIECSA-N 0 3 404.559 0.782 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671173239 1079096567 /nfs/dbraw/zinc/09/65/67/1079096567.db2.gz NHHKIJOUETXLTC-GOSISDBHSA-N 0 3 415.538 0.252 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671173240 1079096524 /nfs/dbraw/zinc/09/65/24/1079096524.db2.gz NHHKIJOUETXLTC-SFHVURJKSA-N 0 3 415.538 0.252 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000671173296 1079096495 /nfs/dbraw/zinc/09/64/95/1079096495.db2.gz VERUNGFJTBSIDF-KRWDZBQOSA-N 0 3 424.590 0.029 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000671173297 1079096377 /nfs/dbraw/zinc/09/63/77/1079096377.db2.gz VERUNGFJTBSIDF-QGZVFWFLSA-N 0 3 424.590 0.029 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)CC1 ZINC000671173470 1079096579 /nfs/dbraw/zinc/09/65/79/1079096579.db2.gz KTUVWSQVELGZGZ-KRWDZBQOSA-N 0 3 420.558 0.017 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)CC1 ZINC000671173471 1079096451 /nfs/dbraw/zinc/09/64/51/1079096451.db2.gz KTUVWSQVELGZGZ-QGZVFWFLSA-N 0 3 420.558 0.017 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOc3cccc(F)c3C2)CC1 ZINC000671173510 1079096479 /nfs/dbraw/zinc/09/64/79/1079096479.db2.gz WVRHDQPEHGQGIQ-INIZCTEOSA-N 0 3 406.502 0.937 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOc3cccc(F)c3C2)CC1 ZINC000671173511 1079096414 /nfs/dbraw/zinc/09/64/14/1079096414.db2.gz WVRHDQPEHGQGIQ-MRXNPFEDSA-N 0 3 406.502 0.937 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000671173516 1079096352 /nfs/dbraw/zinc/09/63/52/1079096352.db2.gz YCPDDILGLKCCNI-INIZCTEOSA-N 0 3 400.527 0.579 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000671173517 1079096549 /nfs/dbraw/zinc/09/65/49/1079096549.db2.gz YCPDDILGLKCCNI-MRXNPFEDSA-N 0 3 400.527 0.579 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1 ZINC000671173540 1079095502 /nfs/dbraw/zinc/09/55/02/1079095502.db2.gz DOUNPSLDOCVYIG-INIZCTEOSA-N 0 3 404.511 0.764 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1 ZINC000671173541 1079095726 /nfs/dbraw/zinc/09/57/26/1079095726.db2.gz DOUNPSLDOCVYIG-MRXNPFEDSA-N 0 3 404.511 0.764 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671173546 1079095698 /nfs/dbraw/zinc/09/56/98/1079095698.db2.gz FMZJJOVCYHSBRF-HNNXBMFYSA-N 0 3 405.543 0.713 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671173547 1079095527 /nfs/dbraw/zinc/09/55/27/1079095527.db2.gz FMZJJOVCYHSBRF-OAHLLOKOSA-N 0 3 405.543 0.713 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671173561 1079095477 /nfs/dbraw/zinc/09/54/77/1079095477.db2.gz HFGJPLIRTOZLFP-GOSISDBHSA-N 0 3 401.555 0.508 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671173562 1079095384 /nfs/dbraw/zinc/09/53/84/1079095384.db2.gz HFGJPLIRTOZLFP-SFHVURJKSA-N 0 3 401.555 0.508 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173569 1079095652 /nfs/dbraw/zinc/09/56/52/1079095652.db2.gz IJUASLZBZNDFRK-FXAWDEMLSA-N 0 3 401.555 0.679 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173570 1079095618 /nfs/dbraw/zinc/09/56/18/1079095618.db2.gz IJUASLZBZNDFRK-PXNSSMCTSA-N 0 3 401.555 0.679 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173571 1079095405 /nfs/dbraw/zinc/09/54/05/1079095405.db2.gz IJUASLZBZNDFRK-XLIONFOSSA-N 0 3 401.555 0.679 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173572 1079095916 /nfs/dbraw/zinc/09/59/16/1079095916.db2.gz IJUASLZBZNDFRK-YLJYHZDGSA-N 0 3 401.555 0.679 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173637 1079096007 /nfs/dbraw/zinc/09/60/07/1079096007.db2.gz AWZXYHZICSMNAV-HKUYNNGSSA-N 0 3 421.586 0.284 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173638 1079096059 /nfs/dbraw/zinc/09/60/59/1079096059.db2.gz AWZXYHZICSMNAV-IEBWSBKVSA-N 0 3 421.586 0.284 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173639 1079095884 /nfs/dbraw/zinc/09/58/84/1079095884.db2.gz AWZXYHZICSMNAV-MJGOQNOKSA-N 0 3 421.586 0.284 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173640 1079096027 /nfs/dbraw/zinc/09/60/27/1079096027.db2.gz AWZXYHZICSMNAV-PKOBYXMFSA-N 0 3 421.586 0.284 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671173666 1079095971 /nfs/dbraw/zinc/09/59/71/1079095971.db2.gz FEBLOJAWXFFJEB-FQEVSTJZSA-N 0 3 415.582 0.721 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671173667 1079096105 /nfs/dbraw/zinc/09/61/05/1079096105.db2.gz FEBLOJAWXFFJEB-HXUWFJFHSA-N 0 3 415.582 0.721 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173672 1079095126 /nfs/dbraw/zinc/09/51/26/1079095126.db2.gz FLLLXRVWGHCSIA-AEFFLSMTSA-N 0 3 418.538 0.505 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173673 1079094942 /nfs/dbraw/zinc/09/49/42/1079094942.db2.gz FLLLXRVWGHCSIA-FUHWJXTLSA-N 0 3 418.538 0.505 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173674 1079094986 /nfs/dbraw/zinc/09/49/86/1079094986.db2.gz FLLLXRVWGHCSIA-SJLPKXTDSA-N 0 3 418.538 0.505 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173675 1079095070 /nfs/dbraw/zinc/09/50/70/1079095070.db2.gz FLLLXRVWGHCSIA-WMZOPIPTSA-N 0 3 418.538 0.505 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOC[C@H]2c2ccc(C)o2)CC1 ZINC000671173750 1079095543 /nfs/dbraw/zinc/09/55/43/1079095543.db2.gz VLYZQNIZPGGOQO-AEFFLSMTSA-N 0 3 406.527 0.878 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOC[C@@H]2c2ccc(C)o2)CC1 ZINC000671173751 1079095683 /nfs/dbraw/zinc/09/56/83/1079095683.db2.gz VLYZQNIZPGGOQO-FUHWJXTLSA-N 0 3 406.527 0.878 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOC[C@@H]2c2ccc(C)o2)CC1 ZINC000671173752 1079095587 /nfs/dbraw/zinc/09/55/87/1079095587.db2.gz VLYZQNIZPGGOQO-SJLPKXTDSA-N 0 3 406.527 0.878 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOC[C@H]2c2ccc(C)o2)CC1 ZINC000671173753 1079095432 /nfs/dbraw/zinc/09/54/32/1079095432.db2.gz VLYZQNIZPGGOQO-WMZOPIPTSA-N 0 3 406.527 0.878 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671173929 1079094900 /nfs/dbraw/zinc/09/49/00/1079094900.db2.gz YPFGSDFUHOKAJH-ILXRZTDVSA-N 0 3 408.465 0.554 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671173930 1079094926 /nfs/dbraw/zinc/09/49/26/1079094926.db2.gz YPFGSDFUHOKAJH-KFWWJZLASA-N 0 3 408.465 0.554 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000671173931 1079095039 /nfs/dbraw/zinc/09/50/39/1079095039.db2.gz YPFGSDFUHOKAJH-QLFBSQMISA-N 0 3 408.465 0.554 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC000671173932 1079095102 /nfs/dbraw/zinc/09/51/02/1079095102.db2.gz YPFGSDFUHOKAJH-RBSFLKMASA-N 0 3 408.465 0.554 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000671174306 1079097033 /nfs/dbraw/zinc/09/70/33/1079097033.db2.gz MUBYOZYZPBWUNA-AZUAARDMSA-N 0 3 401.555 0.862 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000671174308 1079097010 /nfs/dbraw/zinc/09/70/10/1079097010.db2.gz MUBYOZYZPBWUNA-ICSRJNTNSA-N 0 3 401.555 0.862 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000671174312 1079097093 /nfs/dbraw/zinc/09/70/93/1079097093.db2.gz MUBYOZYZPBWUNA-QUCCMNQESA-N 0 3 401.555 0.862 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H](c2ccnn2C)C(C)C)CC1 ZINC000671174316 1079096979 /nfs/dbraw/zinc/09/69/79/1079096979.db2.gz DJSCYRCJQFPIFJ-MSOLQXFVSA-N 0 3 406.575 0.666 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000671174317 1079096877 /nfs/dbraw/zinc/09/68/77/1079096877.db2.gz MUBYOZYZPBWUNA-UYAOXDASSA-N 0 3 401.555 0.862 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1 ZINC000671174325 1079096852 /nfs/dbraw/zinc/09/68/52/1079096852.db2.gz DJSCYRCJQFPIFJ-QZTJIDSGSA-N 0 3 406.575 0.666 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H](c2ccnn2C)C(C)C)CC1 ZINC000671174327 1079097053 /nfs/dbraw/zinc/09/70/53/1079097053.db2.gz DJSCYRCJQFPIFJ-ROUUACIJSA-N 0 3 406.575 0.666 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1 ZINC000671174328 1079096835 /nfs/dbraw/zinc/09/68/35/1079096835.db2.gz DJSCYRCJQFPIFJ-ZWKOTPCHSA-N 0 3 406.575 0.666 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671174396 1079096967 /nfs/dbraw/zinc/09/69/67/1079096967.db2.gz LOSYKWYJRVXJIQ-GOSISDBHSA-N 0 3 421.611 0.782 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671174399 1079096898 /nfs/dbraw/zinc/09/68/98/1079096898.db2.gz LOSYKWYJRVXJIQ-SFHVURJKSA-N 0 3 421.611 0.782 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000671239942 1079140216 /nfs/dbraw/zinc/14/02/16/1079140216.db2.gz PGTJOXFRTSGXQY-PMACEKPBSA-N 0 3 423.579 0.903 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000671239943 1079140270 /nfs/dbraw/zinc/14/02/70/1079140270.db2.gz PGTJOXFRTSGXQY-UXHICEINSA-N 0 3 423.579 0.903 20 0 HCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000671239944 1079140281 /nfs/dbraw/zinc/14/02/81/1079140281.db2.gz PGTJOXFRTSGXQY-VQTJNVASSA-N 0 3 423.579 0.903 20 0 HCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000671239945 1079140178 /nfs/dbraw/zinc/14/01/78/1079140178.db2.gz PGTJOXFRTSGXQY-WOJBJXKFSA-N 0 3 423.579 0.903 20 0 HCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC3(CCOCC3)CC2)CC1 ZINC000671251913 1079140932 /nfs/dbraw/zinc/14/09/32/1079140932.db2.gz ACPIJFVCBLBWMK-UHFFFAOYSA-N 0 3 413.526 0.905 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000671259601 1079142623 /nfs/dbraw/zinc/14/26/23/1079142623.db2.gz QFQITLSFSZTKEH-CYBMUJFWSA-N 0 3 406.458 0.619 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000671259602 1079142659 /nfs/dbraw/zinc/14/26/59/1079142659.db2.gz QFQITLSFSZTKEH-ZDUSSCGKSA-N 0 3 406.458 0.619 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000671265085 1079149529 /nfs/dbraw/zinc/14/95/29/1079149529.db2.gz SGFSIYDGMDTMRL-HNNXBMFYSA-N 0 3 403.483 0.173 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000671265086 1079149488 /nfs/dbraw/zinc/14/94/88/1079149488.db2.gz SGFSIYDGMDTMRL-OAHLLOKOSA-N 0 3 403.483 0.173 20 0 HCADHN COCC(=O)N1CCC(NC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000671288779 1079165150 /nfs/dbraw/zinc/16/51/50/1079165150.db2.gz NBQSGNCJLRXPIM-UHFFFAOYSA-N 0 3 422.570 0.903 20 0 HCADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671307964 1079202460 /nfs/dbraw/zinc/20/24/60/1079202460.db2.gz VJOQGLHTZHLVRL-HOTGVXAUSA-N 0 3 406.531 0.267 20 0 HCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671307965 1079202305 /nfs/dbraw/zinc/20/23/05/1079202305.db2.gz VJOQGLHTZHLVRL-HZPDHXFCSA-N 0 3 406.531 0.267 20 0 HCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671307966 1079202360 /nfs/dbraw/zinc/20/23/60/1079202360.db2.gz VJOQGLHTZHLVRL-IYBDPMFKSA-N 0 3 406.531 0.267 20 0 HCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671308488 1079202849 /nfs/dbraw/zinc/20/28/49/1079202849.db2.gz YEUHKZGTEVHZOD-CVEARBPZSA-N 0 3 406.531 0.124 20 0 HCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671308489 1079202995 /nfs/dbraw/zinc/20/29/95/1079202995.db2.gz YEUHKZGTEVHZOD-HOTGVXAUSA-N 0 3 406.531 0.124 20 0 HCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671308490 1079202963 /nfs/dbraw/zinc/20/29/63/1079202963.db2.gz YEUHKZGTEVHZOD-HZPDHXFCSA-N 0 3 406.531 0.124 20 0 HCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671308491 1079202895 /nfs/dbraw/zinc/20/28/95/1079202895.db2.gz YEUHKZGTEVHZOD-JKSUJKDBSA-N 0 3 406.531 0.124 20 0 HCADHN CN(CCN1CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)CC1)Cc1ccccc1 ZINC000671333336 1079225305 /nfs/dbraw/zinc/22/53/05/1079225305.db2.gz 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ZINC000671343594 1079233889 /nfs/dbraw/zinc/23/38/89/1079233889.db2.gz AMMOOISFZZWZFP-SFHVURJKSA-N 0 3 417.554 0.928 20 0 HCADHN Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000671343697 1079233337 /nfs/dbraw/zinc/23/33/37/1079233337.db2.gz PMZWLMMUYGHBKI-IBGZPJMESA-N 0 3 410.522 0.723 20 0 HCADHN Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000671343698 1079233474 /nfs/dbraw/zinc/23/34/74/1079233474.db2.gz PMZWLMMUYGHBKI-LJQANCHMSA-N 0 3 410.522 0.723 20 0 HCADHN CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000671343745 1079233165 /nfs/dbraw/zinc/23/31/65/1079233165.db2.gz YEFXGHVFBKPMRK-FQEVSTJZSA-N 0 3 404.555 0.845 20 0 HCADHN CC(C)OCCN1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000671343746 1079233357 /nfs/dbraw/zinc/23/33/57/1079233357.db2.gz YEFXGHVFBKPMRK-HXUWFJFHSA-N 0 3 404.555 0.845 20 0 HCADHN COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000671344265 1079230732 /nfs/dbraw/zinc/23/07/32/1079230732.db2.gz VYPUWQQAIMGZTB-IBGZPJMESA-N 0 3 418.538 0.277 20 0 HCADHN COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000671344266 1079231122 /nfs/dbraw/zinc/23/11/22/1079231122.db2.gz VYPUWQQAIMGZTB-LJQANCHMSA-N 0 3 418.538 0.277 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1ccccc1N1CCCC1 ZINC000671345270 1079232650 /nfs/dbraw/zinc/23/26/50/1079232650.db2.gz RDDPDHOYESGSOJ-UHFFFAOYSA-N 0 3 401.555 0.999 20 0 HCADHN CCN(CCCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362557 1079252461 /nfs/dbraw/zinc/25/24/61/1079252461.db2.gz MVEKSNAFDZFJDX-GOSISDBHSA-N 0 3 424.567 0.507 20 0 HCADHN CCN(CCCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362559 1079252393 /nfs/dbraw/zinc/25/23/93/1079252393.db2.gz MVEKSNAFDZFJDX-SFHVURJKSA-N 0 3 424.567 0.507 20 0 HCADHN CCN1C[C@@H](CN(C)C(=O)C(=O)NC2CCN(CCOC)CC2)Oc2ccccc21 ZINC000671373614 1079270300 /nfs/dbraw/zinc/27/03/00/1079270300.db2.gz MVKXHDNTEGJFRD-GOSISDBHSA-N 0 3 418.538 0.959 20 0 HCADHN CCN1C[C@H](CN(C)C(=O)C(=O)NC2CCN(CCOC)CC2)Oc2ccccc21 ZINC000671373615 1079270488 /nfs/dbraw/zinc/27/04/88/1079270488.db2.gz MVKXHDNTEGJFRD-SFHVURJKSA-N 0 3 418.538 0.959 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671373641 1079270414 /nfs/dbraw/zinc/27/04/14/1079270414.db2.gz YOWMYRPDGPNDEO-INIZCTEOSA-N 0 3 410.465 0.887 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671373642 1079270349 /nfs/dbraw/zinc/27/03/49/1079270349.db2.gz YOWMYRPDGPNDEO-MRXNPFEDSA-N 0 3 410.465 0.887 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)N2CCN(c3nccc(C(C)C)n3)CC2)CC1 ZINC000671374291 1079268560 /nfs/dbraw/zinc/26/85/60/1079268560.db2.gz UBZSHYPBDYTNPR-UHFFFAOYSA-N 0 3 418.542 0.476 20 0 HCADHN COCCN1CCC(NC(=O)C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)CC1 ZINC000671375283 1079270590 /nfs/dbraw/zinc/27/05/90/1079270590.db2.gz OFDRYTVOOHLXSQ-UHFFFAOYSA-N 0 3 422.570 0.901 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccc(F)cc2F)CC1 ZINC000671380159 1080878356 /nfs/dbraw/zinc/87/83/56/1080878356.db2.gz VEIOVGLTZAGFGN-KRWDZBQOSA-N 0 3 408.449 0.389 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccc(F)cc2F)CC1 ZINC000671380160 1080878437 /nfs/dbraw/zinc/87/84/37/1080878437.db2.gz VEIOVGLTZAGFGN-QGZVFWFLSA-N 0 3 408.449 0.389 20 0 HCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C1 ZINC000671389836 1079278055 /nfs/dbraw/zinc/27/80/55/1079278055.db2.gz JHFJHJYKWFVRLG-IBGZPJMESA-N 0 3 424.501 0.900 20 0 HCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C1 ZINC000671389837 1079278255 /nfs/dbraw/zinc/27/82/55/1079278255.db2.gz JHFJHJYKWFVRLG-LJQANCHMSA-N 0 3 424.501 0.900 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671393923 1079280133 /nfs/dbraw/zinc/28/01/33/1079280133.db2.gz BWRGNYTYWWTJRB-UHFFFAOYSA-N 0 3 415.538 0.131 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671394802 1079280253 /nfs/dbraw/zinc/28/02/53/1079280253.db2.gz OHTYQGSOOIUQMI-UHFFFAOYSA-N 0 3 409.490 0.871 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCN1Cc2ccccc2C1 ZINC000671398246 1079284982 /nfs/dbraw/zinc/28/49/82/1079284982.db2.gz XBPDBICUDNTMHA-IBGZPJMESA-N 0 3 415.538 0.177 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCN1Cc2ccccc2C1 ZINC000671398247 1079284808 /nfs/dbraw/zinc/28/48/08/1079284808.db2.gz XBPDBICUDNTMHA-LJQANCHMSA-N 0 3 415.538 0.177 20 0 HCADHN CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000671399526 1079285513 /nfs/dbraw/zinc/28/55/13/1079285513.db2.gz FBMIIPSBCJEWMD-FQEVSTJZSA-N 0 3 412.600 0.643 20 0 HCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000671404588 1079289381 /nfs/dbraw/zinc/28/93/81/1079289381.db2.gz ONCPTRBAOJCHNH-CVEARBPZSA-N 0 3 424.567 0.935 20 0 HCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000671404590 1079289226 /nfs/dbraw/zinc/28/92/26/1079289226.db2.gz ONCPTRBAOJCHNH-HOTGVXAUSA-N 0 3 424.567 0.935 20 0 HCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000671404592 1079289440 /nfs/dbraw/zinc/28/94/40/1079289440.db2.gz ONCPTRBAOJCHNH-HZPDHXFCSA-N 0 3 424.567 0.935 20 0 HCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000671404593 1079289312 /nfs/dbraw/zinc/28/93/12/1079289312.db2.gz ONCPTRBAOJCHNH-JKSUJKDBSA-N 0 3 424.567 0.935 20 0 HCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000671404598 1079288812 /nfs/dbraw/zinc/28/88/12/1079288812.db2.gz OWAPVADYKBYZLF-BRWVUGGUSA-N 0 3 415.538 0.717 20 0 HCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000671404609 1079288629 /nfs/dbraw/zinc/28/86/29/1079288629.db2.gz OWAPVADYKBYZLF-IKGGRYGDSA-N 0 3 415.538 0.717 20 0 HCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000671404610 1079288692 /nfs/dbraw/zinc/28/86/92/1079288692.db2.gz OWAPVADYKBYZLF-IXDOHACOSA-N 0 3 415.538 0.717 20 0 HCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000671404611 1079288785 /nfs/dbraw/zinc/28/87/85/1079288785.db2.gz OWAPVADYKBYZLF-ZACQAIPSSA-N 0 3 415.538 0.717 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000671417479 1079306495 /nfs/dbraw/zinc/30/64/95/1079306495.db2.gz MQJYTMOZKIRRPW-GDBMZVCRSA-N 0 3 410.540 0.763 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000671417480 1079306413 /nfs/dbraw/zinc/30/64/13/1079306413.db2.gz MQJYTMOZKIRRPW-GOEBONIOSA-N 0 3 410.540 0.763 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000671417481 1079306529 /nfs/dbraw/zinc/30/65/29/1079306529.db2.gz MQJYTMOZKIRRPW-HOCLYGCPSA-N 0 3 410.540 0.763 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000671417482 1079306609 /nfs/dbraw/zinc/30/66/09/1079306609.db2.gz MQJYTMOZKIRRPW-ZBFHGGJFSA-N 0 3 410.540 0.763 20 0 HCADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000671417689 1079305533 /nfs/dbraw/zinc/30/55/33/1079305533.db2.gz CDFZBSDMFDXTME-BBRMVZONSA-N 0 3 408.524 0.372 20 0 HCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000671417690 1079305559 /nfs/dbraw/zinc/30/55/59/1079305559.db2.gz CDFZBSDMFDXTME-CJNGLKHVSA-N 0 3 408.524 0.372 20 0 HCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000671417691 1079305685 /nfs/dbraw/zinc/30/56/85/1079305685.db2.gz CDFZBSDMFDXTME-CZUORRHYSA-N 0 3 408.524 0.372 20 0 HCADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000671417692 1079305768 /nfs/dbraw/zinc/30/57/68/1079305768.db2.gz CDFZBSDMFDXTME-XJKSGUPXSA-N 0 3 408.524 0.372 20 0 HCADHN CN(CCNC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000671419144 1079306984 /nfs/dbraw/zinc/30/69/84/1079306984.db2.gz BANLZTOQGYABFK-GOSISDBHSA-N 0 3 408.930 0.728 20 0 HCADHN CN(CCNC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000671419145 1079307115 /nfs/dbraw/zinc/30/71/15/1079307115.db2.gz BANLZTOQGYABFK-SFHVURJKSA-N 0 3 408.930 0.728 20 0 HCADHN O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000671672503 1079707870 /nfs/dbraw/zinc/70/78/70/1079707870.db2.gz DCBBWTBRIFANGO-HNNXBMFYSA-N 0 3 421.523 0.555 20 0 HCADHN O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000671672504 1079708039 /nfs/dbraw/zinc/70/80/39/1079708039.db2.gz DCBBWTBRIFANGO-OAHLLOKOSA-N 0 3 421.523 0.555 20 0 HCADHN O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC1CCN([C@H]2CCOC2)CC1 ZINC000671773903 1080018396 /nfs/dbraw/zinc/01/83/96/1080018396.db2.gz ANEKBCVUSMOYJQ-AWEZNQCLSA-N 0 3 407.496 0.211 20 0 HCADHN O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC1CCN([C@@H]2CCOC2)CC1 ZINC000671773904 1080018509 /nfs/dbraw/zinc/01/85/09/1080018509.db2.gz ANEKBCVUSMOYJQ-CQSZACIVSA-N 0 3 407.496 0.211 20 0 HCADHN O=C(CNS(=O)(=O)c1c[n-]c2ncccc12)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000671775277 1080018972 /nfs/dbraw/zinc/01/89/72/1080018972.db2.gz SDHAQCVAJZPKQE-HNNXBMFYSA-N 0 3 421.523 0.555 20 0 HCADHN O=C(CNS(=O)(=O)c1c[n-]c2ncccc12)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000671775278 1080018752 /nfs/dbraw/zinc/01/87/52/1080018752.db2.gz SDHAQCVAJZPKQE-OAHLLOKOSA-N 0 3 421.523 0.555 20 0 HCADHN CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000671785770 1080021025 /nfs/dbraw/zinc/02/10/25/1080021025.db2.gz ANKBGVQXPSDPSQ-MOPGFXCFSA-N 0 3 424.567 0.162 20 0 HCADHN CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000671785771 1080020764 /nfs/dbraw/zinc/02/07/64/1080020764.db2.gz ANKBGVQXPSDPSQ-OALUTQOASA-N 0 3 424.567 0.162 20 0 HCADHN CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000671785772 1080020670 /nfs/dbraw/zinc/02/06/70/1080020670.db2.gz ANKBGVQXPSDPSQ-RBUKOAKNSA-N 0 3 424.567 0.162 20 0 HCADHN CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000671785773 1080020872 /nfs/dbraw/zinc/02/08/72/1080020872.db2.gz ANKBGVQXPSDPSQ-RTBURBONSA-N 0 3 424.567 0.162 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000671806419 1080031744 /nfs/dbraw/zinc/03/17/44/1080031744.db2.gz ZLPDGCDPXMYHRO-MOPGFXCFSA-N 0 3 416.522 0.812 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000671806421 1080031708 /nfs/dbraw/zinc/03/17/08/1080031708.db2.gz ZLPDGCDPXMYHRO-OALUTQOASA-N 0 3 416.522 0.812 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000671806423 1080032067 /nfs/dbraw/zinc/03/20/67/1080032067.db2.gz ZLPDGCDPXMYHRO-RBUKOAKNSA-N 0 3 416.522 0.812 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000671806424 1080032007 /nfs/dbraw/zinc/03/20/07/1080032007.db2.gz ZLPDGCDPXMYHRO-RTBURBONSA-N 0 3 416.522 0.812 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000671829828 1080051223 /nfs/dbraw/zinc/05/12/23/1080051223.db2.gz YRTPUMMJVKGXJH-HNNXBMFYSA-N 0 3 412.481 0.944 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000671829829 1080051143 /nfs/dbraw/zinc/05/11/43/1080051143.db2.gz YRTPUMMJVKGXJH-OAHLLOKOSA-N 0 3 412.481 0.944 20 0 HCADHN O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671853551 1080065448 /nfs/dbraw/zinc/06/54/48/1080065448.db2.gz RCLMAZWVUSJGNG-PMACEKPBSA-N 0 3 418.513 0.916 20 0 HCADHN O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671853552 1080065515 /nfs/dbraw/zinc/06/55/15/1080065515.db2.gz RCLMAZWVUSJGNG-UXHICEINSA-N 0 3 418.513 0.916 20 0 HCADHN O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671853553 1080065318 /nfs/dbraw/zinc/06/53/18/1080065318.db2.gz RCLMAZWVUSJGNG-VQTJNVASSA-N 0 3 418.513 0.916 20 0 HCADHN O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671853554 1080065379 /nfs/dbraw/zinc/06/53/79/1080065379.db2.gz RCLMAZWVUSJGNG-WOJBJXKFSA-N 0 3 418.513 0.916 20 0 HCADHN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C(=O)N(C)CCN(C)C)CC2)cc1 ZINC000671860213 1080069071 /nfs/dbraw/zinc/06/90/71/1080069071.db2.gz WKQXPYBSJCQNDY-UHFFFAOYSA-N 0 3 424.567 0.585 20 0 HCADHN CC(C)N1CCCN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000671869671 1080097264 /nfs/dbraw/zinc/09/72/64/1080097264.db2.gz RXRKEYYOTWFIST-UHFFFAOYSA-N 0 3 402.543 0.392 20 0 HCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000671872742 1080088253 /nfs/dbraw/zinc/08/82/53/1080088253.db2.gz IEOMBCDTJRIUMS-MSOLQXFVSA-N 0 3 409.575 0.282 20 0 HCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000671872743 1080087950 /nfs/dbraw/zinc/08/79/50/1080087950.db2.gz IEOMBCDTJRIUMS-QZTJIDSGSA-N 0 3 409.575 0.282 20 0 HCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000671872744 1080088076 /nfs/dbraw/zinc/08/80/76/1080088076.db2.gz IEOMBCDTJRIUMS-ROUUACIJSA-N 0 3 409.575 0.282 20 0 HCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000671872745 1080088221 /nfs/dbraw/zinc/08/82/21/1080088221.db2.gz IEOMBCDTJRIUMS-ZWKOTPCHSA-N 0 3 409.575 0.282 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)N1CCC(C)CC1 ZINC000671872862 1080089039 /nfs/dbraw/zinc/08/90/39/1080089039.db2.gz MICRDDOXZDBZSC-DLBZAZTESA-N 0 3 415.538 0.717 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)N1CCC(C)CC1 ZINC000671872863 1080089215 /nfs/dbraw/zinc/08/92/15/1080089215.db2.gz MICRDDOXZDBZSC-IAGOWNOFSA-N 0 3 415.538 0.717 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)N1CCC(C)CC1 ZINC000671872864 1080089161 /nfs/dbraw/zinc/08/91/61/1080089161.db2.gz MICRDDOXZDBZSC-IRXDYDNUSA-N 0 3 415.538 0.717 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)N1CCC(C)CC1 ZINC000671872865 1080089073 /nfs/dbraw/zinc/08/90/73/1080089073.db2.gz MICRDDOXZDBZSC-SJORKVTESA-N 0 3 415.538 0.717 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)N1CCC(C)CC1 ZINC000671873186 1080090022 /nfs/dbraw/zinc/09/00/22/1080090022.db2.gz DIMQTNHZMCNEIX-DLBZAZTESA-N 0 3 416.588 0.543 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)N1CCC(C)CC1 ZINC000671873187 1080090132 /nfs/dbraw/zinc/09/01/32/1080090132.db2.gz DIMQTNHZMCNEIX-IAGOWNOFSA-N 0 3 416.588 0.543 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)N1CCC(C)CC1 ZINC000671873188 1080090047 /nfs/dbraw/zinc/09/00/47/1080090047.db2.gz DIMQTNHZMCNEIX-IRXDYDNUSA-N 0 3 416.588 0.543 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)N1CCC(C)CC1 ZINC000671873189 1080090220 /nfs/dbraw/zinc/09/02/20/1080090220.db2.gz DIMQTNHZMCNEIX-SJORKVTESA-N 0 3 416.588 0.543 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)N1CCC(C)CC1 ZINC000671873488 1080089545 /nfs/dbraw/zinc/08/95/45/1080089545.db2.gz OPDGYSDJAIRJLT-INIZCTEOSA-N 0 3 424.567 0.935 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)N1CCC(C)CC1 ZINC000671873489 1080089729 /nfs/dbraw/zinc/08/97/29/1080089729.db2.gz OPDGYSDJAIRJLT-MRXNPFEDSA-N 0 3 424.567 0.935 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671907116 1080132337 /nfs/dbraw/zinc/13/23/37/1080132337.db2.gz NJOKTLWWPSBFKX-UHFFFAOYSA-N 0 3 411.453 0.585 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671910640 1080122928 /nfs/dbraw/zinc/12/29/28/1080122928.db2.gz MDQVKJZLSJHLCR-UHFFFAOYSA-N 0 3 404.502 0.838 20 0 HCADHN COc1cccc(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)n1 ZINC000671918117 1080138932 /nfs/dbraw/zinc/13/89/32/1080138932.db2.gz QDFGPTSKTOJKTA-UHFFFAOYSA-N 0 3 412.490 0.980 20 0 HCADHN C[C@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)N1CCc2ccccc21 ZINC000671933725 1080153579 /nfs/dbraw/zinc/15/35/79/1080153579.db2.gz DMIRFELCSLKNNZ-GOSISDBHSA-N 0 3 401.555 0.650 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)N1CCc2ccccc21 ZINC000671933726 1080153108 /nfs/dbraw/zinc/15/31/08/1080153108.db2.gz DMIRFELCSLKNNZ-SFHVURJKSA-N 0 3 401.555 0.650 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1(C)C ZINC000671944994 1080170452 /nfs/dbraw/zinc/17/04/52/1080170452.db2.gz FVQJMHWWUVMINY-UHFFFAOYSA-N 0 3 401.555 0.698 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCN1CCCc2ccccc21 ZINC000671946151 1080171437 /nfs/dbraw/zinc/17/14/37/1080171437.db2.gz XFGKANJPHAUHHB-UHFFFAOYSA-N 0 3 401.555 0.651 20 0 HCADHN O=C(CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671948744 1080173232 /nfs/dbraw/zinc/17/32/32/1080173232.db2.gz OCXHNWTYVGTMCA-GOSISDBHSA-N 0 3 413.522 0.052 20 0 HCADHN O=C(CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000671948747 1080173348 /nfs/dbraw/zinc/17/33/48/1080173348.db2.gz OCXHNWTYVGTMCA-SFHVURJKSA-N 0 3 413.522 0.052 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000671948777 1080173148 /nfs/dbraw/zinc/17/31/48/1080173148.db2.gz PMZFZLIAFPAXNT-GOSISDBHSA-N 0 3 415.538 0.442 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000671948786 1080172428 /nfs/dbraw/zinc/17/24/28/1080172428.db2.gz PMZFZLIAFPAXNT-SFHVURJKSA-N 0 3 415.538 0.442 20 0 HCADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000671954516 1080159957 /nfs/dbraw/zinc/15/99/57/1080159957.db2.gz BHSPDWVPEOVEHR-DOTOQJQBSA-N 0 3 405.518 0.965 20 0 HCADHN C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000671954517 1080160232 /nfs/dbraw/zinc/16/02/32/1080160232.db2.gz BHSPDWVPEOVEHR-NVXWUHKLSA-N 0 3 405.518 0.965 20 0 HCADHN C[C@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000671954518 1080159535 /nfs/dbraw/zinc/15/95/35/1080159535.db2.gz BHSPDWVPEOVEHR-RDJZCZTQSA-N 0 3 405.518 0.965 20 0 HCADHN C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000671954519 1080160112 /nfs/dbraw/zinc/16/01/12/1080160112.db2.gz BHSPDWVPEOVEHR-WBVHZDCISA-N 0 3 405.518 0.965 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)CN1CCOCC1 ZINC000671960449 1080167131 /nfs/dbraw/zinc/16/71/31/1080167131.db2.gz RIJXQJKDRQVVEG-AZUAARDMSA-N 0 3 402.539 0.804 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)CN1CCOCC1 ZINC000671960450 1080167253 /nfs/dbraw/zinc/16/72/53/1080167253.db2.gz RIJXQJKDRQVVEG-ICSRJNTNSA-N 0 3 402.539 0.804 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)CN1CCOCC1 ZINC000671960451 1080167591 /nfs/dbraw/zinc/16/75/91/1080167591.db2.gz RIJXQJKDRQVVEG-QUCCMNQESA-N 0 3 402.539 0.804 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)CN1CCOCC1 ZINC000671960452 1080167721 /nfs/dbraw/zinc/16/77/21/1080167721.db2.gz RIJXQJKDRQVVEG-UYAOXDASSA-N 0 3 402.539 0.804 20 0 HCADHN CO[C@H]1C[C@@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)N(C)C1 ZINC000671960494 1080166749 /nfs/dbraw/zinc/16/67/49/1080166749.db2.gz BZXBQSWJEACSSR-JQFCIGGWSA-N 0 3 411.524 0.734 20 0 HCADHN COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000671964628 1080180554 /nfs/dbraw/zinc/18/05/54/1080180554.db2.gz LBJWWOQAGULBSH-KRWDZBQOSA-N 0 3 417.510 0.088 20 0 HCADHN COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000671964629 1080179996 /nfs/dbraw/zinc/17/99/96/1080179996.db2.gz LBJWWOQAGULBSH-QGZVFWFLSA-N 0 3 417.510 0.088 20 0 HCADHN COc1nc(C)cc(C)c1CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000671964804 1080179944 /nfs/dbraw/zinc/17/99/44/1080179944.db2.gz PWRHXMXBDPVOLR-KRWDZBQOSA-N 0 3 419.526 0.382 20 0 HCADHN COc1nc(C)cc(C)c1CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000671964805 1080180140 /nfs/dbraw/zinc/18/01/40/1080180140.db2.gz PWRHXMXBDPVOLR-QGZVFWFLSA-N 0 3 419.526 0.382 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671965521 1080181382 /nfs/dbraw/zinc/18/13/82/1080181382.db2.gz HDCINGXYQNDQME-UHFFFAOYSA-N 0 3 419.526 0.336 20 0 HCADHN COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000671966597 1080182096 /nfs/dbraw/zinc/18/20/96/1080182096.db2.gz HJLCSOMLQXHSQF-UHFFFAOYSA-N 0 3 417.510 0.090 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000671979986 1080189933 /nfs/dbraw/zinc/18/99/33/1080189933.db2.gz WXDFIPWRXJPODX-MSOLQXFVSA-N 0 3 414.506 0.782 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000671979987 1080190118 /nfs/dbraw/zinc/19/01/18/1080190118.db2.gz WXDFIPWRXJPODX-QZTJIDSGSA-N 0 3 414.506 0.782 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000671979988 1080189900 /nfs/dbraw/zinc/18/99/00/1080189900.db2.gz WXDFIPWRXJPODX-ROUUACIJSA-N 0 3 414.506 0.782 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000671979989 1080190050 /nfs/dbraw/zinc/19/00/50/1080190050.db2.gz WXDFIPWRXJPODX-ZWKOTPCHSA-N 0 3 414.506 0.782 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)CC1 ZINC000672041468 1080277483 /nfs/dbraw/zinc/27/74/83/1080277483.db2.gz BSYSASMHEFOBIM-UHFFFAOYSA-N 0 3 417.510 0.552 20 0 HCADHN CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000672042743 1080277865 /nfs/dbraw/zinc/27/78/65/1080277865.db2.gz GLWCVLBOMUIYCV-UHFFFAOYSA-N 0 3 415.538 0.526 20 0 HCADHN CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000672044648 1080280531 /nfs/dbraw/zinc/28/05/31/1080280531.db2.gz IPBJFOFTQXZNIE-BPUTZDHNSA-N 0 3 414.528 0.670 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC(C)(C)c1ccncc1 ZINC000672110624 1080390141 /nfs/dbraw/zinc/39/01/41/1080390141.db2.gz KXAJEVCVSRVOCZ-KRWDZBQOSA-N 0 3 403.527 0.534 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCC(C)(C)c1ccncc1 ZINC000672110625 1080390623 /nfs/dbraw/zinc/39/06/23/1080390623.db2.gz KXAJEVCVSRVOCZ-QGZVFWFLSA-N 0 3 403.527 0.534 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCOc2ccccc2C1 ZINC000672110628 1080390664 /nfs/dbraw/zinc/39/06/64/1080390664.db2.gz LTODSLDDFCUEAQ-KRWDZBQOSA-N 0 3 402.495 0.467 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCOc2ccccc2C1 ZINC000672110629 1080390933 /nfs/dbraw/zinc/39/09/33/1080390933.db2.gz LTODSLDDFCUEAQ-QGZVFWFLSA-N 0 3 402.495 0.467 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000672110638 1080390860 /nfs/dbraw/zinc/39/08/60/1080390860.db2.gz OSASYWNLMNYCQB-GOSISDBHSA-N 0 3 422.476 0.908 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000672110639 1080391053 /nfs/dbraw/zinc/39/10/53/1080391053.db2.gz OSASYWNLMNYCQB-SFHVURJKSA-N 0 3 422.476 0.908 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC000672110660 1080390579 /nfs/dbraw/zinc/39/05/79/1080390579.db2.gz SFFQVIUPNICXKQ-KRWDZBQOSA-N 0 3 408.543 0.465 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC000672110661 1080390972 /nfs/dbraw/zinc/39/09/72/1080390972.db2.gz SFFQVIUPNICXKQ-QGZVFWFLSA-N 0 3 408.543 0.465 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000672110668 1080388322 /nfs/dbraw/zinc/38/83/22/1080388322.db2.gz UVAQKIYQUPSVFP-FXAWDEMLSA-N 0 3 414.550 0.967 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000672110669 1080388630 /nfs/dbraw/zinc/38/86/30/1080388630.db2.gz UVAQKIYQUPSVFP-PXNSSMCTSA-N 0 3 414.550 0.967 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000672110670 1080388716 /nfs/dbraw/zinc/38/87/16/1080388716.db2.gz UVAQKIYQUPSVFP-XLIONFOSSA-N 0 3 414.550 0.967 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000672110671 1080388223 /nfs/dbraw/zinc/38/82/23/1080388223.db2.gz UVAQKIYQUPSVFP-YLJYHZDGSA-N 0 3 414.550 0.967 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCc2ccc(O)cc2C1 ZINC000672110676 1080388403 /nfs/dbraw/zinc/38/84/03/1080388403.db2.gz WRSGVEXRIVLFOG-GOSISDBHSA-N 0 3 402.495 0.336 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCc2ccc(O)cc2C1 ZINC000672110677 1080388551 /nfs/dbraw/zinc/38/85/51/1080388551.db2.gz WRSGVEXRIVLFOG-SFHVURJKSA-N 0 3 402.495 0.336 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000672110692 1080388436 /nfs/dbraw/zinc/38/84/36/1080388436.db2.gz IKNYQJVQMKKDFY-DOTOQJQBSA-N 0 3 404.515 0.175 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000672110693 1080388512 /nfs/dbraw/zinc/38/85/12/1080388512.db2.gz IKNYQJVQMKKDFY-NVXWUHKLSA-N 0 3 404.515 0.175 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000672110694 1080388684 /nfs/dbraw/zinc/38/86/84/1080388684.db2.gz IKNYQJVQMKKDFY-RDJZCZTQSA-N 0 3 404.515 0.175 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000672110695 1080388288 /nfs/dbraw/zinc/38/82/88/1080388288.db2.gz IKNYQJVQMKKDFY-WBVHZDCISA-N 0 3 404.515 0.175 20 0 HCADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672110807 1080390168 /nfs/dbraw/zinc/39/01/68/1080390168.db2.gz OYCJFZKAJBHLQY-MSOLQXFVSA-N 0 3 418.542 0.451 20 0 HCADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672110810 1080390259 /nfs/dbraw/zinc/39/02/59/1080390259.db2.gz OYCJFZKAJBHLQY-QZTJIDSGSA-N 0 3 418.542 0.451 20 0 HCADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672110811 1080390001 /nfs/dbraw/zinc/39/00/01/1080390001.db2.gz OYCJFZKAJBHLQY-ROUUACIJSA-N 0 3 418.542 0.451 20 0 HCADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672110812 1080389914 /nfs/dbraw/zinc/38/99/14/1080389914.db2.gz OYCJFZKAJBHLQY-ZWKOTPCHSA-N 0 3 418.542 0.451 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000672110881 1080389870 /nfs/dbraw/zinc/38/98/70/1080389870.db2.gz OUCVXSMVXFSNNU-DOTOQJQBSA-N 0 3 406.483 0.238 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000672110883 1080390229 /nfs/dbraw/zinc/39/02/29/1080390229.db2.gz OUCVXSMVXFSNNU-NVXWUHKLSA-N 0 3 406.483 0.238 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000672110884 1080390298 /nfs/dbraw/zinc/39/02/98/1080390298.db2.gz OUCVXSMVXFSNNU-RDJZCZTQSA-N 0 3 406.483 0.238 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000672110885 1080389968 /nfs/dbraw/zinc/38/99/68/1080389968.db2.gz OUCVXSMVXFSNNU-WBVHZDCISA-N 0 3 406.483 0.238 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC(c2ccccn2)CC1 ZINC000672110913 1080390093 /nfs/dbraw/zinc/39/00/93/1080390093.db2.gz YSWAYVJQUYWRJZ-IBGZPJMESA-N 0 3 415.538 0.847 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC(c2ccccn2)CC1 ZINC000672110916 1080390035 /nfs/dbraw/zinc/39/00/35/1080390035.db2.gz YSWAYVJQUYWRJZ-LJQANCHMSA-N 0 3 415.538 0.847 20 0 HCADHN COc1cnccc1[C@@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672110998 1080389498 /nfs/dbraw/zinc/38/94/98/1080389498.db2.gz VXKOSQBNCRAMLT-GDBMZVCRSA-N 0 3 405.499 0.326 20 0 HCADHN COc1cnccc1[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672110999 1080389344 /nfs/dbraw/zinc/38/93/44/1080389344.db2.gz VXKOSQBNCRAMLT-GOEBONIOSA-N 0 3 405.499 0.326 20 0 HCADHN COc1cnccc1[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672111000 1080389180 /nfs/dbraw/zinc/38/91/80/1080389180.db2.gz VXKOSQBNCRAMLT-HOCLYGCPSA-N 0 3 405.499 0.326 20 0 HCADHN COc1cnccc1[C@@H](C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672111001 1080389382 /nfs/dbraw/zinc/38/93/82/1080389382.db2.gz VXKOSQBNCRAMLT-ZBFHGGJFSA-N 0 3 405.499 0.326 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000672111002 1080389462 /nfs/dbraw/zinc/38/94/62/1080389462.db2.gz WCLBYPPLCSURCM-MOPGFXCFSA-N 0 3 415.538 0.348 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000672111003 1080389323 /nfs/dbraw/zinc/38/93/23/1080389323.db2.gz WCLBYPPLCSURCM-OALUTQOASA-N 0 3 415.538 0.348 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000672111004 1080389280 /nfs/dbraw/zinc/38/92/80/1080389280.db2.gz WCLBYPPLCSURCM-RBUKOAKNSA-N 0 3 415.538 0.348 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000672111005 1080389563 /nfs/dbraw/zinc/38/95/63/1080389563.db2.gz WCLBYPPLCSURCM-RTBURBONSA-N 0 3 415.538 0.348 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000672111036 1080389217 /nfs/dbraw/zinc/38/92/17/1080389217.db2.gz HISFJRFZTSDKBO-CVEARBPZSA-N 0 3 406.483 0.238 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000672111037 1080389520 /nfs/dbraw/zinc/38/95/20/1080389520.db2.gz HISFJRFZTSDKBO-HOTGVXAUSA-N 0 3 406.483 0.238 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000672111038 1080390334 /nfs/dbraw/zinc/39/03/34/1080390334.db2.gz HISFJRFZTSDKBO-HZPDHXFCSA-N 0 3 406.483 0.238 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000672111039 1080393090 /nfs/dbraw/zinc/39/30/90/1080393090.db2.gz HISFJRFZTSDKBO-JKSUJKDBSA-N 0 3 406.483 0.238 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCOc2cccc(F)c2C1 ZINC000672111054 1080392978 /nfs/dbraw/zinc/39/29/78/1080392978.db2.gz JSCPYCGADFFMEH-KRWDZBQOSA-N 0 3 420.485 0.606 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCOc2cccc(F)c2C1 ZINC000672111055 1080392860 /nfs/dbraw/zinc/39/28/60/1080392860.db2.gz JSCPYCGADFFMEH-QGZVFWFLSA-N 0 3 420.485 0.606 20 0 HCADHN COc1cc(C)cc(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000672111082 1080393008 /nfs/dbraw/zinc/39/30/08/1080393008.db2.gz PUCNLIWXNKJGLN-GOSISDBHSA-N 0 3 404.511 0.679 20 0 HCADHN COc1cc(C)cc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000672111083 1080392894 /nfs/dbraw/zinc/39/28/94/1080392894.db2.gz PUCNLIWXNKJGLN-SFHVURJKSA-N 0 3 404.511 0.679 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC000672111100 1080392924 /nfs/dbraw/zinc/39/29/24/1080392924.db2.gz USODENCRHQPOHQ-HZSPNIEDSA-N 0 3 422.448 0.224 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C(F)(F)F)O1 ZINC000672111101 1080393137 /nfs/dbraw/zinc/39/31/37/1080393137.db2.gz USODENCRHQPOHQ-MCIONIFRSA-N 0 3 422.448 0.224 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC000672111102 1080393054 /nfs/dbraw/zinc/39/30/54/1080393054.db2.gz USODENCRHQPOHQ-MGPQQGTHSA-N 0 3 422.448 0.224 20 0 HCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](C(F)(F)F)O1 ZINC000672111103 1080393684 /nfs/dbraw/zinc/39/36/84/1080393684.db2.gz USODENCRHQPOHQ-RDBSUJKOSA-N 0 3 422.448 0.224 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000672111143 1080393600 /nfs/dbraw/zinc/39/36/00/1080393600.db2.gz JDONJGCGEZHFAX-AEFFLSMTSA-N 0 3 418.542 0.315 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000672111144 1080393547 /nfs/dbraw/zinc/39/35/47/1080393547.db2.gz JDONJGCGEZHFAX-FUHWJXTLSA-N 0 3 418.542 0.315 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000672111145 1080393784 /nfs/dbraw/zinc/39/37/84/1080393784.db2.gz JDONJGCGEZHFAX-SJLPKXTDSA-N 0 3 418.542 0.315 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000672111146 1080393660 /nfs/dbraw/zinc/39/36/60/1080393660.db2.gz JDONJGCGEZHFAX-WMZOPIPTSA-N 0 3 418.542 0.315 20 0 HCADHN CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccnn1C ZINC000672111163 1080394544 /nfs/dbraw/zinc/39/45/44/1080394544.db2.gz RTJFZJIIXMTVTO-AEFFLSMTSA-N 0 3 420.558 0.335 20 0 HCADHN CC(C)[C@H](CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccnn1C ZINC000672111164 1080394595 /nfs/dbraw/zinc/39/45/95/1080394595.db2.gz RTJFZJIIXMTVTO-FUHWJXTLSA-N 0 3 420.558 0.335 20 0 HCADHN CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccnn1C ZINC000672111165 1080394349 /nfs/dbraw/zinc/39/43/49/1080394349.db2.gz RTJFZJIIXMTVTO-SJLPKXTDSA-N 0 3 420.558 0.335 20 0 HCADHN CC(C)[C@H](CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccnn1C ZINC000672111166 1080394141 /nfs/dbraw/zinc/39/41/41/1080394141.db2.gz RTJFZJIIXMTVTO-WMZOPIPTSA-N 0 3 420.558 0.335 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000672111232 1080394490 /nfs/dbraw/zinc/39/44/90/1080394490.db2.gz ODOHGNWSNXDCMG-KBPBESRZSA-N 0 3 404.458 0.276 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000672111233 1080394105 /nfs/dbraw/zinc/39/41/05/1080394105.db2.gz ODOHGNWSNXDCMG-KGLIPLIRSA-N 0 3 404.458 0.276 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000672111234 1080394234 /nfs/dbraw/zinc/39/42/34/1080394234.db2.gz ODOHGNWSNXDCMG-UONOGXRCSA-N 0 3 404.458 0.276 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000672111235 1080394395 /nfs/dbraw/zinc/39/43/95/1080394395.db2.gz ODOHGNWSNXDCMG-ZIAGYGMSSA-N 0 3 404.458 0.276 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000672111245 1080394516 /nfs/dbraw/zinc/39/45/16/1080394516.db2.gz RPRYOQGPFDLGHM-DLBZAZTESA-N 0 3 410.559 0.757 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000672111246 1080394620 /nfs/dbraw/zinc/39/46/20/1080394620.db2.gz RPRYOQGPFDLGHM-IAGOWNOFSA-N 0 3 410.559 0.757 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 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1080505890 /nfs/dbraw/zinc/50/58/90/1080505890.db2.gz JMYPJEGDLPXEID-IAGOWNOFSA-N 0 3 404.559 0.360 20 0 HCADHN C[C@@H](O)CN1CCN(c2cc(C3CC3)nc(N3CCN(C[C@H](C)O)CC3)n2)CC1 ZINC000672207148 1080506156 /nfs/dbraw/zinc/50/61/56/1080506156.db2.gz JMYPJEGDLPXEID-SJORKVTESA-N 0 3 404.559 0.360 20 0 HCADHN O[C@@H]1CCC[C@@H]1N1CCN(c2cncc(N3CCN([C@H]4CCC[C@H]4O)CC3)n2)CC1 ZINC000672207521 1080506533 /nfs/dbraw/zinc/50/65/33/1080506533.db2.gz PUCUFIPLSIPUIU-VNTMZGSJSA-N 0 3 416.570 0.547 20 0 HCADHN O=C(CN1CCCC1)N1CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000672207901 1080506738 /nfs/dbraw/zinc/50/67/38/1080506738.db2.gz XYOVHWRMIMBJND-UHFFFAOYSA-N 0 3 407.540 0.611 20 0 HCADHN CCCN(CCN1CCCC1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000672211460 1080504645 /nfs/dbraw/zinc/50/46/45/1080504645.db2.gz QFSUAEKLQDFIKX-UHFFFAOYSA-N 0 3 412.556 0.994 20 0 HCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCN(c3ccccc3C(N)=O)C2)n1 ZINC000672214351 1080508119 /nfs/dbraw/zinc/50/81/19/1080508119.db2.gz FWDHCCHJHGWTJM-CYBMUJFWSA-N 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ZINC000672253513 1080531852 /nfs/dbraw/zinc/53/18/52/1080531852.db2.gz LVRUBUSAUAVNON-UHFFFAOYSA-N 0 3 411.576 0.635 20 0 HCADHN COc1ccccc1OCCCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000672258046 1080533312 /nfs/dbraw/zinc/53/33/12/1080533312.db2.gz DBCVQKFEMQMUNS-UHFFFAOYSA-N 0 3 406.527 0.723 20 0 HCADHN COc1cnc(N2CCN(CCO)C(C)(C)C2)nc1N1CCN(CCO)C(C)(C)C1 ZINC000672261047 1080530375 /nfs/dbraw/zinc/53/03/75/1080530375.db2.gz XIBBNPKPFZAOLI-UHFFFAOYSA-N 0 3 422.574 0.271 20 0 HCADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C2 ZINC000672265952 1080536384 /nfs/dbraw/zinc/53/63/84/1080536384.db2.gz DZNNEDWUGYQOGY-INIZCTEOSA-N 0 3 404.511 0.257 20 0 HCADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C2 ZINC000672265953 1080536723 /nfs/dbraw/zinc/53/67/23/1080536723.db2.gz DZNNEDWUGYQOGY-MRXNPFEDSA-N 0 3 404.511 0.257 20 0 HCADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C2 ZINC000672265990 1080536521 /nfs/dbraw/zinc/53/65/21/1080536521.db2.gz FRLDQPJFYHZKHD-KRWDZBQOSA-N 0 3 404.511 0.211 20 0 HCADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C2 ZINC000672265991 1080536637 /nfs/dbraw/zinc/53/66/37/1080536637.db2.gz FRLDQPJFYHZKHD-QGZVFWFLSA-N 0 3 404.511 0.211 20 0 HCADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C2 ZINC000672269525 1080543674 /nfs/dbraw/zinc/54/36/74/1080543674.db2.gz UHEASGDRULALPZ-DLBZAZTESA-N 0 3 405.495 0.684 20 0 HCADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C2 ZINC000672269526 1080543629 /nfs/dbraw/zinc/54/36/29/1080543629.db2.gz UHEASGDRULALPZ-IAGOWNOFSA-N 0 3 405.495 0.684 20 0 HCADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C2 ZINC000672269527 1080543407 /nfs/dbraw/zinc/54/34/07/1080543407.db2.gz UHEASGDRULALPZ-IRXDYDNUSA-N 0 3 405.495 0.684 20 0 HCADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C2 ZINC000672269528 1080543663 /nfs/dbraw/zinc/54/36/63/1080543663.db2.gz UHEASGDRULALPZ-SJORKVTESA-N 0 3 405.495 0.684 20 0 HCADHN O=C(N[C@H]1CCOC1)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000672283940 1080548409 /nfs/dbraw/zinc/54/84/09/1080548409.db2.gz NPZUOCRATFZCCW-MSOLQXFVSA-N 0 3 401.511 0.347 20 0 HCADHN O=C(N[C@@H]1CCOC1)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000672283941 1080548322 /nfs/dbraw/zinc/54/83/22/1080548322.db2.gz NPZUOCRATFZCCW-QZTJIDSGSA-N 0 3 401.511 0.347 20 0 HCADHN O=C(N[C@H]1CCOC1)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000672283942 1080548254 /nfs/dbraw/zinc/54/82/54/1080548254.db2.gz NPZUOCRATFZCCW-ROUUACIJSA-N 0 3 401.511 0.347 20 0 HCADHN O=C(N[C@@H]1CCOC1)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000672283943 1080548362 /nfs/dbraw/zinc/54/83/62/1080548362.db2.gz NPZUOCRATFZCCW-ZWKOTPCHSA-N 0 3 401.511 0.347 20 0 HCADHN CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccn1 ZINC000672286939 1080547682 /nfs/dbraw/zinc/54/76/82/1080547682.db2.gz FGLKDVQWBMLHSW-MSOLQXFVSA-N 0 3 401.511 0.804 20 0 HCADHN CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccn1 ZINC000672286940 1080547744 /nfs/dbraw/zinc/54/77/44/1080547744.db2.gz FGLKDVQWBMLHSW-QZTJIDSGSA-N 0 3 401.511 0.804 20 0 HCADHN CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccn1 ZINC000672286941 1080547924 /nfs/dbraw/zinc/54/79/24/1080547924.db2.gz FGLKDVQWBMLHSW-ROUUACIJSA-N 0 3 401.511 0.804 20 0 HCADHN CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccn1 ZINC000672286942 1080547822 /nfs/dbraw/zinc/54/78/22/1080547822.db2.gz FGLKDVQWBMLHSW-ZWKOTPCHSA-N 0 3 401.511 0.804 20 0 HCADHN CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccn1 ZINC000672294259 1080549913 /nfs/dbraw/zinc/54/99/13/1080549913.db2.gz XQNKISCKYHXTKZ-GOSISDBHSA-N 0 3 401.511 0.806 20 0 HCADHN CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccn1 ZINC000672294260 1080550022 /nfs/dbraw/zinc/55/00/22/1080550022.db2.gz XQNKISCKYHXTKZ-SFHVURJKSA-N 0 3 401.511 0.806 20 0 HCADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672304036 1080554858 /nfs/dbraw/zinc/55/48/58/1080554858.db2.gz FWDGSSYIEVMMRR-HKUYNNGSSA-N 0 3 414.554 0.309 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672304038 1080554951 /nfs/dbraw/zinc/55/49/51/1080554951.db2.gz FWDGSSYIEVMMRR-IEBWSBKVSA-N 0 3 414.554 0.309 20 0 HCADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672304039 1080554724 /nfs/dbraw/zinc/55/47/24/1080554724.db2.gz FWDGSSYIEVMMRR-MJGOQNOKSA-N 0 3 414.554 0.309 20 0 HCADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672304040 1080555331 /nfs/dbraw/zinc/55/53/31/1080555331.db2.gz FWDGSSYIEVMMRR-PKOBYXMFSA-N 0 3 414.554 0.309 20 0 HCADHN CN1CCN([C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c2cccs2)CC1 ZINC000672304119 1080555039 /nfs/dbraw/zinc/55/50/39/1080555039.db2.gz IJMQOHQYYXXTIO-MSOLQXFVSA-N 0 3 419.595 0.753 20 0 HCADHN CN1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c2cccs2)CC1 ZINC000672304120 1080554658 /nfs/dbraw/zinc/55/46/58/1080554658.db2.gz IJMQOHQYYXXTIO-QZTJIDSGSA-N 0 3 419.595 0.753 20 0 HCADHN CN1CCN([C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c2cccs2)CC1 ZINC000672304121 1080555000 /nfs/dbraw/zinc/55/50/00/1080555000.db2.gz IJMQOHQYYXXTIO-ROUUACIJSA-N 0 3 419.595 0.753 20 0 HCADHN CN1CCN([C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c2cccs2)CC1 ZINC000672304123 1080554531 /nfs/dbraw/zinc/55/45/31/1080554531.db2.gz IJMQOHQYYXXTIO-ZWKOTPCHSA-N 0 3 419.595 0.753 20 0 HCADHN Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)nc(C)n1 ZINC000672304220 1080554576 /nfs/dbraw/zinc/55/45/76/1080554576.db2.gz NAJJQPZCYXKNBQ-GOSISDBHSA-N 0 3 400.527 0.779 20 0 HCADHN Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)nc(C)n1 ZINC000672304221 1080554813 /nfs/dbraw/zinc/55/48/13/1080554813.db2.gz NAJJQPZCYXKNBQ-SFHVURJKSA-N 0 3 400.527 0.779 20 0 HCADHN CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2)ncn1 ZINC000672304563 1080552171 /nfs/dbraw/zinc/55/21/71/1080552171.db2.gz YCPTXAFRNCUZJG-MSOLQXFVSA-N 0 3 400.527 0.725 20 0 HCADHN CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)ncn1 ZINC000672304564 1080552109 /nfs/dbraw/zinc/55/21/09/1080552109.db2.gz YCPTXAFRNCUZJG-QZTJIDSGSA-N 0 3 400.527 0.725 20 0 HCADHN CCc1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2)ncn1 ZINC000672304565 1080552281 /nfs/dbraw/zinc/55/22/81/1080552281.db2.gz YCPTXAFRNCUZJG-ROUUACIJSA-N 0 3 400.527 0.725 20 0 HCADHN CCc1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)ncn1 ZINC000672304566 1080552357 /nfs/dbraw/zinc/55/23/57/1080552357.db2.gz YCPTXAFRNCUZJG-ZWKOTPCHSA-N 0 3 400.527 0.725 20 0 HCADHN CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000672304803 1080552374 /nfs/dbraw/zinc/55/23/74/1080552374.db2.gz MDICEJGMRABUDB-HNNXBMFYSA-N 0 3 409.508 0.186 20 0 HCADHN CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000672304804 1080552299 /nfs/dbraw/zinc/55/22/99/1080552299.db2.gz MDICEJGMRABUDB-OAHLLOKOSA-N 0 3 409.508 0.186 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000672304911 1080552261 /nfs/dbraw/zinc/55/22/61/1080552261.db2.gz SJJJZYMCKFVKHA-GOSISDBHSA-N 0 3 402.470 0.711 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000672304912 1080552209 /nfs/dbraw/zinc/55/22/09/1080552209.db2.gz SJJJZYMCKFVKHA-SFHVURJKSA-N 0 3 402.470 0.711 20 0 HCADHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672305237 1080552740 /nfs/dbraw/zinc/55/27/40/1080552740.db2.gz HBSWQEGSMVRXPQ-BBRMVZONSA-N 0 3 408.524 0.454 20 0 HCADHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672305238 1080553099 /nfs/dbraw/zinc/55/30/99/1080553099.db2.gz HBSWQEGSMVRXPQ-CJNGLKHVSA-N 0 3 408.524 0.454 20 0 HCADHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672305239 1080552873 /nfs/dbraw/zinc/55/28/73/1080552873.db2.gz HBSWQEGSMVRXPQ-CZUORRHYSA-N 0 3 408.524 0.454 20 0 HCADHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672305240 1080552712 /nfs/dbraw/zinc/55/27/12/1080552712.db2.gz HBSWQEGSMVRXPQ-XJKSGUPXSA-N 0 3 408.524 0.454 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000672305279 1080553018 /nfs/dbraw/zinc/55/30/18/1080553018.db2.gz JJAJWUSVWZMHNA-AWEZNQCLSA-N 0 3 406.512 0.316 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000672305280 1080553074 /nfs/dbraw/zinc/55/30/74/1080553074.db2.gz JJAJWUSVWZMHNA-CQSZACIVSA-N 0 3 406.512 0.316 20 0 HCADHN O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1)NC1CCCCC1 ZINC000672305796 1080553580 /nfs/dbraw/zinc/55/35/80/1080553580.db2.gz DOEBYXGESLQVIN-IBGZPJMESA-N 0 3 419.570 0.180 20 0 HCADHN O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1)NC1CCCCC1 ZINC000672305797 1080553406 /nfs/dbraw/zinc/55/34/06/1080553406.db2.gz DOEBYXGESLQVIN-LJQANCHMSA-N 0 3 419.570 0.180 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000672305966 1080552813 /nfs/dbraw/zinc/55/28/13/1080552813.db2.gz LQYZDNZGOJGRLM-INIZCTEOSA-N 0 3 420.476 0.700 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000672305967 1080553647 /nfs/dbraw/zinc/55/36/47/1080553647.db2.gz LQYZDNZGOJGRLM-MRXNPFEDSA-N 0 3 420.476 0.700 20 0 HCADHN CCOc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672305983 1080553671 /nfs/dbraw/zinc/55/36/71/1080553671.db2.gz MTUWWWJBSLQCPB-KRWDZBQOSA-N 0 3 401.511 0.729 20 0 HCADHN CCOc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672305984 1080553714 /nfs/dbraw/zinc/55/37/14/1080553714.db2.gz MTUWWWJBSLQCPB-QGZVFWFLSA-N 0 3 401.511 0.729 20 0 HCADHN CCOc1cc(NC2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)ncn1 ZINC000672306047 1080553383 /nfs/dbraw/zinc/55/33/83/1080553383.db2.gz PETMDCLZHKWBQL-KRWDZBQOSA-N 0 3 416.526 0.879 20 0 HCADHN CCOc1cc(NC2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)ncn1 ZINC000672306048 1080553607 /nfs/dbraw/zinc/55/36/07/1080553607.db2.gz PETMDCLZHKWBQL-QGZVFWFLSA-N 0 3 416.526 0.879 20 0 HCADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2)c1 ZINC000672306117 1080553147 /nfs/dbraw/zinc/55/31/47/1080553147.db2.gz SHLDOODGBKVUIK-DLBZAZTESA-N 0 3 416.522 0.999 20 0 HCADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)c1 ZINC000672306118 1080552765 /nfs/dbraw/zinc/55/27/65/1080552765.db2.gz SHLDOODGBKVUIK-IAGOWNOFSA-N 0 3 416.522 0.999 20 0 HCADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2)c1 ZINC000672306119 1080552989 /nfs/dbraw/zinc/55/29/89/1080552989.db2.gz SHLDOODGBKVUIK-IRXDYDNUSA-N 0 3 416.522 0.999 20 0 HCADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)c1 ZINC000672306120 1080552847 /nfs/dbraw/zinc/55/28/47/1080552847.db2.gz SHLDOODGBKVUIK-SJORKVTESA-N 0 3 416.522 0.999 20 0 HCADHN Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672306149 1080552661 /nfs/dbraw/zinc/55/26/61/1080552661.db2.gz UPBNWRWBIWKRGU-FQEVSTJZSA-N 0 3 412.534 0.809 20 0 HCADHN Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672306150 1080552640 /nfs/dbraw/zinc/55/26/40/1080552640.db2.gz UPBNWRWBIWKRGU-HXUWFJFHSA-N 0 3 412.534 0.809 20 0 HCADHN O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672306232 1080553048 /nfs/dbraw/zinc/55/30/48/1080553048.db2.gz XXJQCYOFVMBOCD-LEWJYISDSA-N 0 3 414.550 0.647 20 0 HCADHN O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672306233 1080552905 /nfs/dbraw/zinc/55/29/05/1080552905.db2.gz XXJQCYOFVMBOCD-NHCUHLMSSA-N 0 3 414.550 0.647 20 0 HCADHN O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672306234 1080556133 /nfs/dbraw/zinc/55/61/33/1080556133.db2.gz XXJQCYOFVMBOCD-RTWAWAEBSA-N 0 3 414.550 0.647 20 0 HCADHN O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672306235 1080555929 /nfs/dbraw/zinc/55/59/29/1080555929.db2.gz XXJQCYOFVMBOCD-SFTDATJTSA-N 0 3 414.550 0.647 20 0 HCADHN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672306248 1080556484 /nfs/dbraw/zinc/55/64/84/1080556484.db2.gz YMFJDOFXZZSWRI-HKUYNNGSSA-N 0 3 419.570 0.132 20 0 HCADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672306249 1080556795 /nfs/dbraw/zinc/55/67/95/1080556795.db2.gz YMFJDOFXZZSWRI-IEBWSBKVSA-N 0 3 419.570 0.132 20 0 HCADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672306250 1080556774 /nfs/dbraw/zinc/55/67/74/1080556774.db2.gz YMFJDOFXZZSWRI-MJGOQNOKSA-N 0 3 419.570 0.132 20 0 HCADHN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672306251 1080556533 /nfs/dbraw/zinc/55/65/33/1080556533.db2.gz YMFJDOFXZZSWRI-PKOBYXMFSA-N 0 3 419.570 0.132 20 0 HCADHN O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1)Nc1ccccc1 ZINC000672306319 1080556507 /nfs/dbraw/zinc/55/65/07/1080556507.db2.gz BMGUYZLJFVOWTO-IBGZPJMESA-N 0 3 413.522 0.370 20 0 HCADHN O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1)Nc1ccccc1 ZINC000672306320 1080556757 /nfs/dbraw/zinc/55/67/57/1080556757.db2.gz BMGUYZLJFVOWTO-LJQANCHMSA-N 0 3 413.522 0.370 20 0 HCADHN CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672306486 1080556582 /nfs/dbraw/zinc/55/65/82/1080556582.db2.gz LGQIRUGAOGWFBH-FQEVSTJZSA-N 0 3 413.566 0.868 20 0 HCADHN CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672306487 1080556727 /nfs/dbraw/zinc/55/67/27/1080556727.db2.gz LGQIRUGAOGWFBH-HXUWFJFHSA-N 0 3 413.566 0.868 20 0 HCADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)c(C)o1 ZINC000672306560 1080556914 /nfs/dbraw/zinc/55/69/14/1080556914.db2.gz OFTQHYMLHPJBBO-KRWDZBQOSA-N 0 3 402.495 0.781 20 0 HCADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)c(C)o1 ZINC000672306561 1080556670 /nfs/dbraw/zinc/55/66/70/1080556670.db2.gz OFTQHYMLHPJBBO-QGZVFWFLSA-N 0 3 402.495 0.781 20 0 HCADHN CCOCCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672306926 1080555898 /nfs/dbraw/zinc/55/58/98/1080555898.db2.gz FVWJNSDYIXNPIU-GOSISDBHSA-N 0 3 408.543 0.368 20 0 HCADHN CCOCCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672306927 1080556180 /nfs/dbraw/zinc/55/61/80/1080556180.db2.gz FVWJNSDYIXNPIU-SFHVURJKSA-N 0 3 408.543 0.368 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000672307227 1080556155 /nfs/dbraw/zinc/55/61/55/1080556155.db2.gz QGYCTVCZNSRROB-GOSISDBHSA-N 0 3 408.506 0.812 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000672307228 1080556009 /nfs/dbraw/zinc/55/60/09/1080556009.db2.gz QGYCTVCZNSRROB-SFHVURJKSA-N 0 3 408.506 0.812 20 0 HCADHN CCc1nsc(N2CCCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672307286 1080555363 /nfs/dbraw/zinc/55/53/63/1080555363.db2.gz SSKWXNXDHQHVKE-HNNXBMFYSA-N 0 3 406.556 0.740 20 0 HCADHN CCc1nsc(N2CCCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672307287 1080555537 /nfs/dbraw/zinc/55/55/37/1080555537.db2.gz SSKWXNXDHQHVKE-OAHLLOKOSA-N 0 3 406.556 0.740 20 0 HCADHN COc1cc(OC)c(CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c(OC)c1 ZINC000672307356 1080555511 /nfs/dbraw/zinc/55/55/11/1080555511.db2.gz VGZAEJNCTQJCCH-HNNXBMFYSA-N 0 3 405.495 0.972 20 0 HCADHN COc1cc(OC)c(CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c(OC)c1 ZINC000672307357 1080555292 /nfs/dbraw/zinc/55/52/92/1080555292.db2.gz VGZAEJNCTQJCCH-OAHLLOKOSA-N 0 3 405.495 0.972 20 0 HCADHN O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1)N1CCCCCC1 ZINC000672307396 1080555415 /nfs/dbraw/zinc/55/54/15/1080555415.db2.gz XGTWPXUFIYDEJJ-IBGZPJMESA-N 0 3 419.570 0.134 20 0 HCADHN O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1)N1CCCCCC1 ZINC000672307397 1080555658 /nfs/dbraw/zinc/55/56/58/1080555658.db2.gz XGTWPXUFIYDEJJ-LJQANCHMSA-N 0 3 419.570 0.134 20 0 HCADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672307878 1080556954 /nfs/dbraw/zinc/55/69/54/1080556954.db2.gz QHALQIQZGSXUND-APWZRJJASA-N 0 3 419.570 0.178 20 0 HCADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672307879 1080556647 /nfs/dbraw/zinc/55/66/47/1080556647.db2.gz QHALQIQZGSXUND-LPHOPBHVSA-N 0 3 419.570 0.178 20 0 HCADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672307880 1080557363 /nfs/dbraw/zinc/55/73/63/1080557363.db2.gz QHALQIQZGSXUND-QFBILLFUSA-N 0 3 419.570 0.178 20 0 HCADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672307881 1080557664 /nfs/dbraw/zinc/55/76/64/1080557664.db2.gz QHALQIQZGSXUND-VQIMIIECSA-N 0 3 419.570 0.178 20 0 HCADHN CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672307999 1080556459 /nfs/dbraw/zinc/55/64/59/1080556459.db2.gz VOHZULJXDXFDLX-IBGZPJMESA-N 0 3 422.570 0.757 20 0 HCADHN CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672308000 1080556881 /nfs/dbraw/zinc/55/68/81/1080556881.db2.gz VOHZULJXDXFDLX-LJQANCHMSA-N 0 3 422.570 0.757 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000672308209 1080556852 /nfs/dbraw/zinc/55/68/52/1080556852.db2.gz DVIKROYZSGLYHK-IBGZPJMESA-N 0 3 400.523 0.810 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000672308210 1080556819 /nfs/dbraw/zinc/55/68/19/1080556819.db2.gz DVIKROYZSGLYHK-LJQANCHMSA-N 0 3 400.523 0.810 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000672308223 1080556697 /nfs/dbraw/zinc/55/66/97/1080556697.db2.gz FHXPTWNZBQDYQP-KRWDZBQOSA-N 0 3 400.527 0.921 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000672308224 1080556617 /nfs/dbraw/zinc/55/66/17/1080556617.db2.gz FHXPTWNZBQDYQP-QGZVFWFLSA-N 0 3 400.527 0.921 20 0 HCADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672308669 1080555628 /nfs/dbraw/zinc/55/56/28/1080555628.db2.gz XNASZURFWCLVIA-KRWDZBQOSA-N 0 3 416.526 0.515 20 0 HCADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672308670 1080555604 /nfs/dbraw/zinc/55/56/04/1080555604.db2.gz XNASZURFWCLVIA-QGZVFWFLSA-N 0 3 416.526 0.515 20 0 HCADHN O=C(NCc1cnc(N2CCOCC2)c(F)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672308855 1080555389 /nfs/dbraw/zinc/55/53/89/1080555389.db2.gz ALAXYGLMDAIEFC-INIZCTEOSA-N 0 3 405.474 0.274 20 0 HCADHN O=C(NCc1cnc(N2CCOCC2)c(F)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672308856 1080555265 /nfs/dbraw/zinc/55/52/65/1080555265.db2.gz ALAXYGLMDAIEFC-MRXNPFEDSA-N 0 3 405.474 0.274 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000672308919 1080560274 /nfs/dbraw/zinc/56/02/74/1080560274.db2.gz DOHVAGSCBIIPTQ-PMACEKPBSA-N 0 3 412.534 0.937 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000672308920 1080560513 /nfs/dbraw/zinc/56/05/13/1080560513.db2.gz DOHVAGSCBIIPTQ-UXHICEINSA-N 0 3 412.534 0.937 20 0 HCADHN O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672308921 1080560238 /nfs/dbraw/zinc/56/02/38/1080560238.db2.gz DOHVAGSCBIIPTQ-VQTJNVASSA-N 0 3 412.534 0.937 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000672308922 1080560414 /nfs/dbraw/zinc/56/04/14/1080560414.db2.gz DOHVAGSCBIIPTQ-WOJBJXKFSA-N 0 3 412.534 0.937 20 0 HCADHN O=C(NCc1cc(F)ccc1N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672309224 1080556109 /nfs/dbraw/zinc/55/61/09/1080556109.db2.gz JFJDPQBYZGJGCF-GOSISDBHSA-N 0 3 404.486 0.879 20 0 HCADHN O=C(NCc1cc(F)ccc1N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672309228 1080556274 /nfs/dbraw/zinc/55/62/74/1080556274.db2.gz JFJDPQBYZGJGCF-SFHVURJKSA-N 0 3 404.486 0.879 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000672309560 1080557893 /nfs/dbraw/zinc/55/78/93/1080557893.db2.gz XCYPAALTYZPZGI-HNNXBMFYSA-N 0 3 414.535 0.940 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000672309561 1080558253 /nfs/dbraw/zinc/55/82/53/1080558253.db2.gz XCYPAALTYZPZGI-OAHLLOKOSA-N 0 3 414.535 0.940 20 0 HCADHN CCc1nc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)cs1 ZINC000672309665 1080558114 /nfs/dbraw/zinc/55/81/14/1080558114.db2.gz PSOKBQICXYUNIW-INIZCTEOSA-N 0 3 405.568 0.950 20 0 HCADHN CCc1nc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)cs1 ZINC000672309666 1080558307 /nfs/dbraw/zinc/55/83/07/1080558307.db2.gz PSOKBQICXYUNIW-MRXNPFEDSA-N 0 3 405.568 0.950 20 0 HCADHN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672309750 1080558171 /nfs/dbraw/zinc/55/81/71/1080558171.db2.gz SUCSPMXKZDMECX-PMACEKPBSA-N 0 3 412.534 0.937 20 0 HCADHN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672309751 1080557148 /nfs/dbraw/zinc/55/71/48/1080557148.db2.gz SUCSPMXKZDMECX-UXHICEINSA-N 0 3 412.534 0.937 20 0 HCADHN O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672309752 1080557394 /nfs/dbraw/zinc/55/73/94/1080557394.db2.gz SUCSPMXKZDMECX-VQTJNVASSA-N 0 3 412.534 0.937 20 0 HCADHN O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672309753 1080557690 /nfs/dbraw/zinc/55/76/90/1080557690.db2.gz SUCSPMXKZDMECX-WOJBJXKFSA-N 0 3 412.534 0.937 20 0 HCADHN Cc1occc1C(=O)NC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672309825 1080557509 /nfs/dbraw/zinc/55/75/09/1080557509.db2.gz WTOMEGHRAAJUIY-KRWDZBQOSA-N 0 3 402.495 0.909 20 0 HCADHN Cc1occc1C(=O)NC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672309826 1080557624 /nfs/dbraw/zinc/55/76/24/1080557624.db2.gz WTOMEGHRAAJUIY-QGZVFWFLSA-N 0 3 402.495 0.909 20 0 HCADHN COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000672310000 1080557301 /nfs/dbraw/zinc/55/73/01/1080557301.db2.gz CDKUAGBOYRQZRT-KRWDZBQOSA-N 0 3 405.495 0.625 20 0 HCADHN COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000672310001 1080557486 /nfs/dbraw/zinc/55/74/86/1080557486.db2.gz CDKUAGBOYRQZRT-QGZVFWFLSA-N 0 3 405.495 0.625 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000672310056 1080560668 /nfs/dbraw/zinc/56/06/68/1080560668.db2.gz FHISZRSKZQCWCK-HNNXBMFYSA-N 0 3 410.469 0.523 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000672310057 1080560380 /nfs/dbraw/zinc/56/03/80/1080560380.db2.gz FHISZRSKZQCWCK-OAHLLOKOSA-N 0 3 410.469 0.523 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000672310080 1080557267 /nfs/dbraw/zinc/55/72/67/1080557267.db2.gz GBTGOXNZPUOVKO-KRWDZBQOSA-N 0 3 422.551 0.332 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000672310081 1080557531 /nfs/dbraw/zinc/55/75/31/1080557531.db2.gz GBTGOXNZPUOVKO-QGZVFWFLSA-N 0 3 422.551 0.332 20 0 HCADHN CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672310082 1080557597 /nfs/dbraw/zinc/55/75/97/1080557597.db2.gz GCHFZGMGNLHKQZ-KRWDZBQOSA-N 0 3 400.527 0.849 20 0 HCADHN CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672310083 1080557422 /nfs/dbraw/zinc/55/74/22/1080557422.db2.gz GCHFZGMGNLHKQZ-QGZVFWFLSA-N 0 3 400.527 0.849 20 0 HCADHN CN(c1ccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1)S(C)(=O)=O ZINC000672310310 1080557922 /nfs/dbraw/zinc/55/79/22/1080557922.db2.gz OKWYFLDLSFIUSS-INIZCTEOSA-N 0 3 408.524 0.299 20 0 HCADHN CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1)S(C)(=O)=O ZINC000672310311 1080558232 /nfs/dbraw/zinc/55/82/32/1080558232.db2.gz OKWYFLDLSFIUSS-MRXNPFEDSA-N 0 3 408.524 0.299 20 0 HCADHN COc1ccc(CN(CCO)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c(OC)c1 ZINC000672310353 1080558910 /nfs/dbraw/zinc/55/89/10/1080558910.db2.gz QHQUJWYCQMPPOG-KRWDZBQOSA-N 0 3 405.495 0.625 20 0 HCADHN COc1ccc(CN(CCO)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c(OC)c1 ZINC000672310354 1080558951 /nfs/dbraw/zinc/55/89/51/1080558951.db2.gz QHQUJWYCQMPPOG-QGZVFWFLSA-N 0 3 405.495 0.625 20 0 HCADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310405 1080558710 /nfs/dbraw/zinc/55/87/10/1080558710.db2.gz SISYYJLTTVKUEX-KRWDZBQOSA-N 0 3 420.535 0.443 20 0 HCADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310406 1080558887 /nfs/dbraw/zinc/55/88/87/1080558887.db2.gz SISYYJLTTVKUEX-QGZVFWFLSA-N 0 3 420.535 0.443 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000672310407 1080559810 /nfs/dbraw/zinc/55/98/10/1080559810.db2.gz SLAVUEJCAKWZJS-HNNXBMFYSA-N 0 3 420.460 0.850 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000672310408 1080559519 /nfs/dbraw/zinc/55/95/19/1080559519.db2.gz SLAVUEJCAKWZJS-OAHLLOKOSA-N 0 3 420.460 0.850 20 0 HCADHN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310540 1080558633 /nfs/dbraw/zinc/55/86/33/1080558633.db2.gz YGKSNRNTTAQVKO-AZUAARDMSA-N 0 3 413.566 0.914 20 0 HCADHN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310541 1080558994 /nfs/dbraw/zinc/55/89/94/1080558994.db2.gz YGKSNRNTTAQVKO-ICSRJNTNSA-N 0 3 413.566 0.914 20 0 HCADHN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310542 1080559149 /nfs/dbraw/zinc/55/91/49/1080559149.db2.gz YGKSNRNTTAQVKO-QUCCMNQESA-N 0 3 413.566 0.914 20 0 HCADHN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310543 1080558767 /nfs/dbraw/zinc/55/87/67/1080558767.db2.gz YGKSNRNTTAQVKO-UYAOXDASSA-N 0 3 413.566 0.914 20 0 HCADHN COc1ccccc1CN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672310894 1080558801 /nfs/dbraw/zinc/55/88/01/1080558801.db2.gz MANCPNHZDQIIKJ-IBGZPJMESA-N 0 3 400.523 0.940 20 0 HCADHN COc1ccccc1CN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672310895 1080559099 /nfs/dbraw/zinc/55/90/99/1080559099.db2.gz MANCPNHZDQIIKJ-LJQANCHMSA-N 0 3 400.523 0.940 20 0 HCADHN COc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000672311116 1080558381 /nfs/dbraw/zinc/55/83/81/1080558381.db2.gz WUMHZQIMGQVXFV-HKUYNNGSSA-N 0 3 414.506 0.513 20 0 HCADHN COc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000672311117 1080558005 /nfs/dbraw/zinc/55/80/05/1080558005.db2.gz WUMHZQIMGQVXFV-IEBWSBKVSA-N 0 3 414.506 0.513 20 0 HCADHN COc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000672311118 1080558208 /nfs/dbraw/zinc/55/82/08/1080558208.db2.gz WUMHZQIMGQVXFV-MJGOQNOKSA-N 0 3 414.506 0.513 20 0 HCADHN COc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000672311119 1080557975 /nfs/dbraw/zinc/55/79/75/1080557975.db2.gz WUMHZQIMGQVXFV-PKOBYXMFSA-N 0 3 414.506 0.513 20 0 HCADHN O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672311122 1080558073 /nfs/dbraw/zinc/55/80/73/1080558073.db2.gz WUWLJUICLPKOPV-GOSISDBHSA-N 0 3 416.497 0.640 20 0 HCADHN O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672311123 1080558279 /nfs/dbraw/zinc/55/82/79/1080558279.db2.gz WUWLJUICLPKOPV-SFHVURJKSA-N 0 3 416.497 0.640 20 0 HCADHN O=C(NCc1ccnc(OC2CCOCC2)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672311156 1080557950 /nfs/dbraw/zinc/55/79/50/1080557950.db2.gz YGOQDFMVXPYDQP-KRWDZBQOSA-N 0 3 402.495 0.856 20 0 HCADHN O=C(NCc1ccnc(OC2CCOCC2)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672311157 1080558145 /nfs/dbraw/zinc/55/81/45/1080558145.db2.gz YGOQDFMVXPYDQP-QGZVFWFLSA-N 0 3 402.495 0.856 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000672311529 1080562659 /nfs/dbraw/zinc/56/26/59/1080562659.db2.gz GNNLWBSAEZTCOO-HNNXBMFYSA-N 0 3 414.535 0.940 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000672311530 1080562684 /nfs/dbraw/zinc/56/26/84/1080562684.db2.gz GNNLWBSAEZTCOO-OAHLLOKOSA-N 0 3 414.535 0.940 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)s1 ZINC000672311531 1080562587 /nfs/dbraw/zinc/56/25/87/1080562587.db2.gz GNWMMSYJWSANTD-AWEZNQCLSA-N 0 3 414.553 0.052 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)s1 ZINC000672311532 1080562481 /nfs/dbraw/zinc/56/24/81/1080562481.db2.gz GNWMMSYJWSANTD-CQSZACIVSA-N 0 3 414.553 0.052 20 0 HCADHN COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672311733 1080561916 /nfs/dbraw/zinc/56/19/16/1080561916.db2.gz QPRWWTZHVYAMJL-KRWDZBQOSA-N 0 3 403.479 0.991 20 0 HCADHN COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672311734 1080561956 /nfs/dbraw/zinc/56/19/56/1080561956.db2.gz QPRWWTZHVYAMJL-QGZVFWFLSA-N 0 3 403.479 0.991 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000672312037 1080560002 /nfs/dbraw/zinc/56/00/02/1080560002.db2.gz RZWZDNCKJDXPDB-MSOLQXFVSA-N 0 3 402.470 0.643 20 0 HCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000672312038 1080559745 /nfs/dbraw/zinc/55/97/45/1080559745.db2.gz RZWZDNCKJDXPDB-QZTJIDSGSA-N 0 3 402.470 0.643 20 0 HCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000672312039 1080560031 /nfs/dbraw/zinc/56/00/31/1080560031.db2.gz RZWZDNCKJDXPDB-ROUUACIJSA-N 0 3 402.470 0.643 20 0 HCADHN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672312040 1080559972 /nfs/dbraw/zinc/55/99/72/1080559972.db2.gz RZWZDNCKJDXPDB-ZWKOTPCHSA-N 0 3 402.470 0.643 20 0 HCADHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000672312151 1080559664 /nfs/dbraw/zinc/55/96/64/1080559664.db2.gz XDFWMMAPASTIHH-DZFGPLHGSA-N 0 3 414.550 0.993 20 0 HCADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000672312152 1080559395 /nfs/dbraw/zinc/55/93/95/1080559395.db2.gz XDFWMMAPASTIHH-IOMROCGXSA-N 0 3 414.550 0.993 20 0 HCADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000672312153 1080559876 /nfs/dbraw/zinc/55/98/76/1080559876.db2.gz XDFWMMAPASTIHH-WMQCIHAUSA-N 0 3 414.550 0.993 20 0 HCADHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000672312154 1080559951 /nfs/dbraw/zinc/55/99/51/1080559951.db2.gz XDFWMMAPASTIHH-YYWHXJBOSA-N 0 3 414.550 0.993 20 0 HCADHN CCc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)ncn1 ZINC000672312358 1080562739 /nfs/dbraw/zinc/56/27/39/1080562739.db2.gz HXEKDDRTVZJCBY-GOSISDBHSA-N 0 3 400.527 0.725 20 0 HCADHN CCc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)ncn1 ZINC000672312359 1080562561 /nfs/dbraw/zinc/56/25/61/1080562561.db2.gz HXEKDDRTVZJCBY-SFHVURJKSA-N 0 3 400.527 0.725 20 0 HCADHN O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672312371 1080562364 /nfs/dbraw/zinc/56/23/64/1080562364.db2.gz IRBJXHBXZZKPNA-KRWDZBQOSA-N 0 3 420.535 0.443 20 0 HCADHN O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672312372 1080562519 /nfs/dbraw/zinc/56/25/19/1080562519.db2.gz IRBJXHBXZZKPNA-QGZVFWFLSA-N 0 3 420.535 0.443 20 0 HCADHN C[C@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@H](C)N1CCOCC1 ZINC000672319627 1080565374 /nfs/dbraw/zinc/56/53/74/1080565374.db2.gz WUJKMZKRUPBCKD-BJLQDIEVSA-N 0 3 402.539 0.945 20 0 HCADHN C[C@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@H](C)N1CCOCC1 ZINC000672319628 1080565444 /nfs/dbraw/zinc/56/54/44/1080565444.db2.gz WUJKMZKRUPBCKD-CMKODMSKSA-N 0 3 402.539 0.945 20 0 HCADHN C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)N1CCOCC1 ZINC000672319629 1080565337 /nfs/dbraw/zinc/56/53/37/1080565337.db2.gz WUJKMZKRUPBCKD-NLWGTHIKSA-N 0 3 402.539 0.945 20 0 HCADHN C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)N1CCOCC1 ZINC000672319630 1080565316 /nfs/dbraw/zinc/56/53/16/1080565316.db2.gz WUJKMZKRUPBCKD-NSHGMRRFSA-N 0 3 402.539 0.945 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1(C)C ZINC000672339206 1080568760 /nfs/dbraw/zinc/56/87/60/1080568760.db2.gz BPVIJHRNRXFQRI-INIZCTEOSA-N 0 3 423.508 0.802 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1(C)C ZINC000672339207 1080568824 /nfs/dbraw/zinc/56/88/24/1080568824.db2.gz BPVIJHRNRXFQRI-MRXNPFEDSA-N 0 3 423.508 0.802 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672339587 1080569624 /nfs/dbraw/zinc/56/96/24/1080569624.db2.gz NNUYLBVETHDGRO-KRWDZBQOSA-N 0 3 423.508 0.756 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672339588 1080569696 /nfs/dbraw/zinc/56/96/96/1080569696.db2.gz NNUYLBVETHDGRO-QGZVFWFLSA-N 0 3 423.508 0.756 20 0 HCADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000672357898 1080574569 /nfs/dbraw/zinc/57/45/69/1080574569.db2.gz GEYNIHASYIKFJC-FQEVSTJZSA-N 0 3 402.539 0.866 20 0 HCADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000672357899 1080574269 /nfs/dbraw/zinc/57/42/69/1080574269.db2.gz GEYNIHASYIKFJC-HXUWFJFHSA-N 0 3 402.539 0.866 20 0 HCADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357944 1080574735 /nfs/dbraw/zinc/57/47/35/1080574735.db2.gz RSHNXEMCNPSIHC-AZUAARDMSA-N 0 3 402.539 0.946 20 0 HCADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357945 1080574193 /nfs/dbraw/zinc/57/41/93/1080574193.db2.gz RSHNXEMCNPSIHC-ICSRJNTNSA-N 0 3 402.539 0.946 20 0 HCADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357946 1080574420 /nfs/dbraw/zinc/57/44/20/1080574420.db2.gz RSHNXEMCNPSIHC-QUCCMNQESA-N 0 3 402.539 0.946 20 0 HCADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357947 1080574860 /nfs/dbraw/zinc/57/48/60/1080574860.db2.gz RSHNXEMCNPSIHC-UYAOXDASSA-N 0 3 402.539 0.946 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000672362542 1080576341 /nfs/dbraw/zinc/57/63/41/1080576341.db2.gz MXQRBVONMJSQNZ-HNNXBMFYSA-N 0 3 411.524 0.576 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000672362545 1080576365 /nfs/dbraw/zinc/57/63/65/1080576365.db2.gz MXQRBVONMJSQNZ-OAHLLOKOSA-N 0 3 411.524 0.576 20 0 HCADHN CN(C(=O)C(=O)NCCOC[C@@H]1CCOC1)C1CCN(CCc2ccccn2)CC1 ZINC000672367388 1080582275 /nfs/dbraw/zinc/58/22/75/1080582275.db2.gz WAFUKMJJPFYUMV-GOSISDBHSA-N 0 3 418.538 0.716 20 0 HCADHN CN(C(=O)C(=O)NCCOC[C@H]1CCOC1)C1CCN(CCc2ccccn2)CC1 ZINC000672367391 1080582295 /nfs/dbraw/zinc/58/22/95/1080582295.db2.gz WAFUKMJJPFYUMV-SFHVURJKSA-N 0 3 418.538 0.716 20 0 HCADHN O=C(NCCOC[C@H]1CCOC1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000672369209 1080582979 /nfs/dbraw/zinc/58/29/79/1080582979.db2.gz XLFAESVPPPDSFI-KRWDZBQOSA-N 0 3 419.522 0.429 20 0 HCADHN O=C(NCCOC[C@@H]1CCOC1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000672369210 1080582955 /nfs/dbraw/zinc/58/29/55/1080582955.db2.gz XLFAESVPPPDSFI-QGZVFWFLSA-N 0 3 419.522 0.429 20 0 HCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000672369607 1080584110 /nfs/dbraw/zinc/58/41/10/1080584110.db2.gz QTYFVSXQZVRGAQ-DLBZAZTESA-N 0 3 404.511 0.893 20 0 HCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000672369608 1080584066 /nfs/dbraw/zinc/58/40/66/1080584066.db2.gz QTYFVSXQZVRGAQ-IAGOWNOFSA-N 0 3 404.511 0.893 20 0 HCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000672369609 1080584182 /nfs/dbraw/zinc/58/41/82/1080584182.db2.gz QTYFVSXQZVRGAQ-IRXDYDNUSA-N 0 3 404.511 0.893 20 0 HCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000672369610 1080584216 /nfs/dbraw/zinc/58/42/16/1080584216.db2.gz QTYFVSXQZVRGAQ-SJORKVTESA-N 0 3 404.511 0.893 20 0 HCADHN O=C(NCCOC[C@H]1CCOC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000672370437 1080584957 /nfs/dbraw/zinc/58/49/57/1080584957.db2.gz RAAJTYXDENEARY-PMACEKPBSA-N 0 3 419.522 0.563 20 0 HCADHN O=C(NCCOC[C@@H]1CCOC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000672370456 1080585021 /nfs/dbraw/zinc/58/50/21/1080585021.db2.gz RAAJTYXDENEARY-UXHICEINSA-N 0 3 419.522 0.563 20 0 HCADHN O=C(NCCOC[C@H]1CCOC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000672370457 1080585405 /nfs/dbraw/zinc/58/54/05/1080585405.db2.gz RAAJTYXDENEARY-VQTJNVASSA-N 0 3 419.522 0.563 20 0 HCADHN O=C(NCCOC[C@@H]1CCOC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000672370458 1080585521 /nfs/dbraw/zinc/58/55/21/1080585521.db2.gz RAAJTYXDENEARY-WOJBJXKFSA-N 0 3 419.522 0.563 20 0 HCADHN CN(C)C[C@H]1CN(S(=O)(=O)CC2CCS(=O)(=O)CC2)c2ccccc2O1 ZINC000672390515 1080589161 /nfs/dbraw/zinc/58/91/61/1080589161.db2.gz KQHLVOORXSAYJD-HNNXBMFYSA-N 0 3 402.538 0.970 20 0 HCADHN CN(C)C[C@@H]1CN(S(=O)(=O)CC2CCS(=O)(=O)CC2)c2ccccc2O1 ZINC000672390516 1080589105 /nfs/dbraw/zinc/58/91/05/1080589105.db2.gz KQHLVOORXSAYJD-OAHLLOKOSA-N 0 3 402.538 0.970 20 0 HCADHN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000672393043 1080589781 /nfs/dbraw/zinc/58/97/81/1080589781.db2.gz QUPBATINBRTLRY-GXTWGEPZSA-N 0 3 401.558 0.748 20 0 HCADHN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000672393044 1080589743 /nfs/dbraw/zinc/58/97/43/1080589743.db2.gz QUPBATINBRTLRY-JSGCOSHPSA-N 0 3 401.558 0.748 20 0 HCADHN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)s1 ZINC000672393045 1080589916 /nfs/dbraw/zinc/58/99/16/1080589916.db2.gz QUPBATINBRTLRY-OCCSQVGLSA-N 0 3 401.558 0.748 20 0 HCADHN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)s1 ZINC000672393046 1080590314 /nfs/dbraw/zinc/59/03/14/1080590314.db2.gz QUPBATINBRTLRY-TZMCWYRMSA-N 0 3 401.558 0.748 20 0 HCADHN CN(CCCN(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)Cc1ccco1 ZINC000672399415 1080592218 /nfs/dbraw/zinc/59/22/18/1080592218.db2.gz QQEXJOHKDVAQTR-UHFFFAOYSA-N 0 3 415.560 0.320 20 0 HCADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)C2)nc(C)n1 ZINC000672409108 1080594029 /nfs/dbraw/zinc/59/40/29/1080594029.db2.gz OYBWGNAWWINTFJ-BZSNNMDCSA-N 0 3 400.527 0.731 20 0 HCADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CCN(C)C[C@H]43)C2)nc(C)n1 ZINC000672409109 1080594595 /nfs/dbraw/zinc/59/45/95/1080594595.db2.gz OYBWGNAWWINTFJ-FGTMMUONSA-N 0 3 400.527 0.731 20 0 HCADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CCN(C)C[C@H]43)C2)nc(C)n1 ZINC000672409110 1080594547 /nfs/dbraw/zinc/59/45/47/1080594547.db2.gz OYBWGNAWWINTFJ-OKZBNKHCSA-N 0 3 400.527 0.731 20 0 HCADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)C2)nc(C)n1 ZINC000672409111 1080594363 /nfs/dbraw/zinc/59/43/63/1080594363.db2.gz OYBWGNAWWINTFJ-SQNIBIBYSA-N 0 3 400.527 0.731 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000672442223 1080604001 /nfs/dbraw/zinc/60/40/01/1080604001.db2.gz JZJHWBMPOQACKI-GOSISDBHSA-N 0 3 410.559 0.315 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000672442224 1080604049 /nfs/dbraw/zinc/60/40/49/1080604049.db2.gz JZJHWBMPOQACKI-SFHVURJKSA-N 0 3 410.559 0.315 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3nccnc3C)CC2)CC1 ZINC000672442317 1080604164 /nfs/dbraw/zinc/60/41/64/1080604164.db2.gz NLYSGTGYIIUPKM-UHFFFAOYSA-N 0 3 418.542 0.439 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000672442390 1080604843 /nfs/dbraw/zinc/60/48/43/1080604843.db2.gz NWUWXYBIMGXVLL-INIZCTEOSA-N 0 3 403.527 0.782 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000672442391 1080605018 /nfs/dbraw/zinc/60/50/18/1080605018.db2.gz NWUWXYBIMGXVLL-MRXNPFEDSA-N 0 3 403.527 0.782 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000672442509 1080605003 /nfs/dbraw/zinc/60/50/03/1080605003.db2.gz PRQAKOJFABMZOJ-UHFFFAOYSA-N 0 3 420.510 0.570 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000672442600 1080604996 /nfs/dbraw/zinc/60/49/96/1080604996.db2.gz DRGMJXQPJITIPL-KRWDZBQOSA-N 0 3 422.570 0.899 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000672442601 1080605585 /nfs/dbraw/zinc/60/55/85/1080605585.db2.gz DRGMJXQPJITIPL-QGZVFWFLSA-N 0 3 422.570 0.899 20 0 HCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000672442653 1080604929 /nfs/dbraw/zinc/60/49/29/1080604929.db2.gz VASMGFFHMWNJLB-UHFFFAOYSA-N 0 3 416.522 0.867 20 0 HCADHN C[C@@H](CNC(=O)NCCCN1C(=O)c2ccccc2C1=O)CN1CCN(C)CC1 ZINC000672454046 1080619535 /nfs/dbraw/zinc/61/95/35/1080619535.db2.gz WUQUETYETVNXSR-INIZCTEOSA-N 0 3 401.511 0.855 20 0 HCADHN C[C@H](CNC(=O)NCCCN1C(=O)c2ccccc2C1=O)CN1CCN(C)CC1 ZINC000672454047 1080619246 /nfs/dbraw/zinc/61/92/46/1080619246.db2.gz WUQUETYETVNXSR-MRXNPFEDSA-N 0 3 401.511 0.855 20 0 HCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455100 1080621448 /nfs/dbraw/zinc/62/14/48/1080621448.db2.gz FYFQCDJHMYAYKE-BBWFWOEESA-N 0 3 413.522 0.566 20 0 HCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455101 1080621473 /nfs/dbraw/zinc/62/14/73/1080621473.db2.gz FYFQCDJHMYAYKE-ZACQAIPSSA-N 0 3 413.522 0.566 20 0 HCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455340 1080619404 /nfs/dbraw/zinc/61/94/04/1080619404.db2.gz BFEVPBQGOLUAEN-DLBZAZTESA-N 0 3 415.538 0.861 20 0 HCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455345 1080619482 /nfs/dbraw/zinc/61/94/82/1080619482.db2.gz BFEVPBQGOLUAEN-IAGOWNOFSA-N 0 3 415.538 0.861 20 0 HCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455346 1080619631 /nfs/dbraw/zinc/61/96/31/1080619631.db2.gz BFEVPBQGOLUAEN-IRXDYDNUSA-N 0 3 415.538 0.861 20 0 HCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455350 1080620031 /nfs/dbraw/zinc/62/00/31/1080620031.db2.gz BFEVPBQGOLUAEN-SJORKVTESA-N 0 3 415.538 0.861 20 0 HCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456032 1080623479 /nfs/dbraw/zinc/62/34/79/1080623479.db2.gz UWBHJMABHMQAHZ-BBWFWOEESA-N 0 3 415.538 0.860 20 0 HCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456044 1080622143 /nfs/dbraw/zinc/62/21/43/1080622143.db2.gz UWBHJMABHMQAHZ-BRWVUGGUSA-N 0 3 415.538 0.860 20 0 HCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456045 1080621965 /nfs/dbraw/zinc/62/19/65/1080621965.db2.gz UWBHJMABHMQAHZ-IXDOHACOSA-N 0 3 415.538 0.860 20 0 HCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456048 1080621981 /nfs/dbraw/zinc/62/19/81/1080621981.db2.gz UWBHJMABHMQAHZ-ZACQAIPSSA-N 0 3 415.538 0.860 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456684 1080626679 /nfs/dbraw/zinc/62/66/79/1080626679.db2.gz BSCSAQJFIXEHFL-INIZCTEOSA-N 0 3 403.527 0.527 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672456685 1080626552 /nfs/dbraw/zinc/62/65/52/1080626552.db2.gz BSCSAQJFIXEHFL-MRXNPFEDSA-N 0 3 403.527 0.527 20 0 HCADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000672457934 1080628647 /nfs/dbraw/zinc/62/86/47/1080628647.db2.gz WYMLOXMMIVOKLX-DLBZAZTESA-N 0 3 413.522 0.567 20 0 HCADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000672457935 1080628745 /nfs/dbraw/zinc/62/87/45/1080628745.db2.gz WYMLOXMMIVOKLX-IAGOWNOFSA-N 0 3 413.522 0.567 20 0 HCADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000672457936 1080628670 /nfs/dbraw/zinc/62/86/70/1080628670.db2.gz WYMLOXMMIVOKLX-IRXDYDNUSA-N 0 3 413.522 0.567 20 0 HCADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000672457937 1080628591 /nfs/dbraw/zinc/62/85/91/1080628591.db2.gz WYMLOXMMIVOKLX-SJORKVTESA-N 0 3 413.522 0.567 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458213 1080630148 /nfs/dbraw/zinc/63/01/48/1080630148.db2.gz MOTIQXHUCSZTBJ-CVEARBPZSA-N 0 3 401.511 0.471 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458214 1080630163 /nfs/dbraw/zinc/63/01/63/1080630163.db2.gz MOTIQXHUCSZTBJ-HOTGVXAUSA-N 0 3 401.511 0.471 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458215 1080630048 /nfs/dbraw/zinc/63/00/48/1080630048.db2.gz MOTIQXHUCSZTBJ-HZPDHXFCSA-N 0 3 401.511 0.471 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458216 1080630117 /nfs/dbraw/zinc/63/01/17/1080630117.db2.gz MOTIQXHUCSZTBJ-JKSUJKDBSA-N 0 3 401.511 0.471 20 0 HCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672458875 1080611441 /nfs/dbraw/zinc/61/14/41/1080611441.db2.gz JQDKARLKKITWHR-INIZCTEOSA-N 0 3 401.511 0.423 20 0 HCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672458876 1080611520 /nfs/dbraw/zinc/61/15/20/1080611520.db2.gz JQDKARLKKITWHR-MRXNPFEDSA-N 0 3 401.511 0.423 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000672459021 1080610783 /nfs/dbraw/zinc/61/07/83/1080610783.db2.gz OVLQMUJIUPACQU-BRWVUGGUSA-N 0 3 415.538 0.717 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000672459022 1080610830 /nfs/dbraw/zinc/61/08/30/1080610830.db2.gz OVLQMUJIUPACQU-IKGGRYGDSA-N 0 3 415.538 0.717 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000672459023 1080610729 /nfs/dbraw/zinc/61/07/29/1080610729.db2.gz OVLQMUJIUPACQU-IXDOHACOSA-N 0 3 415.538 0.717 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000672459024 1080610710 /nfs/dbraw/zinc/61/07/10/1080610710.db2.gz OVLQMUJIUPACQU-ZACQAIPSSA-N 0 3 415.538 0.717 20 0 HCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459142 1080609061 /nfs/dbraw/zinc/60/90/61/1080609061.db2.gz BMDDFURMFMXFKP-CRAIPNDOSA-N 0 3 415.538 0.717 20 0 HCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459143 1080609243 /nfs/dbraw/zinc/60/92/43/1080609243.db2.gz BMDDFURMFMXFKP-MAUKXSAKSA-N 0 3 415.538 0.717 20 0 HCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459144 1080609197 /nfs/dbraw/zinc/60/91/97/1080609197.db2.gz BMDDFURMFMXFKP-QAPCUYQASA-N 0 3 415.538 0.717 20 0 HCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459145 1080609109 /nfs/dbraw/zinc/60/91/09/1080609109.db2.gz BMDDFURMFMXFKP-YJBOKZPZSA-N 0 3 415.538 0.717 20 0 HCADHN CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672460044 1080613626 /nfs/dbraw/zinc/61/36/26/1080613626.db2.gz PAVHTYHHVYCUKO-INIZCTEOSA-N 0 3 415.538 0.813 20 0 HCADHN CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672460045 1080613773 /nfs/dbraw/zinc/61/37/73/1080613773.db2.gz PAVHTYHHVYCUKO-MRXNPFEDSA-N 0 3 415.538 0.813 20 0 HCADHN COCCN1CCN(C(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000672463954 1080634254 /nfs/dbraw/zinc/63/42/54/1080634254.db2.gz PFHDWOMYJIQCKI-JOCHJYFZSA-N 0 3 402.539 0.948 20 0 HCADHN COCCN1CCN(C(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000672463955 1080634503 /nfs/dbraw/zinc/63/45/03/1080634503.db2.gz PFHDWOMYJIQCKI-QFIPXVFZSA-N 0 3 402.539 0.948 20 0 HCADHN C[C@@]1(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CCCN1Cc1ccccc1 ZINC000672464236 1080634529 /nfs/dbraw/zinc/63/45/29/1080634529.db2.gz CHHSSCWJPUGELW-FQEVSTJZSA-N 0 3 422.551 0.165 20 0 HCADHN C[C@]1(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CCCN1Cc1ccccc1 ZINC000672464237 1080634345 /nfs/dbraw/zinc/63/43/45/1080634345.db2.gz CHHSSCWJPUGELW-HXUWFJFHSA-N 0 3 422.551 0.165 20 0 HCADHN C[C@H](NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000672464642 1080634386 /nfs/dbraw/zinc/63/43/86/1080634386.db2.gz MTFHGAZXKHABGH-JLMWRMLUSA-N 0 3 402.539 0.993 20 0 HCADHN C[C@H](NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000672464643 1080635409 /nfs/dbraw/zinc/63/54/09/1080635409.db2.gz MTFHGAZXKHABGH-KPLVRAHFSA-N 0 3 402.539 0.993 20 0 HCADHN C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000672464644 1080635429 /nfs/dbraw/zinc/63/54/29/1080635429.db2.gz MTFHGAZXKHABGH-LQBOVUBWSA-N 0 3 402.539 0.993 20 0 HCADHN C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000672464645 1080635312 /nfs/dbraw/zinc/63/53/12/1080635312.db2.gz MTFHGAZXKHABGH-LRXVAGHRSA-N 0 3 402.539 0.993 20 0 HCADHN C[C@H](C(=O)N(CCN(C)C(=O)[C@H](C)n1cncn1)CCN1CCCC1)n1cncn1 ZINC000672467139 1080630849 /nfs/dbraw/zinc/63/08/49/1080630849.db2.gz VDUMHSUKWZMKOO-DLBZAZTESA-N 0 3 417.518 0.075 20 0 HCADHN C[C@H](C(=O)N(C)CCN(CCN1CCCC1)C(=O)[C@@H](C)n1cncn1)n1cncn1 ZINC000672467140 1080630870 /nfs/dbraw/zinc/63/08/70/1080630870.db2.gz VDUMHSUKWZMKOO-IAGOWNOFSA-N 0 3 417.518 0.075 20 0 HCADHN C[C@@H](C(=O)N(C)CCN(CCN1CCCC1)C(=O)[C@H](C)n1cncn1)n1cncn1 ZINC000672467141 1080630756 /nfs/dbraw/zinc/63/07/56/1080630756.db2.gz VDUMHSUKWZMKOO-IRXDYDNUSA-N 0 3 417.518 0.075 20 0 HCADHN C[C@H](C(=O)N(C)CCN(CCN1CCCC1)C(=O)[C@H](C)n1cncn1)n1cncn1 ZINC000672467142 1080630686 /nfs/dbraw/zinc/63/06/86/1080630686.db2.gz VDUMHSUKWZMKOO-SJORKVTESA-N 0 3 417.518 0.075 20 0 HCADHN Cc1cnn(CC(=O)N(C)CCN(CCN2CCCC2)C(=O)Cn2cc(C)cn2)c1 ZINC000672467272 1080630799 /nfs/dbraw/zinc/63/07/99/1080630799.db2.gz YOBJLKODNHWBOJ-UHFFFAOYSA-N 0 3 415.542 0.779 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000672467875 1080631522 /nfs/dbraw/zinc/63/15/22/1080631522.db2.gz ONJHIOLHHHBRFO-HNNXBMFYSA-N 0 3 410.902 0.598 20 0 HCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000672467886 1080631491 /nfs/dbraw/zinc/63/14/91/1080631491.db2.gz ONJHIOLHHHBRFO-OAHLLOKOSA-N 0 3 410.902 0.598 20 0 HCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000672501338 1080650017 /nfs/dbraw/zinc/65/00/17/1080650017.db2.gz ZWJYYYCQQULWGX-HZPDHXFCSA-N 0 3 401.577 0.268 20 0 HCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000672501339 1080650168 /nfs/dbraw/zinc/65/01/68/1080650168.db2.gz ZWJYYYCQQULWGX-JKSUJKDBSA-N 0 3 401.577 0.268 20 0 HCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672509319 1080644080 /nfs/dbraw/zinc/64/40/80/1080644080.db2.gz XEWBJITUVZZWAG-MSOLQXFVSA-N 0 3 422.551 0.784 20 0 HCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672509780 1080645463 /nfs/dbraw/zinc/64/54/63/1080645463.db2.gz PZKWJKDQDIOBOC-UHFFFAOYSA-N 0 3 412.556 0.745 20 0 HCADHN CN(c1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1)S(C)(=O)=O ZINC000672510262 1080644548 /nfs/dbraw/zinc/64/45/48/1080644548.db2.gz VZJRHNFZUBIZIA-KRWDZBQOSA-N 0 3 408.524 0.395 20 0 HCADHN CN(c1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1)S(C)(=O)=O ZINC000672510263 1080644621 /nfs/dbraw/zinc/64/46/21/1080644621.db2.gz VZJRHNFZUBIZIA-QGZVFWFLSA-N 0 3 408.524 0.395 20 0 HCADHN CN(c1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1)S(C)(=O)=O ZINC000672510340 1080644517 /nfs/dbraw/zinc/64/45/17/1080644517.db2.gz DIEOIUZVYKLAFR-GOSISDBHSA-N 0 3 422.551 0.785 20 0 HCADHN CN(c1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1)S(C)(=O)=O ZINC000672510341 1080644590 /nfs/dbraw/zinc/64/45/90/1080644590.db2.gz DIEOIUZVYKLAFR-SFHVURJKSA-N 0 3 422.551 0.785 20 0 HCADHN CC(C)N1CCCN(C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000672511017 1080648199 /nfs/dbraw/zinc/64/81/99/1080648199.db2.gz IKBMEVZYEBXQST-UHFFFAOYSA-N 0 3 410.540 0.641 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511076 1080648764 /nfs/dbraw/zinc/64/87/64/1080648764.db2.gz QDWCPNOWTHSLTI-INIZCTEOSA-N 0 3 410.540 0.689 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511077 1080648949 /nfs/dbraw/zinc/64/89/49/1080648949.db2.gz QDWCPNOWTHSLTI-MRXNPFEDSA-N 0 3 410.540 0.689 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)N1CCC[C@@H](C)C1 ZINC000672511150 1080647604 /nfs/dbraw/zinc/64/76/04/1080647604.db2.gz LZLGRNYTVXEHJW-CVEARBPZSA-N 0 3 424.567 0.935 20 0 HCADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)N1CCC[C@H](C)C1 ZINC000672511153 1080648094 /nfs/dbraw/zinc/64/80/94/1080648094.db2.gz LZLGRNYTVXEHJW-HOTGVXAUSA-N 0 3 424.567 0.935 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)N1CCC[C@@H](C)C1 ZINC000672511154 1080648038 /nfs/dbraw/zinc/64/80/38/1080648038.db2.gz LZLGRNYTVXEHJW-HZPDHXFCSA-N 0 3 424.567 0.935 20 0 HCADHN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)N1CCC[C@H](C)C1 ZINC000672511155 1080648216 /nfs/dbraw/zinc/64/82/16/1080648216.db2.gz LZLGRNYTVXEHJW-JKSUJKDBSA-N 0 3 424.567 0.935 20 0 HCADHN CN(c1ccc(CNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1)S(C)(=O)=O ZINC000672511617 1080654551 /nfs/dbraw/zinc/65/45/51/1080654551.db2.gz XMYXXUBVMYRKCH-KRWDZBQOSA-N 0 3 424.567 0.935 20 0 HCADHN CN(c1ccc(CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1)S(C)(=O)=O ZINC000672511618 1080654671 /nfs/dbraw/zinc/65/46/71/1080654671.db2.gz XMYXXUBVMYRKCH-QGZVFWFLSA-N 0 3 424.567 0.935 20 0 HCADHN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000672511700 1080654121 /nfs/dbraw/zinc/65/41/21/1080654121.db2.gz DTDSHEYKXMGTEN-AWEZNQCLSA-N 0 3 408.524 0.465 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000672511704 1080654038 /nfs/dbraw/zinc/65/40/38/1080654038.db2.gz DTDSHEYKXMGTEN-CQSZACIVSA-N 0 3 408.524 0.465 20 0 HCADHN CN(C[C@@H]1CCCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1)S(C)(=O)=O ZINC000672517892 1080661854 /nfs/dbraw/zinc/66/18/54/1080661854.db2.gz BVYNMVBDQFNXEM-INIZCTEOSA-N 0 3 403.593 0.325 20 0 HCADHN CN(C[C@H]1CCCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1)S(C)(=O)=O ZINC000672517893 1080661948 /nfs/dbraw/zinc/66/19/48/1080661948.db2.gz BVYNMVBDQFNXEM-MRXNPFEDSA-N 0 3 403.593 0.325 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1(C)C ZINC000672529221 1080666573 /nfs/dbraw/zinc/66/65/73/1080666573.db2.gz FBOASENWNBXVKS-KRWDZBQOSA-N 0 3 401.511 0.050 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1(C)C ZINC000672529222 1080666642 /nfs/dbraw/zinc/66/66/42/1080666642.db2.gz FBOASENWNBXVKS-QGZVFWFLSA-N 0 3 401.511 0.050 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000672547651 1080681675 /nfs/dbraw/zinc/68/16/75/1080681675.db2.gz NJFKGQQQPIPTCO-UHFFFAOYSA-N 0 3 408.462 0.942 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000672548809 1080682014 /nfs/dbraw/zinc/68/20/14/1080682014.db2.gz RJOKPDBHRBFNOP-UHFFFAOYSA-N 0 3 414.510 0.202 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000672559992 1080685403 /nfs/dbraw/zinc/68/54/03/1080685403.db2.gz YYJLNQZHWMYEFH-KRWDZBQOSA-N 0 3 401.511 0.240 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000672559993 1080685327 /nfs/dbraw/zinc/68/53/27/1080685327.db2.gz YYJLNQZHWMYEFH-QGZVFWFLSA-N 0 3 401.511 0.240 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000672562888 1080686753 /nfs/dbraw/zinc/68/67/53/1080686753.db2.gz NYQRGNZXEFLROH-UHFFFAOYSA-N 0 3 403.527 0.488 20 0 HCADHN CC(C)(CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccncc1 ZINC000672564776 1080688319 /nfs/dbraw/zinc/68/83/19/1080688319.db2.gz QKSHHLJTLDCKAY-UHFFFAOYSA-N 0 3 401.511 0.242 20 0 HCADHN CC[C@H](C)N(CCO)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000672568578 1080694284 /nfs/dbraw/zinc/69/42/84/1080694284.db2.gz JXNSLRDMOVMRRG-AWEZNQCLSA-N 0 3 419.494 0.891 20 0 HCADHN CC[C@@H](C)N(CCO)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000672568579 1080694175 /nfs/dbraw/zinc/69/41/75/1080694175.db2.gz JXNSLRDMOVMRRG-CQSZACIVSA-N 0 3 419.494 0.891 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)N(C)Cc1ccccc1 ZINC000672588056 1080695810 /nfs/dbraw/zinc/69/58/10/1080695810.db2.gz AVSDBJGNHYALIO-AZUAARDMSA-N 0 3 402.539 0.946 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)N(C)Cc1ccccc1 ZINC000672588057 1080695695 /nfs/dbraw/zinc/69/56/95/1080695695.db2.gz AVSDBJGNHYALIO-ICSRJNTNSA-N 0 3 402.539 0.946 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)N(C)Cc1ccccc1 ZINC000672588058 1080695967 /nfs/dbraw/zinc/69/59/67/1080695967.db2.gz AVSDBJGNHYALIO-QUCCMNQESA-N 0 3 402.539 0.946 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)N(C)Cc1ccccc1 ZINC000672588059 1080695735 /nfs/dbraw/zinc/69/57/35/1080695735.db2.gz AVSDBJGNHYALIO-UYAOXDASSA-N 0 3 402.539 0.946 20 0 HCADHN COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000672588195 1080695654 /nfs/dbraw/zinc/69/56/54/1080695654.db2.gz UWJNHAKDCLTIJV-KRWDZBQOSA-N 0 3 418.538 0.624 20 0 HCADHN COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000672588198 1080695630 /nfs/dbraw/zinc/69/56/30/1080695630.db2.gz UWJNHAKDCLTIJV-QGZVFWFLSA-N 0 3 418.538 0.624 20 0 HCADHN COCCN1CCCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1=O ZINC000672588388 1080695046 /nfs/dbraw/zinc/69/50/46/1080695046.db2.gz ZWYNPRPZEBMALV-KRWDZBQOSA-N 0 3 404.511 0.330 20 0 HCADHN COCCN1CCCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1=O ZINC000672588389 1080694873 /nfs/dbraw/zinc/69/48/73/1080694873.db2.gz ZWYNPRPZEBMALV-QGZVFWFLSA-N 0 3 404.511 0.330 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)N(C)Cc1ccccc1 ZINC000672588544 1080696743 /nfs/dbraw/zinc/69/67/43/1080696743.db2.gz XIBAMGWPTFYUQL-CRAIPNDOSA-N 0 3 412.494 0.278 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)N(C)Cc1ccccc1 ZINC000672588545 1080696510 /nfs/dbraw/zinc/69/65/10/1080696510.db2.gz XIBAMGWPTFYUQL-MAUKXSAKSA-N 0 3 412.494 0.278 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)N(C)Cc1ccccc1 ZINC000672588546 1080696407 /nfs/dbraw/zinc/69/64/07/1080696407.db2.gz XIBAMGWPTFYUQL-QAPCUYQASA-N 0 3 412.494 0.278 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)N(C)Cc1ccccc1 ZINC000672588547 1080696626 /nfs/dbraw/zinc/69/66/26/1080696626.db2.gz XIBAMGWPTFYUQL-YJBOKZPZSA-N 0 3 412.494 0.278 20 0 HCADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000672596819 1080700635 /nfs/dbraw/zinc/70/06/35/1080700635.db2.gz NFBFSXAIVRYCHY-AZUAARDMSA-N 0 3 401.555 0.471 20 0 HCADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000672596820 1080700234 /nfs/dbraw/zinc/70/02/34/1080700234.db2.gz NFBFSXAIVRYCHY-ICSRJNTNSA-N 0 3 401.555 0.471 20 0 HCADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000672596821 1080700577 /nfs/dbraw/zinc/70/05/77/1080700577.db2.gz NFBFSXAIVRYCHY-QUCCMNQESA-N 0 3 401.555 0.471 20 0 HCADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000672596822 1080700391 /nfs/dbraw/zinc/70/03/91/1080700391.db2.gz NFBFSXAIVRYCHY-UYAOXDASSA-N 0 3 401.555 0.471 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)C(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000672596861 1080700043 /nfs/dbraw/zinc/70/00/43/1080700043.db2.gz USDZFVOXIRGSOU-FQEVSTJZSA-N 0 3 401.555 0.391 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)C(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000672596862 1080700187 /nfs/dbraw/zinc/70/01/87/1080700187.db2.gz USDZFVOXIRGSOU-HXUWFJFHSA-N 0 3 401.555 0.391 20 0 HCADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000672596966 1080699577 /nfs/dbraw/zinc/69/95/77/1080699577.db2.gz PVSXJWGLAZXLPB-GPANFISMSA-N 0 3 419.492 0.270 20 0 HCADHN CN1CCN(C)[C@H](CNC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000672596967 1080699632 /nfs/dbraw/zinc/69/96/32/1080699632.db2.gz PVSXJWGLAZXLPB-UYSNPLJNSA-N 0 3 419.492 0.270 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000672609739 1080701133 /nfs/dbraw/zinc/70/11/33/1080701133.db2.gz FRHFMLGFDNPKBW-FQEVSTJZSA-N 0 3 412.538 0.837 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000672609740 1080701155 /nfs/dbraw/zinc/70/11/55/1080701155.db2.gz FRHFMLGFDNPKBW-HXUWFJFHSA-N 0 3 412.538 0.837 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1(C)C ZINC000672610010 1080701049 /nfs/dbraw/zinc/70/10/49/1080701049.db2.gz QCVSGNWQOMFVBJ-IBGZPJMESA-N 0 3 412.538 0.883 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1(C)C ZINC000672610011 1080701194 /nfs/dbraw/zinc/70/11/94/1080701194.db2.gz QCVSGNWQOMFVBJ-LJQANCHMSA-N 0 3 412.538 0.883 20 0 HCADHN Cc1cc(CNC(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)ncn1 ZINC000672633006 1080712650 /nfs/dbraw/zinc/71/26/50/1080712650.db2.gz JCJIHSOMAAFQHN-UHFFFAOYSA-N 0 3 410.522 0.677 20 0 HCADHN COC1(CO)CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000672634641 1080713193 /nfs/dbraw/zinc/71/31/93/1080713193.db2.gz MXAUUGNSGWPJPK-UHFFFAOYSA-N 0 3 413.584 0.854 20 0 HCADHN C[C@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CN(C)CCO1 ZINC000672635496 1080713298 /nfs/dbraw/zinc/71/32/98/1080713298.db2.gz WXMOIBPQDJFELA-DLBZAZTESA-N 0 3 412.600 0.690 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CN(C)CCO1 ZINC000672635497 1080713148 /nfs/dbraw/zinc/71/31/48/1080713148.db2.gz WXMOIBPQDJFELA-IAGOWNOFSA-N 0 3 412.600 0.690 20 0 HCADHN C[C@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CN(C)CCO1 ZINC000672635498 1080713360 /nfs/dbraw/zinc/71/33/60/1080713360.db2.gz WXMOIBPQDJFELA-IRXDYDNUSA-N 0 3 412.600 0.690 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CN(C)CCO1 ZINC000672635499 1080713248 /nfs/dbraw/zinc/71/32/48/1080713248.db2.gz WXMOIBPQDJFELA-SJORKVTESA-N 0 3 412.600 0.690 20 0 HCADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000672635603 1080713275 /nfs/dbraw/zinc/71/32/75/1080713275.db2.gz YMWUWQZBHVMCHS-FQEVSTJZSA-N 0 3 411.568 0.872 20 0 HCADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000672635604 1080713263 /nfs/dbraw/zinc/71/32/63/1080713263.db2.gz YMWUWQZBHVMCHS-HXUWFJFHSA-N 0 3 411.568 0.872 20 0 HCADHN Cc1cc(C)cc(CN(C)C(=O)C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000672650477 1080752279 /nfs/dbraw/zinc/75/22/79/1080752279.db2.gz WPMQUWZLNYHACC-UHFFFAOYSA-N 0 3 404.555 0.768 20 0 HCADHN CC1(C)CN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCN1CCO ZINC000672681688 1080756530 /nfs/dbraw/zinc/75/65/30/1080756530.db2.gz XYRONCPKTFDXLT-UHFFFAOYSA-N 0 3 403.571 0.902 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000672690455 1080758796 /nfs/dbraw/zinc/75/87/96/1080758796.db2.gz VPUFGKKXBSRTQW-MOPGFXCFSA-N 0 3 416.570 0.699 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000672690457 1080758975 /nfs/dbraw/zinc/75/89/75/1080758975.db2.gz VPUFGKKXBSRTQW-OALUTQOASA-N 0 3 416.570 0.699 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000672690458 1080758773 /nfs/dbraw/zinc/75/87/73/1080758773.db2.gz VPUFGKKXBSRTQW-RBUKOAKNSA-N 0 3 416.570 0.699 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000672690459 1080758944 /nfs/dbraw/zinc/75/89/44/1080758944.db2.gz VPUFGKKXBSRTQW-RTBURBONSA-N 0 3 416.570 0.699 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000672690962 1080759375 /nfs/dbraw/zinc/75/93/75/1080759375.db2.gz LHMQZFVYYKZJOD-AEFFLSMTSA-N 0 3 401.511 0.679 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000672690963 1080759437 /nfs/dbraw/zinc/75/94/37/1080759437.db2.gz LHMQZFVYYKZJOD-FUHWJXTLSA-N 0 3 401.511 0.679 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000672690964 1080759489 /nfs/dbraw/zinc/75/94/89/1080759489.db2.gz LHMQZFVYYKZJOD-SJLPKXTDSA-N 0 3 401.511 0.679 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000672690965 1080759284 /nfs/dbraw/zinc/75/92/84/1080759284.db2.gz LHMQZFVYYKZJOD-WMZOPIPTSA-N 0 3 401.511 0.679 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000672691180 1080759404 /nfs/dbraw/zinc/75/94/04/1080759404.db2.gz PNECWGSDKWNIKZ-GDBMZVCRSA-N 0 3 410.540 0.844 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000672691181 1080759260 /nfs/dbraw/zinc/75/92/60/1080759260.db2.gz PNECWGSDKWNIKZ-GOEBONIOSA-N 0 3 410.540 0.844 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000672691182 1080759388 /nfs/dbraw/zinc/75/93/88/1080759388.db2.gz PNECWGSDKWNIKZ-HOCLYGCPSA-N 0 3 410.540 0.844 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000672691183 1080759447 /nfs/dbraw/zinc/75/94/47/1080759447.db2.gz PNECWGSDKWNIKZ-ZBFHGGJFSA-N 0 3 410.540 0.844 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000672691465 1080759498 /nfs/dbraw/zinc/75/94/98/1080759498.db2.gz WIXGGGJKPQOLIW-INIZCTEOSA-N 0 3 420.514 0.056 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000672691466 1080759421 /nfs/dbraw/zinc/75/94/21/1080759421.db2.gz WIXGGGJKPQOLIW-MRXNPFEDSA-N 0 3 420.514 0.056 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000672692510 1080759912 /nfs/dbraw/zinc/75/99/12/1080759912.db2.gz CTAAZJUVADWFLL-GOSISDBHSA-N 0 3 421.586 0.570 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000672692511 1080759731 /nfs/dbraw/zinc/75/97/31/1080759731.db2.gz CTAAZJUVADWFLL-SFHVURJKSA-N 0 3 421.586 0.570 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000672692613 1080759934 /nfs/dbraw/zinc/75/99/34/1080759934.db2.gz GVISYAKTIQCTJQ-CVEARBPZSA-N 0 3 414.514 0.152 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000672692614 1080759876 /nfs/dbraw/zinc/75/98/76/1080759876.db2.gz GVISYAKTIQCTJQ-HOTGVXAUSA-N 0 3 414.514 0.152 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000672692615 1080759792 /nfs/dbraw/zinc/75/97/92/1080759792.db2.gz GVISYAKTIQCTJQ-HZPDHXFCSA-N 0 3 414.514 0.152 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000672692616 1080759858 /nfs/dbraw/zinc/75/98/58/1080759858.db2.gz GVISYAKTIQCTJQ-JKSUJKDBSA-N 0 3 414.514 0.152 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000672692929 1080760428 /nfs/dbraw/zinc/76/04/28/1080760428.db2.gz MOOFLFYFIYQJLN-CVEARBPZSA-N 0 3 404.515 0.018 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000672692930 1080760395 /nfs/dbraw/zinc/76/03/95/1080760395.db2.gz MOOFLFYFIYQJLN-HOTGVXAUSA-N 0 3 404.515 0.018 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000672692931 1080760575 /nfs/dbraw/zinc/76/05/75/1080760575.db2.gz MOOFLFYFIYQJLN-HZPDHXFCSA-N 0 3 404.515 0.018 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000672692932 1080760497 /nfs/dbraw/zinc/76/04/97/1080760497.db2.gz MOOFLFYFIYQJLN-JKSUJKDBSA-N 0 3 404.515 0.018 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000672692964 1080760469 /nfs/dbraw/zinc/76/04/69/1080760469.db2.gz NRKZCZWDSWPBOP-MOPGFXCFSA-N 0 3 421.586 0.522 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000672692965 1080760319 /nfs/dbraw/zinc/76/03/19/1080760319.db2.gz NRKZCZWDSWPBOP-OALUTQOASA-N 0 3 421.586 0.522 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000672692966 1080760446 /nfs/dbraw/zinc/76/04/46/1080760446.db2.gz NRKZCZWDSWPBOP-RBUKOAKNSA-N 0 3 421.586 0.522 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000672692967 1080760554 /nfs/dbraw/zinc/76/05/54/1080760554.db2.gz NRKZCZWDSWPBOP-RTBURBONSA-N 0 3 421.586 0.522 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000672693080 1080759751 /nfs/dbraw/zinc/75/97/51/1080759751.db2.gz PAUPSJDIJAMGQN-AWEZNQCLSA-N 0 3 408.528 0.706 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000672693086 1080760356 /nfs/dbraw/zinc/76/03/56/1080760356.db2.gz PAUPSJDIJAMGQN-CQSZACIVSA-N 0 3 408.528 0.706 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000672694478 1080756839 /nfs/dbraw/zinc/75/68/39/1080756839.db2.gz ZQSYGJZOZHEQCC-GOSISDBHSA-N 0 3 415.538 0.760 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000672694480 1080756816 /nfs/dbraw/zinc/75/68/16/1080756816.db2.gz ZQSYGJZOZHEQCC-SFHVURJKSA-N 0 3 415.538 0.760 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000672695182 1080757208 /nfs/dbraw/zinc/75/72/08/1080757208.db2.gz MDKPEIBIILACOU-IBGZPJMESA-N 0 3 421.586 0.524 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000672695183 1080757346 /nfs/dbraw/zinc/75/73/46/1080757346.db2.gz MDKPEIBIILACOU-LJQANCHMSA-N 0 3 421.586 0.524 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000672695669 1080757864 /nfs/dbraw/zinc/75/78/64/1080757864.db2.gz GVMUYMRMBQBDMG-INIZCTEOSA-N 0 3 407.490 0.664 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000672695672 1080757842 /nfs/dbraw/zinc/75/78/42/1080757842.db2.gz GVMUYMRMBQBDMG-MRXNPFEDSA-N 0 3 407.490 0.664 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000672695807 1080757439 /nfs/dbraw/zinc/75/74/39/1080757439.db2.gz IJRBBXVBQOTTGT-GOSISDBHSA-N 0 3 407.559 0.134 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000672695808 1080757310 /nfs/dbraw/zinc/75/73/10/1080757310.db2.gz IJRBBXVBQOTTGT-SFHVURJKSA-N 0 3 407.559 0.134 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000672695858 1080757476 /nfs/dbraw/zinc/75/74/76/1080757476.db2.gz JTADUKZGAVDDIO-MSOLQXFVSA-N 0 3 407.559 0.132 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000672695859 1080757281 /nfs/dbraw/zinc/75/72/81/1080757281.db2.gz JTADUKZGAVDDIO-QZTJIDSGSA-N 0 3 407.559 0.132 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000672695860 1080757762 /nfs/dbraw/zinc/75/77/62/1080757762.db2.gz JTADUKZGAVDDIO-ROUUACIJSA-N 0 3 407.559 0.132 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000672695861 1080757852 /nfs/dbraw/zinc/75/78/52/1080757852.db2.gz JTADUKZGAVDDIO-ZWKOTPCHSA-N 0 3 407.559 0.132 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000672695886 1080757907 /nfs/dbraw/zinc/75/79/07/1080757907.db2.gz LHMWVMXYXMNIMH-MSOLQXFVSA-N 0 3 421.586 0.569 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000672695887 1080757807 /nfs/dbraw/zinc/75/78/07/1080757807.db2.gz LHMWVMXYXMNIMH-QZTJIDSGSA-N 0 3 421.586 0.569 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000672695888 1080757894 /nfs/dbraw/zinc/75/78/94/1080757894.db2.gz LHMWVMXYXMNIMH-ROUUACIJSA-N 0 3 421.586 0.569 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000672695889 1080757743 /nfs/dbraw/zinc/75/77/43/1080757743.db2.gz LHMWVMXYXMNIMH-ZWKOTPCHSA-N 0 3 421.586 0.569 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000672696338 1080757372 /nfs/dbraw/zinc/75/73/72/1080757372.db2.gz VMSKRDITQHJFES-HNNXBMFYSA-N 0 3 414.514 0.003 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000672696340 1080757261 /nfs/dbraw/zinc/75/72/61/1080757261.db2.gz VMSKRDITQHJFES-OAHLLOKOSA-N 0 3 414.514 0.003 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000672697224 1080761588 /nfs/dbraw/zinc/76/15/88/1080761588.db2.gz PHDKCTGWFAJRGT-CVEARBPZSA-N 0 3 402.561 0.297 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000672697226 1080761471 /nfs/dbraw/zinc/76/14/71/1080761471.db2.gz PHDKCTGWFAJRGT-HOTGVXAUSA-N 0 3 402.561 0.297 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000672697230 1080761645 /nfs/dbraw/zinc/76/16/45/1080761645.db2.gz PHDKCTGWFAJRGT-HZPDHXFCSA-N 0 3 402.561 0.297 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000672697231 1080761362 /nfs/dbraw/zinc/76/13/62/1080761362.db2.gz PHDKCTGWFAJRGT-JKSUJKDBSA-N 0 3 402.561 0.297 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000672697326 1080761453 /nfs/dbraw/zinc/76/14/53/1080761453.db2.gz SDEBNVRYXWNUST-HKUYNNGSSA-N 0 3 416.522 0.903 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000672697335 1080761421 /nfs/dbraw/zinc/76/14/21/1080761421.db2.gz SDEBNVRYXWNUST-IEBWSBKVSA-N 0 3 416.522 0.903 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000672697337 1080761624 /nfs/dbraw/zinc/76/16/24/1080761624.db2.gz SDEBNVRYXWNUST-MJGOQNOKSA-N 0 3 416.522 0.903 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000672697339 1080761659 /nfs/dbraw/zinc/76/16/59/1080761659.db2.gz SDEBNVRYXWNUST-PKOBYXMFSA-N 0 3 416.522 0.903 20 0 HCADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@@H](CC)CN3CCCC3)CC2)n1 ZINC000672697515 1080761486 /nfs/dbraw/zinc/76/14/86/1080761486.db2.gz SHVPZBMIXIJDTC-KRWDZBQOSA-N 0 3 418.542 0.905 20 0 HCADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@H](CC)CN3CCCC3)CC2)n1 ZINC000672697519 1080761738 /nfs/dbraw/zinc/76/17/38/1080761738.db2.gz SHVPZBMIXIJDTC-QGZVFWFLSA-N 0 3 418.542 0.905 20 0 HCADHN CCOC1CC(CNC(=O)C(=O)N[C@H](CC)CN2CCCC2)(N2CCOCC2)C1 ZINC000672697783 1080762393 /nfs/dbraw/zinc/76/23/93/1080762393.db2.gz YHKABRJOQJIPRI-MPQSDHOMSA-N 0 3 410.559 0.363 20 0 HCADHN CCOC1CC(CNC(=O)C(=O)N[C@@H](CC)CN2CCCC2)(N2CCOCC2)C1 ZINC000672697784 1080762313 /nfs/dbraw/zinc/76/23/13/1080762313.db2.gz YHKABRJOQJIPRI-XPQZIERPSA-N 0 3 410.559 0.363 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000672698209 1080762241 /nfs/dbraw/zinc/76/22/41/1080762241.db2.gz MRAPZLHQNJIAQO-KRWDZBQOSA-N 0 3 422.551 0.833 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000672698210 1080762180 /nfs/dbraw/zinc/76/21/80/1080762180.db2.gz MRAPZLHQNJIAQO-QGZVFWFLSA-N 0 3 422.551 0.833 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000672698614 1080762046 /nfs/dbraw/zinc/76/20/46/1080762046.db2.gz HVZWUCDHGQYAJQ-AWEZNQCLSA-N 0 3 416.569 0.442 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000672698615 1080762297 /nfs/dbraw/zinc/76/22/97/1080762297.db2.gz HVZWUCDHGQYAJQ-CQSZACIVSA-N 0 3 416.569 0.442 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000672698756 1080761975 /nfs/dbraw/zinc/76/19/75/1080761975.db2.gz SPUPKICFNMVLLM-KRWDZBQOSA-N 0 3 424.567 0.722 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000672698758 1080762158 /nfs/dbraw/zinc/76/21/58/1080762158.db2.gz SPUPKICFNMVLLM-QGZVFWFLSA-N 0 3 424.567 0.722 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000672699106 1080762024 /nfs/dbraw/zinc/76/20/24/1080762024.db2.gz NMKMVMRARIYUAO-GOSISDBHSA-N 0 3 409.575 0.380 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000672699107 1080762277 /nfs/dbraw/zinc/76/22/77/1080762277.db2.gz NMKMVMRARIYUAO-SFHVURJKSA-N 0 3 409.575 0.380 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000672699196 1080762115 /nfs/dbraw/zinc/76/21/15/1080762115.db2.gz ZRJOUKABEDGYMR-HNNXBMFYSA-N 0 3 412.485 0.913 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000672699197 1080762409 /nfs/dbraw/zinc/76/24/09/1080762409.db2.gz ZRJOUKABEDGYMR-OAHLLOKOSA-N 0 3 412.485 0.913 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000672699776 1080762833 /nfs/dbraw/zinc/76/28/33/1080762833.db2.gz HFJRVMDRQUSUPU-KRWDZBQOSA-N 0 3 422.551 0.833 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000672699777 1080762659 /nfs/dbraw/zinc/76/26/59/1080762659.db2.gz HFJRVMDRQUSUPU-QGZVFWFLSA-N 0 3 422.551 0.833 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000672700042 1080762688 /nfs/dbraw/zinc/76/26/88/1080762688.db2.gz XNJOEVZAGYFSLJ-CVEARBPZSA-N 0 3 400.545 0.004 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000672700043 1080762813 /nfs/dbraw/zinc/76/28/13/1080762813.db2.gz XNJOEVZAGYFSLJ-HOTGVXAUSA-N 0 3 400.545 0.004 20 0 HCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000672700044 1080762791 /nfs/dbraw/zinc/76/27/91/1080762791.db2.gz XNJOEVZAGYFSLJ-HZPDHXFCSA-N 0 3 400.545 0.004 20 0 HCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000672700045 1080762726 /nfs/dbraw/zinc/76/27/26/1080762726.db2.gz XNJOEVZAGYFSLJ-JKSUJKDBSA-N 0 3 400.545 0.004 20 0 HCADHN CC1(C)CN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CCN1CCO ZINC000672709333 1080761399 /nfs/dbraw/zinc/76/13/99/1080761399.db2.gz XMLRDPFCGHREER-UHFFFAOYSA-N 0 3 405.547 0.087 20 0 HCADHN CCN1CCN(c2ccc(CNC(=O)N3CCN(CCO)C(C)(C)C3)cn2)CC1 ZINC000672725147 1080769596 /nfs/dbraw/zinc/76/95/96/1080769596.db2.gz ZUDAMWFGDQXGBR-UHFFFAOYSA-N 0 3 404.559 0.822 20 0 HCADHN Cc1cccn2cc(CCNC(=O)C(=O)N(C)CCCN3CCN(C)CC3)nc12 ZINC000672762626 1080773723 /nfs/dbraw/zinc/77/37/23/1080773723.db2.gz MAWMBWMOYUJPNK-UHFFFAOYSA-N 0 3 400.527 0.397 20 0 HCADHN Cc1cccn2cc(CCNC(=O)C(=O)NCCCCN3CCN(C)CC3)nc12 ZINC000672764610 1080774849 /nfs/dbraw/zinc/77/48/49/1080774849.db2.gz ZDRQXHTUOMEBEP-UHFFFAOYSA-N 0 3 400.527 0.445 20 0 HCADHN Cc1cccn2cc(CCNC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)nc12 ZINC000672764949 1080778539 /nfs/dbraw/zinc/77/85/39/1080778539.db2.gz FJCNLLYQDGFDIO-UHFFFAOYSA-N 0 3 400.527 0.444 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000672765139 1080777805 /nfs/dbraw/zinc/77/78/05/1080777805.db2.gz VAOGFJJZLVHHCE-KRWDZBQOSA-N 0 3 414.554 0.691 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000672765140 1080777822 /nfs/dbraw/zinc/77/78/22/1080777822.db2.gz VAOGFJJZLVHHCE-QGZVFWFLSA-N 0 3 414.554 0.691 20 0 HCADHN Cc1cccn2cc(CCNC(=O)C(=O)N(CCN(C)C)C[C@H]3CCCO3)nc12 ZINC000672765144 1080777793 /nfs/dbraw/zinc/77/77/93/1080777793.db2.gz VHNGESXDCUCRSS-GOSISDBHSA-N 0 3 401.511 0.871 20 0 HCADHN Cc1cccn2cc(CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]3CCCO3)nc12 ZINC000672765145 1080777573 /nfs/dbraw/zinc/77/75/73/1080777573.db2.gz VHNGESXDCUCRSS-SFHVURJKSA-N 0 3 401.511 0.871 20 0 HCADHN CNS(=O)(=O)c1cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)ccc1F ZINC000672769847 1080776607 /nfs/dbraw/zinc/77/66/07/1080776607.db2.gz UFRJCGODYUJXIE-UHFFFAOYSA-N 0 3 401.508 0.881 20 0 HCADHN COC1CCN(CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000672775515 1080781893 /nfs/dbraw/zinc/78/18/93/1080781893.db2.gz MVATYWZDPXYLSY-GFCCVEGCSA-N 0 3 404.455 0.219 20 0 HCADHN COC1CCN(CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000672775516 1080781967 /nfs/dbraw/zinc/78/19/67/1080781967.db2.gz MVATYWZDPXYLSY-LBPRGKRZSA-N 0 3 404.455 0.219 20 0 HCADHN CCCN(CCN1CCCCC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000672803244 1080784683 /nfs/dbraw/zinc/78/46/83/1080784683.db2.gz GTBJKHSDHJAJEF-UHFFFAOYSA-N 0 3 403.593 0.471 20 0 HCADHN C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000672803279 1080787915 /nfs/dbraw/zinc/78/79/15/1080787915.db2.gz MUJLDFPBWLQPCD-AEFFLSMTSA-N 0 3 411.572 0.554 20 0 HCADHN C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H](c1ccccc1)N(C)C ZINC000672803280 1080787868 /nfs/dbraw/zinc/78/78/68/1080787868.db2.gz MUJLDFPBWLQPCD-FUHWJXTLSA-N 0 3 411.572 0.554 20 0 HCADHN C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H](c1ccccc1)N(C)C ZINC000672803281 1080788004 /nfs/dbraw/zinc/78/80/04/1080788004.db2.gz MUJLDFPBWLQPCD-SJLPKXTDSA-N 0 3 411.572 0.554 20 0 HCADHN C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000672803321 1080788375 /nfs/dbraw/zinc/78/83/75/1080788375.db2.gz MUJLDFPBWLQPCD-WMZOPIPTSA-N 0 3 411.572 0.554 20 0 HCADHN CN(C)C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000672803322 1080788480 /nfs/dbraw/zinc/78/84/80/1080788480.db2.gz MUPZISAVNBIIGP-KRWDZBQOSA-N 0 3 415.535 0.305 20 0 HCADHN CN(C)C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000672803323 1080788659 /nfs/dbraw/zinc/78/86/59/1080788659.db2.gz MUPZISAVNBIIGP-QGZVFWFLSA-N 0 3 415.535 0.305 20 0 HCADHN C[C@H]1[C@@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN1Cc1ccccc1 ZINC000672803377 1080784906 /nfs/dbraw/zinc/78/49/06/1080784906.db2.gz UZFSIRZOZBGHQZ-HKUYNNGSSA-N 0 3 423.583 0.526 20 0 HCADHN C[C@@H]1[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN1Cc1ccccc1 ZINC000672803378 1080784776 /nfs/dbraw/zinc/78/47/76/1080784776.db2.gz UZFSIRZOZBGHQZ-IEBWSBKVSA-N 0 3 423.583 0.526 20 0 HCADHN C[C@@H]1[C@@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN1Cc1ccccc1 ZINC000672803379 1080785032 /nfs/dbraw/zinc/78/50/32/1080785032.db2.gz UZFSIRZOZBGHQZ-MJGOQNOKSA-N 0 3 423.583 0.526 20 0 HCADHN C[C@H]1[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN1Cc1ccccc1 ZINC000672803380 1080785351 /nfs/dbraw/zinc/78/53/51/1080785351.db2.gz UZFSIRZOZBGHQZ-PKOBYXMFSA-N 0 3 423.583 0.526 20 0 HCADHN CC[C@@H](C)N[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000672803416 1080785297 /nfs/dbraw/zinc/78/52/97/1080785297.db2.gz ZMMKYYOYNBMJTA-CVEARBPZSA-N 0 3 415.560 0.585 20 0 HCADHN CC[C@H](C)N[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000672803417 1080785501 /nfs/dbraw/zinc/78/55/01/1080785501.db2.gz ZMMKYYOYNBMJTA-HOTGVXAUSA-N 0 3 415.560 0.585 20 0 HCADHN CC[C@@H](C)N[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000672803418 1080785400 /nfs/dbraw/zinc/78/54/00/1080785400.db2.gz ZMMKYYOYNBMJTA-HZPDHXFCSA-N 0 3 415.560 0.585 20 0 HCADHN CC[C@H](C)N[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000672803419 1080785608 /nfs/dbraw/zinc/78/56/08/1080785608.db2.gz ZMMKYYOYNBMJTA-JKSUJKDBSA-N 0 3 415.560 0.585 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2csc(N(C)C)n2)CC1 ZINC000672806320 1080785473 /nfs/dbraw/zinc/78/54/73/1080785473.db2.gz FGNZGASQMXDDAA-UHFFFAOYSA-N 0 3 404.496 0.578 20 0 HCADHN CC1(C)CN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CCN1CCO ZINC000672834445 1080791491 /nfs/dbraw/zinc/79/14/91/1080791491.db2.gz FWDOANPGNOCGSP-UHFFFAOYSA-N 0 3 419.574 0.477 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1(C)C ZINC000672854290 1080799879 /nfs/dbraw/zinc/79/98/79/1080799879.db2.gz KBJZZLKLEHKUMS-KRWDZBQOSA-N 0 3 407.559 0.036 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1(C)C ZINC000672854291 1080799983 /nfs/dbraw/zinc/79/99/83/1080799983.db2.gz KBJZZLKLEHKUMS-QGZVFWFLSA-N 0 3 407.559 0.036 20 0 HCADHN COc1ccc(CN(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1OC ZINC000672854481 1080799927 /nfs/dbraw/zinc/79/99/27/1080799927.db2.gz WFFLWJXVLAVHNX-UHFFFAOYSA-N 0 3 406.527 0.804 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)NC2CCN(c3cccs3)CC2)CC1(C)C ZINC000672854524 1080799738 /nfs/dbraw/zinc/79/97/38/1080799738.db2.gz METAEYVHMOULCD-UHFFFAOYSA-N 0 3 407.584 0.975 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC000672854646 1080800112 /nfs/dbraw/zinc/80/01/12/1080800112.db2.gz YNMIYBMTMRLWDS-GOSISDBHSA-N 0 3 406.502 0.948 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC000672854647 1080799951 /nfs/dbraw/zinc/79/99/51/1080799951.db2.gz YNMIYBMTMRLWDS-SFHVURJKSA-N 0 3 406.502 0.948 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1(C)C ZINC000672854701 1080799666 /nfs/dbraw/zinc/79/96/66/1080799666.db2.gz IMCZOUQCSFYRMG-AWEZNQCLSA-N 0 3 408.465 0.699 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1(C)C ZINC000672854702 1080799904 /nfs/dbraw/zinc/79/99/04/1080799904.db2.gz IMCZOUQCSFYRMG-CQSZACIVSA-N 0 3 408.465 0.699 20 0 HCADHN Cc1ccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(N2CCCC2)n1 ZINC000672854774 1080800145 /nfs/dbraw/zinc/80/01/45/1080800145.db2.gz AQEMUGWXEUTIKU-UHFFFAOYSA-N 0 3 416.570 0.749 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1(C)C ZINC000672854787 1080800018 /nfs/dbraw/zinc/80/00/18/1080800018.db2.gz FPVJHMJCDDTDRR-UHFFFAOYSA-N 0 3 401.511 0.004 20 0 HCADHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000672854798 1080799708 /nfs/dbraw/zinc/79/97/08/1080799708.db2.gz LQBCGUFCIMVOJX-KRWDZBQOSA-N 0 3 404.511 0.777 20 0 HCADHN COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000672854799 1080800087 /nfs/dbraw/zinc/80/00/87/1080800087.db2.gz LQBCGUFCIMVOJX-QGZVFWFLSA-N 0 3 404.511 0.777 20 0 HCADHN COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000672854803 1080799800 /nfs/dbraw/zinc/79/98/00/1080799800.db2.gz MWKJEJBFOAVESZ-INIZCTEOSA-N 0 3 404.511 0.777 20 0 HCADHN COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000672854804 1080799774 /nfs/dbraw/zinc/79/97/74/1080799774.db2.gz MWKJEJBFOAVESZ-MRXNPFEDSA-N 0 3 404.511 0.777 20 0 HCADHN CN1CCN(CCNC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)CC1(C)C ZINC000672854929 1080800673 /nfs/dbraw/zinc/80/06/73/1080800673.db2.gz OOBSPFDYLNFBBK-UHFFFAOYSA-N 0 3 417.558 0.073 20 0 HCADHN COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000672857525 1080796179 /nfs/dbraw/zinc/79/61/79/1080796179.db2.gz BKDOEBCKWPKDLQ-GOSISDBHSA-N 0 3 404.511 0.731 20 0 HCADHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000672857526 1080796252 /nfs/dbraw/zinc/79/62/52/1080796252.db2.gz BKDOEBCKWPKDLQ-SFHVURJKSA-N 0 3 404.511 0.731 20 0 HCADHN CN(Cc1ccccc1)C1CN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000672876447 1080801872 /nfs/dbraw/zinc/80/18/72/1080801872.db2.gz FTXSNOWVZWBIQD-FQEVSTJZSA-N 0 3 401.555 0.919 20 0 HCADHN CN(Cc1ccccc1)C1CN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000672876448 1080801824 /nfs/dbraw/zinc/80/18/24/1080801824.db2.gz FTXSNOWVZWBIQD-HXUWFJFHSA-N 0 3 401.555 0.919 20 0 HCADHN CN1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876696 1080801290 /nfs/dbraw/zinc/80/12/90/1080801290.db2.gz XMVXGWOBAJNHHF-FCHUYYIVSA-N 0 3 415.582 0.961 20 0 HCADHN CN1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876697 1080801410 /nfs/dbraw/zinc/80/14/10/1080801410.db2.gz XMVXGWOBAJNHHF-FGZHOGPDSA-N 0 3 415.582 0.961 20 0 HCADHN CN1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876698 1080801164 /nfs/dbraw/zinc/80/11/64/1080801164.db2.gz XMVXGWOBAJNHHF-VXKWHMMOSA-N 0 3 415.582 0.961 20 0 HCADHN CN1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876699 1080801355 /nfs/dbraw/zinc/80/13/55/1080801355.db2.gz XMVXGWOBAJNHHF-YADHBBJMSA-N 0 3 415.582 0.961 20 0 HCADHN CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1F ZINC000672910673 1080818263 /nfs/dbraw/zinc/81/82/63/1080818263.db2.gz IBGICECNQGXXOI-AWEZNQCLSA-N 0 3 412.487 0.615 20 0 HCADHN CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1F ZINC000672910674 1080818250 /nfs/dbraw/zinc/81/82/50/1080818250.db2.gz IBGICECNQGXXOI-CQSZACIVSA-N 0 3 412.487 0.615 20 0 HCADHN COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672910712 1080818404 /nfs/dbraw/zinc/81/84/04/1080818404.db2.gz SLPSVPRQPYPXGV-HNNXBMFYSA-N 0 3 409.508 0.779 20 0 HCADHN COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672910713 1080818337 /nfs/dbraw/zinc/81/83/37/1080818337.db2.gz SLPSVPRQPYPXGV-OAHLLOKOSA-N 0 3 409.508 0.779 20 0 HCADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000672926916 1080823549 /nfs/dbraw/zinc/82/35/49/1080823549.db2.gz VGKCHMSZPLXZHD-UHFFFAOYSA-N 0 3 411.591 0.711 20 0 HCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC2(OC)CCOCC2)c1 ZINC000672993389 1080839706 /nfs/dbraw/zinc/83/97/06/1080839706.db2.gz UMIVZUQBTJAVQG-UHFFFAOYSA-N 0 3 407.511 0.897 20 0 HCADHN COC1(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCOCC1 ZINC000672995178 1080841152 /nfs/dbraw/zinc/84/11/52/1080841152.db2.gz TVQQQYZBXYKAHJ-IBGZPJMESA-N 0 3 419.522 0.706 20 0 HCADHN COC1(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCOCC1 ZINC000672995179 1080841261 /nfs/dbraw/zinc/84/12/61/1080841261.db2.gz TVQQQYZBXYKAHJ-LJQANCHMSA-N 0 3 419.522 0.706 20 0 HCADHN COC1(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CCOCC1 ZINC000672996072 1080842284 /nfs/dbraw/zinc/84/22/84/1080842284.db2.gz OUHMFHATGGEPJW-UHFFFAOYSA-N 0 3 419.522 0.571 20 0 HCADHN CC(C)OCCNC(=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000673006818 1080845216 /nfs/dbraw/zinc/84/52/16/1080845216.db2.gz GKUUYWCTXGSYIW-IBGZPJMESA-N 0 3 417.554 0.983 20 0 HCADHN CC(C)OCCNC(=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000673006819 1080845121 /nfs/dbraw/zinc/84/51/21/1080845121.db2.gz GKUUYWCTXGSYIW-LJQANCHMSA-N 0 3 417.554 0.983 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCc3ccccc3C2)CC1 ZINC000673019587 1080851514 /nfs/dbraw/zinc/85/15/14/1080851514.db2.gz JFFZLOFUALKJSU-FXAWDEMLSA-N 0 3 412.534 0.673 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCc3ccccc3C2)CC1 ZINC000673019588 1080851642 /nfs/dbraw/zinc/85/16/42/1080851642.db2.gz JFFZLOFUALKJSU-PXNSSMCTSA-N 0 3 412.534 0.673 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)CC1 ZINC000673019589 1080851575 /nfs/dbraw/zinc/85/15/75/1080851575.db2.gz JFFZLOFUALKJSU-XLIONFOSSA-N 0 3 412.534 0.673 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)CC1 ZINC000673019590 1080851537 /nfs/dbraw/zinc/85/15/37/1080851537.db2.gz JFFZLOFUALKJSU-YLJYHZDGSA-N 0 3 412.534 0.673 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)CC1 ZINC000673026860 1080853954 /nfs/dbraw/zinc/85/39/54/1080853954.db2.gz CZVSZBFATDCJTN-GOSISDBHSA-N 0 3 414.550 0.920 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCc3ccccc3C2)CC1 ZINC000673026861 1080853859 /nfs/dbraw/zinc/85/38/59/1080853859.db2.gz CZVSZBFATDCJTN-SFHVURJKSA-N 0 3 414.550 0.920 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)CC1 ZINC000673030522 1080854846 /nfs/dbraw/zinc/85/48/46/1080854846.db2.gz SGKRCNRDZWZDPP-GOSISDBHSA-N 0 3 412.534 0.674 20 0 HCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCc3ccccc3C2)CC1 ZINC000673030524 1080854880 /nfs/dbraw/zinc/85/48/80/1080854880.db2.gz SGKRCNRDZWZDPP-SFHVURJKSA-N 0 3 412.534 0.674 20 0 HCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000673059171 1080865759 /nfs/dbraw/zinc/86/57/59/1080865759.db2.gz HGPHDQMVQINMLS-HKUYNNGSSA-N 0 3 424.505 0.375 20 0 HCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000673059172 1080865795 /nfs/dbraw/zinc/86/57/95/1080865795.db2.gz HGPHDQMVQINMLS-IEBWSBKVSA-N 0 3 424.505 0.375 20 0 HCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000673059173 1080865945 /nfs/dbraw/zinc/86/59/45/1080865945.db2.gz HGPHDQMVQINMLS-MJGOQNOKSA-N 0 3 424.505 0.375 20 0 HCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000673059174 1080865889 /nfs/dbraw/zinc/86/58/89/1080865889.db2.gz HGPHDQMVQINMLS-PKOBYXMFSA-N 0 3 424.505 0.375 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCOC3(CCOCC3)CC2)Cc2ccccc2C1 ZINC000673095873 1080873951 /nfs/dbraw/zinc/87/39/51/1080873951.db2.gz AZWDVMXLZVAQSJ-UHFFFAOYSA-N 0 3 415.534 1.000 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000673095947 1080873881 /nfs/dbraw/zinc/87/38/81/1080873881.db2.gz QKMHKOZTLKBGIG-FQEVSTJZSA-N 0 3 414.550 0.525 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000673095948 1080874003 /nfs/dbraw/zinc/87/40/03/1080874003.db2.gz QKMHKOZTLKBGIG-HXUWFJFHSA-N 0 3 414.550 0.525 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCC(OCCCO)CC2)Cc2ccccc2C1 ZINC000673096131 1080876245 /nfs/dbraw/zinc/87/62/45/1080876245.db2.gz VCWJJRMZTFOFNN-UHFFFAOYSA-N 0 3 403.523 0.592 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)Cc2ccccc2C1 ZINC000673096138 1080876287 /nfs/dbraw/zinc/87/62/87/1080876287.db2.gz ZEHMKEBWIFPUEC-MOPGFXCFSA-N 0 3 401.507 0.608 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)Cc2ccccc2C1 ZINC000673096139 1080876230 /nfs/dbraw/zinc/87/62/30/1080876230.db2.gz ZEHMKEBWIFPUEC-OALUTQOASA-N 0 3 401.507 0.608 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)Cc2ccccc2C1 ZINC000673096140 1080876130 /nfs/dbraw/zinc/87/61/30/1080876130.db2.gz ZEHMKEBWIFPUEC-RBUKOAKNSA-N 0 3 401.507 0.608 20 0 HCADHN CN(C)C1(CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)Cc2ccccc2C1 ZINC000673096141 1080876272 /nfs/dbraw/zinc/87/62/72/1080876272.db2.gz ZEHMKEBWIFPUEC-RTBURBONSA-N 0 3 401.507 0.608 20 0 HCADHN CSc1ccncc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000673126257 1080887796 /nfs/dbraw/zinc/88/77/96/1080887796.db2.gz BPZJZJBSULHKQG-AGUYFDCRSA-N 0 3 405.524 0.942 20 0 HCADHN COc1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(OC)n1 ZINC000673126267 1080887938 /nfs/dbraw/zinc/88/79/38/1080887938.db2.gz NWDUSAJWWIOBEV-AGUYFDCRSA-N 0 3 419.482 0.237 20 0 HCADHN CC[C@@H](C)N[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000673143119 1080894630 /nfs/dbraw/zinc/89/46/30/1080894630.db2.gz WQYLTHXOHPZOMI-CABCVRRESA-N 0 3 401.533 0.842 20 0 HCADHN CC[C@H](C)N[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000673143120 1080894706 /nfs/dbraw/zinc/89/47/06/1080894706.db2.gz WQYLTHXOHPZOMI-GJZGRUSLSA-N 0 3 401.533 0.842 20 0 HCADHN CC[C@@H](C)N[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000673143121 1080894618 /nfs/dbraw/zinc/89/46/18/1080894618.db2.gz WQYLTHXOHPZOMI-HUUCEWRRSA-N 0 3 401.533 0.842 20 0 HCADHN CC[C@H](C)N[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccco1 ZINC000673143122 1080894582 /nfs/dbraw/zinc/89/45/82/1080894582.db2.gz WQYLTHXOHPZOMI-LSDHHAIUSA-N 0 3 401.533 0.842 20 0 HCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2nccc(C(C)C)n2)CC1 ZINC000673148380 1080896929 /nfs/dbraw/zinc/89/69/29/1080896929.db2.gz GCXPESJAXRDADF-UHFFFAOYSA-N 0 3 406.531 0.333 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673173595 1080899415 /nfs/dbraw/zinc/89/94/15/1080899415.db2.gz KURKBJKJQUOKCJ-GIVPXCGWSA-N 0 3 414.550 0.946 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673173596 1080899366 /nfs/dbraw/zinc/89/93/66/1080899366.db2.gz KURKBJKJQUOKCJ-HLAWJBBLSA-N 0 3 414.550 0.946 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673173597 1080899333 /nfs/dbraw/zinc/89/93/33/1080899333.db2.gz KURKBJKJQUOKCJ-HMXCVIKNSA-N 0 3 414.550 0.946 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673173598 1080899459 /nfs/dbraw/zinc/89/94/59/1080899459.db2.gz KURKBJKJQUOKCJ-NRSPTQNISA-N 0 3 414.550 0.946 20 0 HCADHN NC(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000673174640 1080900601 /nfs/dbraw/zinc/90/06/01/1080900601.db2.gz MNEDUZRAYDGZFK-MSOLQXFVSA-N 0 3 424.505 0.993 20 0 HCADHN NC(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000673174647 1080900772 /nfs/dbraw/zinc/90/07/72/1080900772.db2.gz MNEDUZRAYDGZFK-QZTJIDSGSA-N 0 3 424.505 0.993 20 0 HCADHN NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000673174648 1080900556 /nfs/dbraw/zinc/90/05/56/1080900556.db2.gz MNEDUZRAYDGZFK-ROUUACIJSA-N 0 3 424.505 0.993 20 0 HCADHN NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000673174649 1080901556 /nfs/dbraw/zinc/90/15/56/1080901556.db2.gz MNEDUZRAYDGZFK-ZWKOTPCHSA-N 0 3 424.505 0.993 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)c(C)c2)CC1 ZINC000673174717 1080899863 /nfs/dbraw/zinc/89/98/63/1080899863.db2.gz FXWABWOETQKNSN-INIZCTEOSA-N 0 3 401.511 0.799 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)c(C)c2)CC1 ZINC000673174718 1080899946 /nfs/dbraw/zinc/89/99/46/1080899946.db2.gz FXWABWOETQKNSN-MRXNPFEDSA-N 0 3 401.511 0.799 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000673175673 1080904179 /nfs/dbraw/zinc/90/41/79/1080904179.db2.gz YRGSHROKZJPFIR-KRWDZBQOSA-N 0 3 401.511 0.487 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000673175687 1080903278 /nfs/dbraw/zinc/90/32/78/1080903278.db2.gz YRGSHROKZJPFIR-QGZVFWFLSA-N 0 3 401.511 0.487 20 0 HCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)c2)CC1 ZINC000673176263 1080906226 /nfs/dbraw/zinc/90/62/26/1080906226.db2.gz MGDBXPHHTLWOTK-INIZCTEOSA-N 0 3 401.511 0.879 20 0 HCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)c2)CC1 ZINC000673176265 1080906488 /nfs/dbraw/zinc/90/64/88/1080906488.db2.gz MGDBXPHHTLWOTK-MRXNPFEDSA-N 0 3 401.511 0.879 20 0 HCADHN NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000673176570 1080905407 /nfs/dbraw/zinc/90/54/07/1080905407.db2.gz WYOAMJQNDUSSIN-INIZCTEOSA-N 0 3 404.536 0.940 20 0 HCADHN NC(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000673176571 1080905808 /nfs/dbraw/zinc/90/58/08/1080905808.db2.gz WYOAMJQNDUSSIN-MRXNPFEDSA-N 0 3 404.536 0.940 20 0 HCADHN COC1CCN(CCNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000673226219 1080927971 /nfs/dbraw/zinc/92/79/71/1080927971.db2.gz KQRFLKWSONKFCB-INIZCTEOSA-N 0 3 410.540 0.860 20 0 HCADHN C[C@@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCN1Cc1ccccc1 ZINC000673236784 1080939003 /nfs/dbraw/zinc/93/90/03/1080939003.db2.gz KNWOVUGJYFDRAW-AEFFLSMTSA-N 0 3 409.556 0.783 20 0 HCADHN C[C@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCN1Cc1ccccc1 ZINC000673236785 1080939279 /nfs/dbraw/zinc/93/92/79/1080939279.db2.gz KNWOVUGJYFDRAW-FUHWJXTLSA-N 0 3 409.556 0.783 20 0 HCADHN C[C@@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCN1Cc1ccccc1 ZINC000673236786 1080939159 /nfs/dbraw/zinc/93/91/59/1080939159.db2.gz KNWOVUGJYFDRAW-SJLPKXTDSA-N 0 3 409.556 0.783 20 0 HCADHN C[C@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCN1Cc1ccccc1 ZINC000673236787 1080938763 /nfs/dbraw/zinc/93/87/63/1080938763.db2.gz KNWOVUGJYFDRAW-WMZOPIPTSA-N 0 3 409.556 0.783 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000673251620 1080945432 /nfs/dbraw/zinc/94/54/32/1080945432.db2.gz UZTSSKYBDIPHIF-GOSISDBHSA-N 0 3 418.538 0.891 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 ZINC000673251621 1080945180 /nfs/dbraw/zinc/94/51/80/1080945180.db2.gz UZTSSKYBDIPHIF-SFHVURJKSA-N 0 3 418.538 0.891 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 ZINC000673252319 1080946458 /nfs/dbraw/zinc/94/64/58/1080946458.db2.gz MBRQGKASKKWACS-GOSISDBHSA-N 0 3 418.538 0.891 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccccc2C)CC1 ZINC000673252320 1080946738 /nfs/dbraw/zinc/94/67/38/1080946738.db2.gz MBRQGKASKKWACS-SFHVURJKSA-N 0 3 418.538 0.891 20 0 HCADHN Cc1ccc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c(N2CCCC2)n1 ZINC000673254981 1080948907 /nfs/dbraw/zinc/94/89/07/1080948907.db2.gz BVKINQLBYDQKAI-UHFFFAOYSA-N 0 3 416.570 0.702 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000673257312 1080947315 /nfs/dbraw/zinc/94/73/15/1080947315.db2.gz PUCIUMBYEJPEDA-UHFFFAOYSA-N 0 3 421.489 0.917 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(Cc3ccccc3)CC2)CC1 ZINC000673276135 1080960706 /nfs/dbraw/zinc/96/07/06/1080960706.db2.gz BMSLKICDCKIHGP-IBGZPJMESA-N 0 3 412.534 0.891 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(Cc3ccccc3)CC2)CC1 ZINC000673276136 1080960906 /nfs/dbraw/zinc/96/09/06/1080960906.db2.gz BMSLKICDCKIHGP-LJQANCHMSA-N 0 3 412.534 0.891 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000673283690 1080967384 /nfs/dbraw/zinc/96/73/84/1080967384.db2.gz UPPLUCCLWOIZEC-MOPGFXCFSA-N 0 3 413.522 0.054 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000673283697 1080967526 /nfs/dbraw/zinc/96/75/26/1080967526.db2.gz UPPLUCCLWOIZEC-OALUTQOASA-N 0 3 413.522 0.054 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000673283699 1080967213 /nfs/dbraw/zinc/96/72/13/1080967213.db2.gz UPPLUCCLWOIZEC-RBUKOAKNSA-N 0 3 413.522 0.054 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000673283701 1080967663 /nfs/dbraw/zinc/96/76/63/1080967663.db2.gz UPPLUCCLWOIZEC-RTBURBONSA-N 0 3 413.522 0.054 20 0 HCADHN CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000673287741 1080971928 /nfs/dbraw/zinc/97/19/28/1080971928.db2.gz DCOZYPDGOHIJKT-IBGZPJMESA-N 0 3 413.522 0.056 20 0 HCADHN CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000673287742 1080971998 /nfs/dbraw/zinc/97/19/98/1080971998.db2.gz DCOZYPDGOHIJKT-LJQANCHMSA-N 0 3 413.522 0.056 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000673290120 1080973510 /nfs/dbraw/zinc/97/35/10/1080973510.db2.gz ZRJYIGKHFPQVNE-IBGZPJMESA-N 0 3 415.538 0.302 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000673290121 1080973240 /nfs/dbraw/zinc/97/32/40/1080973240.db2.gz ZRJYIGKHFPQVNE-LJQANCHMSA-N 0 3 415.538 0.302 20 0 HCADHN COCC(=O)N1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000673292653 1080977385 /nfs/dbraw/zinc/97/73/85/1080977385.db2.gz CTHBQSNSTSJANY-UHFFFAOYSA-N 0 3 408.543 0.466 20 0 HCADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000673292961 1080976994 /nfs/dbraw/zinc/97/69/94/1080976994.db2.gz GXCJJGUATXGUGG-UHFFFAOYSA-N 0 3 414.572 0.157 20 0 HCADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000673293005 1080977135 /nfs/dbraw/zinc/97/71/35/1080977135.db2.gz LCNCIBKZLOYUIL-IBGZPJMESA-N 0 3 424.586 0.300 20 0 HCADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000673293006 1080977075 /nfs/dbraw/zinc/97/70/75/1080977075.db2.gz LCNCIBKZLOYUIL-LJQANCHMSA-N 0 3 424.586 0.300 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673300267 1080978784 /nfs/dbraw/zinc/97/87/84/1080978784.db2.gz OJHKLXYWWNMFQS-INIZCTEOSA-N 0 3 410.478 0.529 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673300270 1080978678 /nfs/dbraw/zinc/97/86/78/1080978678.db2.gz OJHKLXYWWNMFQS-MRXNPFEDSA-N 0 3 410.478 0.529 20 0 HCADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cn1C ZINC000673309394 1080997238 /nfs/dbraw/zinc/99/72/38/1080997238.db2.gz HPJYDDTZCDHVPG-INIZCTEOSA-N 0 3 411.503 0.955 20 0 HCADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cn1C ZINC000673309395 1080997030 /nfs/dbraw/zinc/99/70/30/1080997030.db2.gz HPJYDDTZCDHVPG-MRXNPFEDSA-N 0 3 411.503 0.955 20 0 HCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000673322556 1081004169 /nfs/dbraw/zinc/00/41/69/1081004169.db2.gz TZWOFOOHKLVVHJ-DAYGRLMNSA-N 0 3 405.524 0.866 20 0 HCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000673322563 1081004198 /nfs/dbraw/zinc/00/41/98/1081004198.db2.gz TZWOFOOHKLVVHJ-HDMKZQKVSA-N 0 3 405.524 0.866 20 0 HCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000673322565 1081003985 /nfs/dbraw/zinc/00/39/85/1081003985.db2.gz TZWOFOOHKLVVHJ-MPGHIAIKSA-N 0 3 405.524 0.866 20 0 HCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000673322566 1081004060 /nfs/dbraw/zinc/00/40/60/1081004060.db2.gz TZWOFOOHKLVVHJ-RLFYNMQTSA-N 0 3 405.524 0.866 20 0 HCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000673327263 1081001336 /nfs/dbraw/zinc/00/13/36/1081001336.db2.gz ZGISDFDBVCEJJG-UHFFFAOYSA-N 0 3 421.508 0.473 20 0 HCADHN COC1(CO)CCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000673330177 1081008846 /nfs/dbraw/zinc/00/88/46/1081008846.db2.gz RGYQNEMPBPINRA-UHFFFAOYSA-N 0 3 419.522 0.259 20 0 HCADHN CC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)[C@@H](C)C1 ZINC000673330191 1081008836 /nfs/dbraw/zinc/00/88/36/1081008836.db2.gz TXRPYYWDHRHQTM-INIZCTEOSA-N 0 3 416.522 0.339 20 0 HCADHN CC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)[C@H](C)C1 ZINC000673330192 1081008803 /nfs/dbraw/zinc/00/88/03/1081008803.db2.gz TXRPYYWDHRHQTM-MRXNPFEDSA-N 0 3 416.522 0.339 20 0 HCADHN COCCN1CCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000673330219 1081008951 /nfs/dbraw/zinc/00/89/51/1081008951.db2.gz WONRNPWLVTWSNO-UHFFFAOYSA-N 0 3 418.538 0.050 20 0 HCADHN Cc1cn2c(n1)CN(C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)CC2 ZINC000673330248 1081008991 /nfs/dbraw/zinc/00/89/91/1081008991.db2.gz BPJRSEDTZGGIID-UHFFFAOYSA-N 0 3 411.506 0.807 20 0 HCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000673330251 1081008971 /nfs/dbraw/zinc/00/89/71/1081008971.db2.gz BXVJTJVUFIUSJT-GOSISDBHSA-N 0 3 416.522 0.387 20 0 HCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000673330252 1081008869 /nfs/dbraw/zinc/00/88/69/1081008869.db2.gz BXVJTJVUFIUSJT-SFHVURJKSA-N 0 3 416.522 0.387 20 0 HCADHN C[C@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CN(C)CCO1 ZINC000673330273 1081004727 /nfs/dbraw/zinc/00/47/27/1081004727.db2.gz FKKUFFHIEKEXIH-JXFKEZNVSA-N 0 3 418.538 0.095 20 0 HCADHN C[C@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CN(C)CCO1 ZINC000673330274 1081004674 /nfs/dbraw/zinc/00/46/74/1081004674.db2.gz FKKUFFHIEKEXIH-OXJNMPFZSA-N 0 3 418.538 0.095 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CN(C)CCO1 ZINC000673330275 1081004526 /nfs/dbraw/zinc/00/45/26/1081004526.db2.gz FKKUFFHIEKEXIH-OXQOHEQNSA-N 0 3 418.538 0.095 20 0 HCADHN C[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CN(C)CCO1 ZINC000673330276 1081004618 /nfs/dbraw/zinc/00/46/18/1081004618.db2.gz FKKUFFHIEKEXIH-UZLBHIALSA-N 0 3 418.538 0.095 20 0 HCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000673330334 1081004563 /nfs/dbraw/zinc/00/45/63/1081004563.db2.gz UHRXBHFYZGRINX-JOCHJYFZSA-N 0 3 401.507 0.899 20 0 HCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000673330335 1081004757 /nfs/dbraw/zinc/00/47/57/1081004757.db2.gz UHRXBHFYZGRINX-QFIPXVFZSA-N 0 3 401.507 0.899 20 0 HCADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCCN(C4CCCC4)CC3)C2=O)n(C)n1 ZINC000673332024 1081005005 /nfs/dbraw/zinc/00/50/05/1081005005.db2.gz AFZZLXITFYLYBQ-KRWDZBQOSA-N 0 3 416.526 0.427 20 0 HCADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCCN(C4CCCC4)CC3)C2=O)n(C)n1 ZINC000673332025 1081005224 /nfs/dbraw/zinc/00/52/24/1081005224.db2.gz AFZZLXITFYLYBQ-QGZVFWFLSA-N 0 3 416.526 0.427 20 0 HCADHN CCc1cnc(CCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000673333588 1081008394 /nfs/dbraw/zinc/00/83/94/1081008394.db2.gz HCVAYDMIMQPYAK-HNNXBMFYSA-N 0 3 407.540 0.129 20 0 HCADHN CCc1cnc(CCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000673333589 1081008454 /nfs/dbraw/zinc/00/84/54/1081008454.db2.gz HCVAYDMIMQPYAK-OAHLLOKOSA-N 0 3 407.540 0.129 20 0 HCADHN CC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1)C(=O)N1CCOCC1 ZINC000673338253 1081018045 /nfs/dbraw/zinc/01/80/45/1081018045.db2.gz JIOGCFNRJRYSLT-KRWDZBQOSA-N 0 3 408.499 0.232 20 0 HCADHN CC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1)C(=O)N1CCOCC1 ZINC000673338254 1081018108 /nfs/dbraw/zinc/01/81/08/1081018108.db2.gz JIOGCFNRJRYSLT-QGZVFWFLSA-N 0 3 408.499 0.232 20 0 HCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000673338697 1081014988 /nfs/dbraw/zinc/01/49/88/1081014988.db2.gz FASLXHFYMOXFQT-HSALFYBXSA-N 0 3 419.522 0.656 20 0 HCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000673338698 1081014815 /nfs/dbraw/zinc/01/48/15/1081014815.db2.gz FASLXHFYMOXFQT-SLFFLAALSA-N 0 3 419.522 0.656 20 0 HCADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000673338700 1081014890 /nfs/dbraw/zinc/01/48/90/1081014890.db2.gz FASLXHFYMOXFQT-VAMGGRTRSA-N 0 3 419.522 0.656 20 0 HCADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000673338704 1081014955 /nfs/dbraw/zinc/01/49/55/1081014955.db2.gz FASLXHFYMOXFQT-XUVXKRRUSA-N 0 3 419.522 0.656 20 0 HCADHN CC[C@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000673338709 1081015016 /nfs/dbraw/zinc/01/50/16/1081015016.db2.gz PSHFNTIZEDQONG-MOPGFXCFSA-N 0 3 416.522 0.473 20 0 HCADHN CC[C@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000673338710 1081015054 /nfs/dbraw/zinc/01/50/54/1081015054.db2.gz PSHFNTIZEDQONG-OALUTQOASA-N 0 3 416.522 0.473 20 0 HCADHN CC[C@@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000673338712 1081014773 /nfs/dbraw/zinc/01/47/73/1081014773.db2.gz PSHFNTIZEDQONG-RBUKOAKNSA-N 0 3 416.522 0.473 20 0 HCADHN CC[C@@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000673338713 1081014914 /nfs/dbraw/zinc/01/49/14/1081014914.db2.gz PSHFNTIZEDQONG-RTBURBONSA-N 0 3 416.522 0.473 20 0 HCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000673353599 1081027878 /nfs/dbraw/zinc/02/78/78/1081027878.db2.gz FZUPOCYSUNIBSA-CRAIPNDOSA-N 0 3 401.511 0.850 20 0 HCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000673353601 1081027802 /nfs/dbraw/zinc/02/78/02/1081027802.db2.gz FZUPOCYSUNIBSA-MAUKXSAKSA-N 0 3 401.511 0.850 20 0 HCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000673353603 1081027861 /nfs/dbraw/zinc/02/78/61/1081027861.db2.gz FZUPOCYSUNIBSA-QAPCUYQASA-N 0 3 401.511 0.850 20 0 HCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000673353604 1081027954 /nfs/dbraw/zinc/02/79/54/1081027954.db2.gz FZUPOCYSUNIBSA-YJBOKZPZSA-N 0 3 401.511 0.850 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673361373 1081037205 /nfs/dbraw/zinc/03/72/05/1081037205.db2.gz YWRMQLDYYIZZAT-MSOLQXFVSA-N 0 3 408.543 0.463 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673361374 1081037086 /nfs/dbraw/zinc/03/70/86/1081037086.db2.gz YWRMQLDYYIZZAT-QZTJIDSGSA-N 0 3 408.543 0.463 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673361375 1081037285 /nfs/dbraw/zinc/03/72/85/1081037285.db2.gz YWRMQLDYYIZZAT-ROUUACIJSA-N 0 3 408.543 0.463 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673361376 1081037388 /nfs/dbraw/zinc/03/73/88/1081037388.db2.gz YWRMQLDYYIZZAT-ZWKOTPCHSA-N 0 3 408.543 0.463 20 0 HCADHN CCCNc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000673362994 1081038017 /nfs/dbraw/zinc/03/80/17/1081038017.db2.gz AHYHHRHCFHTUKL-UHFFFAOYSA-N 0 3 415.538 0.891 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000673363552 1081034645 /nfs/dbraw/zinc/03/46/45/1081034645.db2.gz GQUYADRUDHDMNY-MOPGFXCFSA-N 0 3 400.523 0.937 20 0 HCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000673363553 1081034868 /nfs/dbraw/zinc/03/48/68/1081034868.db2.gz GQUYADRUDHDMNY-OALUTQOASA-N 0 3 400.523 0.937 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000673363554 1081034832 /nfs/dbraw/zinc/03/48/32/1081034832.db2.gz GQUYADRUDHDMNY-RBUKOAKNSA-N 0 3 400.523 0.937 20 0 HCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000673363555 1081034750 /nfs/dbraw/zinc/03/47/50/1081034750.db2.gz GQUYADRUDHDMNY-RTBURBONSA-N 0 3 400.523 0.937 20 0 HCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000673395334 1081055205 /nfs/dbraw/zinc/05/52/05/1081055205.db2.gz SMVPAARLPMKWPP-UHFFFAOYSA-N 0 3 412.450 0.409 20 0 HCADHN COCCC1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCCC1 ZINC000673410874 1081062136 /nfs/dbraw/zinc/06/21/36/1081062136.db2.gz RJUVBVAHACXFJY-UHFFFAOYSA-N 0 3 422.570 0.856 20 0 HCADHN CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000673437543 1081100148 /nfs/dbraw/zinc/10/01/48/1081100148.db2.gz BWJIWAZWFDLJBR-CABCVRRESA-N 0 3 408.524 0.630 20 0 HCADHN CC[C@H]1CN(C)CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000673437549 1081100136 /nfs/dbraw/zinc/10/01/36/1081100136.db2.gz BWJIWAZWFDLJBR-GJZGRUSLSA-N 0 3 408.524 0.630 20 0 HCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000673437552 1081100423 /nfs/dbraw/zinc/10/04/23/1081100423.db2.gz BWJIWAZWFDLJBR-HUUCEWRRSA-N 0 3 408.524 0.630 20 0 HCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000673437554 1081100645 /nfs/dbraw/zinc/10/06/45/1081100645.db2.gz BWJIWAZWFDLJBR-LSDHHAIUSA-N 0 3 408.524 0.630 20 0 HCADHN CN1CC[C@H](NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000673454037 1081134442 /nfs/dbraw/zinc/13/44/42/1081134442.db2.gz YMCTXXFRRMQLEQ-PMACEKPBSA-N 0 3 400.523 0.871 20 0 HCADHN CN1CC[C@@H](NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000673454038 1081133852 /nfs/dbraw/zinc/13/38/52/1081133852.db2.gz YMCTXXFRRMQLEQ-UXHICEINSA-N 0 3 400.523 0.871 20 0 HCADHN CN1CC[C@H](NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)[C@H]1c1ccccc1 ZINC000673454039 1081134493 /nfs/dbraw/zinc/13/44/93/1081134493.db2.gz YMCTXXFRRMQLEQ-VQTJNVASSA-N 0 3 400.523 0.871 20 0 HCADHN CN1CC[C@@H](NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)[C@H]1c1ccccc1 ZINC000673454040 1081134371 /nfs/dbraw/zinc/13/43/71/1081134371.db2.gz YMCTXXFRRMQLEQ-WOJBJXKFSA-N 0 3 400.523 0.871 20 0 HCADHN NS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC1 ZINC000673462288 1081143294 /nfs/dbraw/zinc/14/32/94/1081143294.db2.gz DPTLJUOAGWVMAQ-UHFFFAOYSA-N 0 3 403.508 0.799 20 0 HCADHN CC(C)(C)[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000673469733 1081149778 /nfs/dbraw/zinc/14/97/78/1081149778.db2.gz RRVYTFARKSTMLO-DLBZAZTESA-N 0 3 408.543 0.463 20 0 HCADHN CC(C)(C)[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000673469735 1081150059 /nfs/dbraw/zinc/15/00/59/1081150059.db2.gz RRVYTFARKSTMLO-IAGOWNOFSA-N 0 3 408.543 0.463 20 0 HCADHN CC(C)(C)[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000673469737 1081149956 /nfs/dbraw/zinc/14/99/56/1081149956.db2.gz RRVYTFARKSTMLO-IRXDYDNUSA-N 0 3 408.543 0.463 20 0 HCADHN CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000673469739 1081149811 /nfs/dbraw/zinc/14/98/11/1081149811.db2.gz RRVYTFARKSTMLO-SJORKVTESA-N 0 3 408.543 0.463 20 0 HCADHN CN(CC(=O)NC[C@]1(O)CN2CCC1CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673485664 1081171085 /nfs/dbraw/zinc/17/10/85/1081171085.db2.gz NTJGJVIDULRIHW-KRWDZBQOSA-N 0 3 401.916 0.533 20 0 HCADHN CN(CC(=O)NC[C@@]1(O)CN2CCC1CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673485665 1081171149 /nfs/dbraw/zinc/17/11/49/1081171149.db2.gz NTJGJVIDULRIHW-QGZVFWFLSA-N 0 3 401.916 0.533 20 0 HCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000673489373 1081169843 /nfs/dbraw/zinc/16/98/43/1081169843.db2.gz YAXNDLBWLBUMQI-CYBMUJFWSA-N 0 3 413.548 0.394 20 0 HCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000673489374 1081169808 /nfs/dbraw/zinc/16/98/08/1081169808.db2.gz YAXNDLBWLBUMQI-ZDUSSCGKSA-N 0 3 413.548 0.394 20 0 HCADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000673497289 1081176117 /nfs/dbraw/zinc/17/61/17/1081176117.db2.gz BLERRSRLFQAWQM-CYBMUJFWSA-N 0 3 416.552 0.169 20 0 HCADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000673497290 1081176065 /nfs/dbraw/zinc/17/60/65/1081176065.db2.gz BLERRSRLFQAWQM-ZDUSSCGKSA-N 0 3 416.552 0.169 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)N1CCC[C@@H](C)C1 ZINC000673501717 1081186984 /nfs/dbraw/zinc/18/69/84/1081186984.db2.gz HCCGIIIRXXCPTL-BRWVUGGUSA-N 0 3 418.542 0.264 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)N1CCC[C@@H](C)C1 ZINC000673501723 1081186704 /nfs/dbraw/zinc/18/67/04/1081186704.db2.gz HCCGIIIRXXCPTL-IKGGRYGDSA-N 0 3 418.542 0.264 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)N1CCC[C@@H](C)C1 ZINC000673501725 1081186902 /nfs/dbraw/zinc/18/69/02/1081186902.db2.gz HCCGIIIRXXCPTL-IXDOHACOSA-N 0 3 418.542 0.264 20 0 HCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)N1CCC[C@@H](C)C1 ZINC000673501727 1081186782 /nfs/dbraw/zinc/18/67/82/1081186782.db2.gz HCCGIIIRXXCPTL-ZACQAIPSSA-N 0 3 418.542 0.264 20 0 HCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)cc(C(C)C)nc21 ZINC000673511435 1081195332 /nfs/dbraw/zinc/19/53/32/1081195332.db2.gz RSUWYOZQQFMDRE-KBPBESRZSA-N 0 3 415.494 0.922 20 0 HCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)cc(C(C)C)nc21 ZINC000673511436 1081195414 /nfs/dbraw/zinc/19/54/14/1081195414.db2.gz RSUWYOZQQFMDRE-KGLIPLIRSA-N 0 3 415.494 0.922 20 0 HCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)cc(C(C)C)nc21 ZINC000673511437 1081195271 /nfs/dbraw/zinc/19/52/71/1081195271.db2.gz RSUWYOZQQFMDRE-UONOGXRCSA-N 0 3 415.494 0.922 20 0 HCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)cc(C(C)C)nc21 ZINC000673511438 1081197007 /nfs/dbraw/zinc/19/70/07/1081197007.db2.gz RSUWYOZQQFMDRE-ZIAGYGMSSA-N 0 3 415.494 0.922 20 0 HCADHN COc1cccc(C[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)n2nnnc2C)c1 ZINC000673511544 1081197505 /nfs/dbraw/zinc/19/75/05/1081197505.db2.gz SZSWILMVJLTIGR-JENIJYKNSA-N 0 3 400.483 0.441 20 0 HCADHN COc1cccc(C[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)n2nnnc2C)c1 ZINC000673511548 1081197726 /nfs/dbraw/zinc/19/77/26/1081197726.db2.gz SZSWILMVJLTIGR-YQVWRLOYSA-N 0 3 400.483 0.441 20 0 HCADHN COc1cccc(C[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)n2nnnc2C)c1 ZINC000673511550 1081197554 /nfs/dbraw/zinc/19/75/54/1081197554.db2.gz SZSWILMVJLTIGR-ZHALLVOQSA-N 0 3 400.483 0.441 20 0 HCADHN COc1cccc(C[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)n2nnnc2C)c1 ZINC000673511551 1081197791 /nfs/dbraw/zinc/19/77/91/1081197791.db2.gz SZSWILMVJLTIGR-ZIFCJYIRSA-N 0 3 400.483 0.441 20 0 HCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673511577 1081198502 /nfs/dbraw/zinc/19/85/02/1081198502.db2.gz UIBYSLLRZAZCEU-AEGPPILISA-N 0 3 401.916 0.674 20 0 HCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673511579 1081198411 /nfs/dbraw/zinc/19/84/11/1081198411.db2.gz UIBYSLLRZAZCEU-CFVMTHIKSA-N 0 3 401.916 0.674 20 0 HCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673511581 1081198651 /nfs/dbraw/zinc/19/86/51/1081198651.db2.gz UIBYSLLRZAZCEU-NWANDNLSSA-N 0 3 401.916 0.674 20 0 HCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673511583 1081198462 /nfs/dbraw/zinc/19/84/62/1081198462.db2.gz UIBYSLLRZAZCEU-QEJZJMRPSA-N 0 3 401.916 0.674 20 0 HCADHN Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000673511775 1081197568 /nfs/dbraw/zinc/19/75/68/1081197568.db2.gz BLTSOSYFCUDTHD-MSOLQXFVSA-N 0 3 423.535 0.297 20 0 HCADHN Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000673511780 1081197992 /nfs/dbraw/zinc/19/79/92/1081197992.db2.gz BLTSOSYFCUDTHD-QZTJIDSGSA-N 0 3 423.535 0.297 20 0 HCADHN Cc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000673511782 1081197536 /nfs/dbraw/zinc/19/75/36/1081197536.db2.gz BLTSOSYFCUDTHD-ROUUACIJSA-N 0 3 423.535 0.297 20 0 HCADHN Cc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000673511784 1081197942 /nfs/dbraw/zinc/19/79/42/1081197942.db2.gz BLTSOSYFCUDTHD-ZWKOTPCHSA-N 0 3 423.535 0.297 20 0 HCADHN O=C(c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673511884 1081197661 /nfs/dbraw/zinc/19/76/61/1081197661.db2.gz FNAPIUBIYXGGOE-BBWFWOEESA-N 0 3 413.474 0.743 20 0 HCADHN O=C(c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673511887 1081197593 /nfs/dbraw/zinc/19/75/93/1081197593.db2.gz FNAPIUBIYXGGOE-IKGGRYGDSA-N 0 3 413.474 0.743 20 0 HCADHN O=C(c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673511888 1081198053 /nfs/dbraw/zinc/19/80/53/1081198053.db2.gz FNAPIUBIYXGGOE-ULQDDVLXSA-N 0 3 413.474 0.743 20 0 HCADHN O=C(c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673511889 1081197629 /nfs/dbraw/zinc/19/76/29/1081197629.db2.gz FNAPIUBIYXGGOE-ZACQAIPSSA-N 0 3 413.474 0.743 20 0 HCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673512280 1081196794 /nfs/dbraw/zinc/19/67/94/1081196794.db2.gz BVCJREQXDAYKHI-KBPBESRZSA-N 0 3 424.295 0.842 20 0 HCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673512284 1081196717 /nfs/dbraw/zinc/19/67/17/1081196717.db2.gz BVCJREQXDAYKHI-KGLIPLIRSA-N 0 3 424.295 0.842 20 0 HCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673512286 1081196887 /nfs/dbraw/zinc/19/68/87/1081196887.db2.gz BVCJREQXDAYKHI-UONOGXRCSA-N 0 3 424.295 0.842 20 0 HCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673512289 1081196630 /nfs/dbraw/zinc/19/66/30/1081196630.db2.gz BVCJREQXDAYKHI-ZIAGYGMSSA-N 0 3 424.295 0.842 20 0 HCADHN COc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1S(=O)(=O)NC(C)C ZINC000673512595 1081199383 /nfs/dbraw/zinc/19/93/83/1081199383.db2.gz FMIZGNGZMTZELY-CVEARBPZSA-N 0 3 411.524 0.663 20 0 HCADHN COc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1S(=O)(=O)NC(C)C ZINC000673512596 1081199425 /nfs/dbraw/zinc/19/94/25/1081199425.db2.gz FMIZGNGZMTZELY-HOTGVXAUSA-N 0 3 411.524 0.663 20 0 HCADHN COc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1S(=O)(=O)NC(C)C ZINC000673512597 1081199491 /nfs/dbraw/zinc/19/94/91/1081199491.db2.gz FMIZGNGZMTZELY-HZPDHXFCSA-N 0 3 411.524 0.663 20 0 HCADHN COc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1S(=O)(=O)NC(C)C ZINC000673512598 1081199316 /nfs/dbraw/zinc/19/93/16/1081199316.db2.gz FMIZGNGZMTZELY-JKSUJKDBSA-N 0 3 411.524 0.663 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673513101 1081198390 /nfs/dbraw/zinc/19/83/90/1081198390.db2.gz PPJBVPUWSMQBEU-DLBZAZTESA-N 0 3 409.508 0.225 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673513103 1081198763 /nfs/dbraw/zinc/19/87/63/1081198763.db2.gz PPJBVPUWSMQBEU-IAGOWNOFSA-N 0 3 409.508 0.225 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000673513105 1081199454 /nfs/dbraw/zinc/19/94/54/1081199454.db2.gz PPJBVPUWSMQBEU-IRXDYDNUSA-N 0 3 409.508 0.225 20 0 HCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000673513107 1081199420 /nfs/dbraw/zinc/19/94/20/1081199420.db2.gz PPJBVPUWSMQBEU-SJORKVTESA-N 0 3 409.508 0.225 20 0 HCADHN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673513339 1081198525 /nfs/dbraw/zinc/19/85/25/1081198525.db2.gz ISKFDCLRNRNMRF-PONJGIIJSA-N 0 3 412.490 0.653 20 0 HCADHN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673513342 1081198790 /nfs/dbraw/zinc/19/87/90/1081198790.db2.gz ISKFDCLRNRNMRF-WJONJSRFSA-N 0 3 412.490 0.653 20 0 HCADHN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673513344 1081198480 /nfs/dbraw/zinc/19/84/80/1081198480.db2.gz ISKFDCLRNRNMRF-XCGNWRKASA-N 0 3 412.490 0.653 20 0 HCADHN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673513346 1081198608 /nfs/dbraw/zinc/19/86/08/1081198608.db2.gz ISKFDCLRNRNMRF-ZMPRRUGASA-N 0 3 412.490 0.653 20 0 HCADHN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673513671 1081204312 /nfs/dbraw/zinc/20/43/12/1081204312.db2.gz NVCVTYNDEOLVAV-KBPBESRZSA-N 0 3 421.441 0.651 20 0 HCADHN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673513672 1081204181 /nfs/dbraw/zinc/20/41/81/1081204181.db2.gz NVCVTYNDEOLVAV-KGLIPLIRSA-N 0 3 421.441 0.651 20 0 HCADHN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673513673 1081204454 /nfs/dbraw/zinc/20/44/54/1081204454.db2.gz NVCVTYNDEOLVAV-UONOGXRCSA-N 0 3 421.441 0.651 20 0 HCADHN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673513674 1081204393 /nfs/dbraw/zinc/20/43/93/1081204393.db2.gz NVCVTYNDEOLVAV-ZIAGYGMSSA-N 0 3 421.441 0.651 20 0 HCADHN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673514549 1081205676 /nfs/dbraw/zinc/20/56/76/1081205676.db2.gz QYDPBRMSLMSAGV-DJIMGWMZSA-N 0 3 401.463 0.478 20 0 HCADHN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673514552 1081205467 /nfs/dbraw/zinc/20/54/67/1081205467.db2.gz QYDPBRMSLMSAGV-HYVNUMGLSA-N 0 3 401.463 0.478 20 0 HCADHN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673514554 1081205795 /nfs/dbraw/zinc/20/57/95/1081205795.db2.gz QYDPBRMSLMSAGV-OIISXLGYSA-N 0 3 401.463 0.478 20 0 HCADHN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673514555 1081205626 /nfs/dbraw/zinc/20/56/26/1081205626.db2.gz QYDPBRMSLMSAGV-PVAVHDDUSA-N 0 3 401.463 0.478 20 0 HCADHN CN(CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673515470 1081205409 /nfs/dbraw/zinc/20/54/09/1081205409.db2.gz MZIZBDXRFKUPLY-CABCVRRESA-N 0 3 401.916 0.628 20 0 HCADHN CN(CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673515472 1081205725 /nfs/dbraw/zinc/20/57/25/1081205725.db2.gz MZIZBDXRFKUPLY-GJZGRUSLSA-N 0 3 401.916 0.628 20 0 HCADHN CN(CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673515474 1081205551 /nfs/dbraw/zinc/20/55/51/1081205551.db2.gz MZIZBDXRFKUPLY-HUUCEWRRSA-N 0 3 401.916 0.628 20 0 HCADHN CN(CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673515478 1081205754 /nfs/dbraw/zinc/20/57/54/1081205754.db2.gz MZIZBDXRFKUPLY-LSDHHAIUSA-N 0 3 401.916 0.628 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673515739 1081206226 /nfs/dbraw/zinc/20/62/26/1081206226.db2.gz ZKDJSWRMTUKWAY-DLBZAZTESA-N 0 3 409.508 0.225 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673515740 1081206675 /nfs/dbraw/zinc/20/66/75/1081206675.db2.gz ZKDJSWRMTUKWAY-IAGOWNOFSA-N 0 3 409.508 0.225 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673515741 1081206156 /nfs/dbraw/zinc/20/61/56/1081206156.db2.gz ZKDJSWRMTUKWAY-IRXDYDNUSA-N 0 3 409.508 0.225 20 0 HCADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673515742 1081207297 /nfs/dbraw/zinc/20/72/97/1081207297.db2.gz ZKDJSWRMTUKWAY-SJORKVTESA-N 0 3 409.508 0.225 20 0 HCADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673515970 1081206623 /nfs/dbraw/zinc/20/66/23/1081206623.db2.gz FJQKPUOMVUHKJQ-MSOLQXFVSA-N 0 3 401.511 0.178 20 0 HCADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673515973 1081206295 /nfs/dbraw/zinc/20/62/95/1081206295.db2.gz FJQKPUOMVUHKJQ-QZTJIDSGSA-N 0 3 401.511 0.178 20 0 HCADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673515977 1081206557 /nfs/dbraw/zinc/20/65/57/1081206557.db2.gz FJQKPUOMVUHKJQ-ROUUACIJSA-N 0 3 401.511 0.178 20 0 HCADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673515980 1081206425 /nfs/dbraw/zinc/20/64/25/1081206425.db2.gz FJQKPUOMVUHKJQ-ZWKOTPCHSA-N 0 3 401.511 0.178 20 0 HCADHN O=C([C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673516659 1081201292 /nfs/dbraw/zinc/20/12/92/1081201292.db2.gz SAMLVSUFSVYISO-CIRFHOKZSA-N 0 3 407.511 0.636 20 0 HCADHN O=C([C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673516690 1081200930 /nfs/dbraw/zinc/20/09/30/1081200930.db2.gz SAMLVSUFSVYISO-LAQRGFTBSA-N 0 3 407.511 0.636 20 0 HCADHN O=C([C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673516693 1081202248 /nfs/dbraw/zinc/20/22/48/1081202248.db2.gz SAMLVSUFSVYISO-MVJTYMMSSA-N 0 3 407.511 0.636 20 0 HCADHN O=C([C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673516696 1081202397 /nfs/dbraw/zinc/20/23/97/1081202397.db2.gz SAMLVSUFSVYISO-UOVPBQLFSA-N 0 3 407.511 0.636 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000673516843 1081201056 /nfs/dbraw/zinc/20/10/56/1081201056.db2.gz KBLKBVFTLRTZBD-CVEARBPZSA-N 0 3 411.524 0.201 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000673516858 1081201483 /nfs/dbraw/zinc/20/14/83/1081201483.db2.gz KBLKBVFTLRTZBD-HOTGVXAUSA-N 0 3 411.524 0.201 20 0 HCADHN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673516860 1081201448 /nfs/dbraw/zinc/20/14/48/1081201448.db2.gz QLDDQBWMFHKZSD-CABCVRRESA-N 0 3 413.565 0.743 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673516862 1081201142 /nfs/dbraw/zinc/20/11/42/1081201142.db2.gz KBLKBVFTLRTZBD-HZPDHXFCSA-N 0 3 411.524 0.201 20 0 HCADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673516868 1081201213 /nfs/dbraw/zinc/20/12/13/1081201213.db2.gz KBLKBVFTLRTZBD-JKSUJKDBSA-N 0 3 411.524 0.201 20 0 HCADHN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673516877 1081201345 /nfs/dbraw/zinc/20/13/45/1081201345.db2.gz QLDDQBWMFHKZSD-GJZGRUSLSA-N 0 3 413.565 0.743 20 0 HCADHN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673516880 1081201396 /nfs/dbraw/zinc/20/13/96/1081201396.db2.gz QLDDQBWMFHKZSD-HUUCEWRRSA-N 0 3 413.565 0.743 20 0 HCADHN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673516883 1081201619 /nfs/dbraw/zinc/20/16/19/1081201619.db2.gz QLDDQBWMFHKZSD-LSDHHAIUSA-N 0 3 413.565 0.743 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)s1 ZINC000673517274 1081207088 /nfs/dbraw/zinc/20/70/88/1081207088.db2.gz SRURGHNNLCFLRS-ARFHVFGLSA-N 0 3 413.565 0.877 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)s1 ZINC000673517276 1081200531 /nfs/dbraw/zinc/20/05/31/1081200531.db2.gz SRURGHNNLCFLRS-BZUAXINKSA-N 0 3 413.565 0.877 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)s1 ZINC000673517279 1081200139 /nfs/dbraw/zinc/20/01/39/1081200139.db2.gz SRURGHNNLCFLRS-HRCADAONSA-N 0 3 413.565 0.877 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)s1 ZINC000673517282 1081200346 /nfs/dbraw/zinc/20/03/46/1081200346.db2.gz SRURGHNNLCFLRS-OWCLPIDISA-N 0 3 413.565 0.877 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673518055 1081201901 /nfs/dbraw/zinc/20/19/01/1081201901.db2.gz ZAFHKUHQYPWKPP-DAYGRLMNSA-N 0 3 413.515 0.796 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673518056 1081202194 /nfs/dbraw/zinc/20/21/94/1081202194.db2.gz ZAFHKUHQYPWKPP-MPGHIAIKSA-N 0 3 413.515 0.796 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673518057 1081202476 /nfs/dbraw/zinc/20/24/76/1081202476.db2.gz ZAFHKUHQYPWKPP-RKVPGOIHSA-N 0 3 413.515 0.796 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673518058 1081201995 /nfs/dbraw/zinc/20/19/95/1081201995.db2.gz ZAFHKUHQYPWKPP-VKJFTORMSA-N 0 3 413.515 0.796 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[n-]1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673518746 1081203529 /nfs/dbraw/zinc/20/35/29/1081203529.db2.gz JORMEELRYTWSAD-KBPBESRZSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[n-]1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518746 1081203523 /nfs/dbraw/zinc/20/35/23/1081203523.db2.gz JORMEELRYTWSAD-KBPBESRZSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673518746 1081203511 /nfs/dbraw/zinc/20/35/11/1081203511.db2.gz JORMEELRYTWSAD-KBPBESRZSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[n-]1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673518747 1081203696 /nfs/dbraw/zinc/20/36/96/1081203696.db2.gz JORMEELRYTWSAD-KGLIPLIRSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[n-]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518747 1081203693 /nfs/dbraw/zinc/20/36/93/1081203693.db2.gz JORMEELRYTWSAD-KGLIPLIRSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673518747 1081203688 /nfs/dbraw/zinc/20/36/88/1081203688.db2.gz JORMEELRYTWSAD-KGLIPLIRSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[n-]1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673518748 1081203439 /nfs/dbraw/zinc/20/34/39/1081203439.db2.gz JORMEELRYTWSAD-UONOGXRCSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[n-]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518748 1081203430 /nfs/dbraw/zinc/20/34/30/1081203430.db2.gz JORMEELRYTWSAD-UONOGXRCSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673518748 1081203417 /nfs/dbraw/zinc/20/34/17/1081203417.db2.gz JORMEELRYTWSAD-UONOGXRCSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[n-]1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673518749 1081203643 /nfs/dbraw/zinc/20/36/43/1081203643.db2.gz JORMEELRYTWSAD-ZIAGYGMSSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[n-]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518749 1081203635 /nfs/dbraw/zinc/20/36/35/1081203635.db2.gz JORMEELRYTWSAD-ZIAGYGMSSA-N 0 3 414.553 0.033 20 0 HCADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673518749 1081203629 /nfs/dbraw/zinc/20/36/29/1081203629.db2.gz JORMEELRYTWSAD-ZIAGYGMSSA-N 0 3 414.553 0.033 20 0 HCADHN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673518864 1081203110 /nfs/dbraw/zinc/20/31/10/1081203110.db2.gz NQYRFQUNPHTBMH-AOIWGVFYSA-N 0 3 407.536 0.897 20 0 HCADHN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673518865 1081202875 /nfs/dbraw/zinc/20/28/75/1081202875.db2.gz NQYRFQUNPHTBMH-LMMKCTJWSA-N 0 3 407.536 0.897 20 0 HCADHN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673518866 1081202799 /nfs/dbraw/zinc/20/27/99/1081202799.db2.gz NQYRFQUNPHTBMH-LNLFQRSKSA-N 0 3 407.536 0.897 20 0 HCADHN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673518867 1081203024 /nfs/dbraw/zinc/20/30/24/1081203024.db2.gz NQYRFQUNPHTBMH-SCTDSRPQSA-N 0 3 407.536 0.897 20 0 HCADHN O=C(COc1ccccc1)N1CCC(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CC1 ZINC000673518918 1081202912 /nfs/dbraw/zinc/20/29/12/1081202912.db2.gz POAPSOHKPFZREZ-MOPGFXCFSA-N 0 3 401.507 0.972 20 0 HCADHN O=C(COc1ccccc1)N1CCC(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CC1 ZINC000673518919 1081203736 /nfs/dbraw/zinc/20/37/36/1081203736.db2.gz POAPSOHKPFZREZ-OALUTQOASA-N 0 3 401.507 0.972 20 0 HCADHN O=C(COc1ccccc1)N1CCC(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CC1 ZINC000673518920 1081203561 /nfs/dbraw/zinc/20/35/61/1081203561.db2.gz POAPSOHKPFZREZ-RBUKOAKNSA-N 0 3 401.507 0.972 20 0 HCADHN O=C(COc1ccccc1)N1CCC(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CC1 ZINC000673518921 1081203769 /nfs/dbraw/zinc/20/37/69/1081203769.db2.gz POAPSOHKPFZREZ-RTBURBONSA-N 0 3 401.507 0.972 20 0 HCADHN CN(CCCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000673519126 1081202100 /nfs/dbraw/zinc/20/21/00/1081202100.db2.gz YHIFGMAQJFWGHA-DLBZAZTESA-N 0 3 413.515 0.894 20 0 HCADHN CN(CCCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000673519127 1081202509 /nfs/dbraw/zinc/20/25/09/1081202509.db2.gz YHIFGMAQJFWGHA-IAGOWNOFSA-N 0 3 413.515 0.894 20 0 HCADHN CN(CCCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000673519128 1081202042 /nfs/dbraw/zinc/20/20/42/1081202042.db2.gz YHIFGMAQJFWGHA-IRXDYDNUSA-N 0 3 413.515 0.894 20 0 HCADHN CN(CCCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000673519129 1081202322 /nfs/dbraw/zinc/20/23/22/1081202322.db2.gz YHIFGMAQJFWGHA-SJORKVTESA-N 0 3 413.515 0.894 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](CO)CN(C)C ZINC000673519825 1081204362 /nfs/dbraw/zinc/20/43/62/1081204362.db2.gz CKIBZDOBBOKDKG-HNNXBMFYSA-N 0 3 413.540 0.912 20 0 HCADHN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](CO)CN(C)C ZINC000673519826 1081204489 /nfs/dbraw/zinc/20/44/89/1081204489.db2.gz CKIBZDOBBOKDKG-OAHLLOKOSA-N 0 3 413.540 0.912 20 0 HCADHN CN(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000673520369 1081203829 /nfs/dbraw/zinc/20/38/29/1081203829.db2.gz HZTZAKDGMKDASZ-AWEZNQCLSA-N 0 3 405.467 0.404 20 0 HCADHN CN(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000673520371 1081203460 /nfs/dbraw/zinc/20/34/60/1081203460.db2.gz HZTZAKDGMKDASZ-CQSZACIVSA-N 0 3 405.467 0.404 20 0 HCADHN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[C@@H](CO)CN(C)C)c2c1 ZINC000673520706 1081210497 /nfs/dbraw/zinc/21/04/97/1081210497.db2.gz HAWFIKBNKXYUQQ-CYBMUJFWSA-N 0 3 424.523 0.623 20 0 HCADHN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[C@H](CO)CN(C)C)c2c1 ZINC000673520708 1081210603 /nfs/dbraw/zinc/21/06/03/1081210603.db2.gz HAWFIKBNKXYUQQ-ZDUSSCGKSA-N 0 3 424.523 0.623 20 0 HCADHN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](CO)CN(C)C)cc(C(C)C)nc21 ZINC000673520833 1081204251 /nfs/dbraw/zinc/20/42/51/1081204251.db2.gz LWFNXXMNVRWMLE-CYBMUJFWSA-N 0 3 405.499 0.929 20 0 HCADHN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](CO)CN(C)C)cc(C(C)C)nc21 ZINC000673520837 1081210711 /nfs/dbraw/zinc/21/07/11/1081210711.db2.gz LWFNXXMNVRWMLE-ZDUSSCGKSA-N 0 3 405.499 0.929 20 0 HCADHN CN(C)C[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000673521026 1081204431 /nfs/dbraw/zinc/20/44/31/1081204431.db2.gz OBYJKLAFAGWOHU-GFCCVEGCSA-N 0 3 408.318 0.108 20 0 HCADHN CN(C)C[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000673521028 1081204524 /nfs/dbraw/zinc/20/45/24/1081204524.db2.gz OBYJKLAFAGWOHU-LBPRGKRZSA-N 0 3 408.318 0.108 20 0 HCADHN CN(C)C[C@H](CO)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000673521853 1081207020 /nfs/dbraw/zinc/20/70/20/1081207020.db2.gz NITIWEYZEVSKTB-GFCCVEGCSA-N 0 3 412.284 0.864 20 0 HCADHN CN(C)C[C@@H](CO)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000673521856 1081207181 /nfs/dbraw/zinc/20/71/81/1081207181.db2.gz NITIWEYZEVSKTB-LBPRGKRZSA-N 0 3 412.284 0.864 20 0 HCADHN CN(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000673522704 1081208250 /nfs/dbraw/zinc/20/82/50/1081208250.db2.gz WTRNRPZJWFHLCK-CYBMUJFWSA-N 0 3 421.922 0.919 20 0 HCADHN CN(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000673522709 1081208267 /nfs/dbraw/zinc/20/82/67/1081208267.db2.gz WTRNRPZJWFHLCK-ZDUSSCGKSA-N 0 3 421.922 0.919 20 0 HCADHN COc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000673522984 1081207669 /nfs/dbraw/zinc/20/76/69/1081207669.db2.gz YRAWEFHVBPZYNX-INIZCTEOSA-N 0 3 413.540 0.912 20 0 HCADHN COc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000673522990 1081208159 /nfs/dbraw/zinc/20/81/59/1081208159.db2.gz YRAWEFHVBPZYNX-MRXNPFEDSA-N 0 3 413.540 0.912 20 0 HCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673529667 1081214617 /nfs/dbraw/zinc/21/46/17/1081214617.db2.gz ASSVGNJDKILYHO-CRAIPNDOSA-N 0 3 415.494 0.109 20 0 HCADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673529668 1081214727 /nfs/dbraw/zinc/21/47/27/1081214727.db2.gz ASSVGNJDKILYHO-MAUKXSAKSA-N 0 3 415.494 0.109 20 0 HCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673529669 1081214517 /nfs/dbraw/zinc/21/45/17/1081214517.db2.gz ASSVGNJDKILYHO-QAPCUYQASA-N 0 3 415.494 0.109 20 0 HCADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673529671 1081214668 /nfs/dbraw/zinc/21/46/68/1081214668.db2.gz ASSVGNJDKILYHO-YJBOKZPZSA-N 0 3 415.494 0.109 20 0 HCADHN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H](CO)CN1CCCC1 ZINC000673529923 1081213857 /nfs/dbraw/zinc/21/38/57/1081213857.db2.gz FUYOHGWWWUFIES-CYBMUJFWSA-N 0 3 409.430 0.557 20 0 HCADHN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@H](CO)CN1CCCC1 ZINC000673529931 1081214012 /nfs/dbraw/zinc/21/40/12/1081214012.db2.gz FUYOHGWWWUFIES-ZDUSSCGKSA-N 0 3 409.430 0.557 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)CN3CCCC3)CC2)cc1 ZINC000673530463 1081211296 /nfs/dbraw/zinc/21/12/96/1081211296.db2.gz IPQAQJVYBCDGCG-GOSISDBHSA-N 0 3 409.552 0.969 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)CN3CCCC3)CC2)cc1 ZINC000673530465 1081211538 /nfs/dbraw/zinc/21/15/38/1081211538.db2.gz IPQAQJVYBCDGCG-SFHVURJKSA-N 0 3 409.552 0.969 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CN2CCCC2)s1 ZINC000673530799 1081214752 /nfs/dbraw/zinc/21/47/52/1081214752.db2.gz ITJKKLBKUBMHDP-CABCVRRESA-N 0 3 401.554 0.783 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CN2CCCC2)s1 ZINC000673530802 1081214806 /nfs/dbraw/zinc/21/48/06/1081214806.db2.gz ITJKKLBKUBMHDP-GJZGRUSLSA-N 0 3 401.554 0.783 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](CO)CN2CCCC2)s1 ZINC000673530803 1081215324 /nfs/dbraw/zinc/21/53/24/1081215324.db2.gz ITJKKLBKUBMHDP-HUUCEWRRSA-N 0 3 401.554 0.783 20 0 HCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](CO)CN2CCCC2)s1 ZINC000673530805 1081215116 /nfs/dbraw/zinc/21/51/16/1081215116.db2.gz ITJKKLBKUBMHDP-LSDHHAIUSA-N 0 3 401.554 0.783 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC000673531170 1081214554 /nfs/dbraw/zinc/21/45/54/1081214554.db2.gz KOZOKNMCEDZANM-INIZCTEOSA-N 0 3 414.528 0.265 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000673531171 1081214702 /nfs/dbraw/zinc/21/47/02/1081214702.db2.gz KOZOKNMCEDZANM-MRXNPFEDSA-N 0 3 414.528 0.265 20 0 HCADHN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000673531416 1081214489 /nfs/dbraw/zinc/21/44/89/1081214489.db2.gz UOKMRRMFLCEMGF-INIZCTEOSA-N 0 3 418.523 0.732 20 0 HCADHN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000673531417 1081214778 /nfs/dbraw/zinc/21/47/78/1081214778.db2.gz UOKMRRMFLCEMGF-MRXNPFEDSA-N 0 3 418.523 0.732 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673531501 1081212478 /nfs/dbraw/zinc/21/24/78/1081212478.db2.gz MFRTZYMNKAZGTK-PBHICJAKSA-N 0 3 401.504 0.702 20 0 HCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)CN1CCCC1 ZINC000673531502 1081212805 /nfs/dbraw/zinc/21/28/05/1081212805.db2.gz MFRTZYMNKAZGTK-YOEHRIQHSA-N 0 3 401.504 0.702 20 0 HCADHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000673531701 1081212907 /nfs/dbraw/zinc/21/29/07/1081212907.db2.gz YAYBSKHLDYZSLJ-CVEARBPZSA-N 0 3 401.463 0.648 20 0 HCADHN O=C(N[C@H](CO)CN1CCCC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000673531707 1081212991 /nfs/dbraw/zinc/21/29/91/1081212991.db2.gz YAYBSKHLDYZSLJ-HOTGVXAUSA-N 0 3 401.463 0.648 20 0 HCADHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000673531712 1081212862 /nfs/dbraw/zinc/21/28/62/1081212862.db2.gz YAYBSKHLDYZSLJ-HZPDHXFCSA-N 0 3 401.463 0.648 20 0 HCADHN O=C(N[C@H](CO)CN1CCCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000673531716 1081212633 /nfs/dbraw/zinc/21/26/33/1081212633.db2.gz YAYBSKHLDYZSLJ-JKSUJKDBSA-N 0 3 401.463 0.648 20 0 HCADHN CN(CCCC(=O)N[C@H](CO)CN1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000673532032 1081211995 /nfs/dbraw/zinc/21/19/95/1081211995.db2.gz VWHVJZGQCOATOM-INIZCTEOSA-N 0 3 401.504 0.799 20 0 HCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@@H](CO)CN1CCCC1 ZINC000673532037 1081211975 /nfs/dbraw/zinc/21/19/75/1081211975.db2.gz RQRSRITYPLLZAU-CYBMUJFWSA-N 0 3 412.284 0.747 20 0 HCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@H](CO)CN1CCCC1 ZINC000673532038 1081212034 /nfs/dbraw/zinc/21/20/34/1081212034.db2.gz RQRSRITYPLLZAU-ZDUSSCGKSA-N 0 3 412.284 0.747 20 0 HCADHN CN(CCCC(=O)N[C@@H](CO)CN1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000673532040 1081211955 /nfs/dbraw/zinc/21/19/55/1081211955.db2.gz VWHVJZGQCOATOM-MRXNPFEDSA-N 0 3 401.504 0.799 20 0 HCADHN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@H](CO)CN1CCCC1 ZINC000673532661 1081218676 /nfs/dbraw/zinc/21/86/76/1081218676.db2.gz GKTVSTAAMXWLSA-BTYIYWSLSA-N 0 3 400.479 0.558 20 0 HCADHN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@@H](CO)CN1CCCC1 ZINC000673532662 1081218828 /nfs/dbraw/zinc/21/88/28/1081218828.db2.gz GKTVSTAAMXWLSA-QVKFZJNVSA-N 0 3 400.479 0.558 20 0 HCADHN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@@H](CO)CN1CCCC1 ZINC000673532663 1081218645 /nfs/dbraw/zinc/21/86/45/1081218645.db2.gz GKTVSTAAMXWLSA-VFNWGFHPSA-N 0 3 400.479 0.558 20 0 HCADHN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@H](CO)CN1CCCC1 ZINC000673532666 1081218789 /nfs/dbraw/zinc/21/87/89/1081218789.db2.gz GKTVSTAAMXWLSA-YCRPNKLZSA-N 0 3 400.479 0.558 20 0 HCADHN C[C@@H](C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O)N1CCN(C)CC1 ZINC000673534089 1081218117 /nfs/dbraw/zinc/21/81/17/1081218117.db2.gz QOSNFOHIKRUOMO-KRWDZBQOSA-N 0 3 415.538 0.309 20 0 HCADHN C[C@H](C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O)N1CCN(C)CC1 ZINC000673534090 1081218217 /nfs/dbraw/zinc/21/82/17/1081218217.db2.gz QOSNFOHIKRUOMO-QGZVFWFLSA-N 0 3 415.538 0.309 20 0 HCADHN CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)ccn1 ZINC000673536601 1081227052 /nfs/dbraw/zinc/22/70/52/1081227052.db2.gz VPBXJZLEUIQETM-DOTOQJQBSA-N 0 3 417.510 0.221 20 0 HCADHN CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)ccn1 ZINC000673536602 1081227396 /nfs/dbraw/zinc/22/73/96/1081227396.db2.gz VPBXJZLEUIQETM-NVXWUHKLSA-N 0 3 417.510 0.221 20 0 HCADHN CNC(=O)c1cc(O[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)ccn1 ZINC000673536603 1081227551 /nfs/dbraw/zinc/22/75/51/1081227551.db2.gz VPBXJZLEUIQETM-RDJZCZTQSA-N 0 3 417.510 0.221 20 0 HCADHN CNC(=O)c1cc(O[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)ccn1 ZINC000673536604 1081227577 /nfs/dbraw/zinc/22/75/77/1081227577.db2.gz VPBXJZLEUIQETM-WBVHZDCISA-N 0 3 417.510 0.221 20 0 HCADHN CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000673539072 1081229856 /nfs/dbraw/zinc/22/98/56/1081229856.db2.gz XJWLBDADHWMDSY-HNNXBMFYSA-N 0 3 414.514 0.010 20 0 HCADHN CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000673539074 1081229697 /nfs/dbraw/zinc/22/96/97/1081229697.db2.gz XJWLBDADHWMDSY-OAHLLOKOSA-N 0 3 414.514 0.010 20 0 HCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000673546498 1081255238 /nfs/dbraw/zinc/25/52/38/1081255238.db2.gz ZIZKCJDSXCNFOX-QGZVFWFLSA-N 0 3 411.572 0.383 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccccc2-c2nc(C)no2)CC1=O ZINC000673549499 1081263066 /nfs/dbraw/zinc/26/30/66/1081263066.db2.gz FICMKYUMWVZDLF-HNNXBMFYSA-N 0 3 401.467 0.954 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccccc2-c2nc(C)no2)CC1=O ZINC000673549500 1081262951 /nfs/dbraw/zinc/26/29/51/1081262951.db2.gz FICMKYUMWVZDLF-OAHLLOKOSA-N 0 3 401.467 0.954 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2csc(N3CCCC3=O)n2)CC1=O ZINC000673549501 1081262823 /nfs/dbraw/zinc/26/28/23/1081262823.db2.gz FWAKHCNHUGYMBS-AWEZNQCLSA-N 0 3 423.539 0.108 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2csc(N3CCCC3=O)n2)CC1=O ZINC000673549502 1081262584 /nfs/dbraw/zinc/26/25/84/1081262584.db2.gz FWAKHCNHUGYMBS-CQSZACIVSA-N 0 3 423.539 0.108 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000673549547 1081262523 /nfs/dbraw/zinc/26/25/23/1081262523.db2.gz NNIADUFDIRQNNO-FGTMMUONSA-N 0 3 417.506 0.857 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000673549548 1081263098 /nfs/dbraw/zinc/26/30/98/1081263098.db2.gz NNIADUFDIRQNNO-KURKYZTESA-N 0 3 417.506 0.857 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000673549549 1081262667 /nfs/dbraw/zinc/26/26/67/1081262667.db2.gz NNIADUFDIRQNNO-KZNAEPCWSA-N 0 3 417.506 0.857 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000673549550 1081262786 /nfs/dbraw/zinc/26/27/86/1081262786.db2.gz NNIADUFDIRQNNO-SQNIBIBYSA-N 0 3 417.506 0.857 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1=O ZINC000673549586 1081269690 /nfs/dbraw/zinc/26/96/90/1081269690.db2.gz VVKADGMBQFUGSP-CABCVRRESA-N 0 3 414.572 0.229 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1=O ZINC000673549587 1081270343 /nfs/dbraw/zinc/27/03/43/1081270343.db2.gz VVKADGMBQFUGSP-GJZGRUSLSA-N 0 3 414.572 0.229 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1=O ZINC000673549588 1081270409 /nfs/dbraw/zinc/27/04/09/1081270409.db2.gz VVKADGMBQFUGSP-HUUCEWRRSA-N 0 3 414.572 0.229 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1=O ZINC000673549589 1081270021 /nfs/dbraw/zinc/27/00/21/1081270021.db2.gz VVKADGMBQFUGSP-LSDHHAIUSA-N 0 3 414.572 0.229 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1=O ZINC000673549597 1081270123 /nfs/dbraw/zinc/27/01/23/1081270123.db2.gz WXNYMWPCZFWTET-PBHICJAKSA-N 0 3 404.467 0.072 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@H]2Oc3ccccc3NC2=O)CC1=O ZINC000673549598 1081270638 /nfs/dbraw/zinc/27/06/38/1081270638.db2.gz WXNYMWPCZFWTET-RHSMWYFYSA-N 0 3 404.467 0.072 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@H]2Oc3ccccc3NC2=O)CC1=O ZINC000673549599 1081270163 /nfs/dbraw/zinc/27/01/63/1081270163.db2.gz WXNYMWPCZFWTET-WMLDXEAASA-N 0 3 404.467 0.072 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1=O ZINC000673549600 1081270002 /nfs/dbraw/zinc/27/00/02/1081270002.db2.gz WXNYMWPCZFWTET-YOEHRIQHSA-N 0 3 404.467 0.072 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1=O ZINC000673549621 1081270048 /nfs/dbraw/zinc/27/00/48/1081270048.db2.gz BQPUHCPLLHWEJH-GDBMZVCRSA-N 0 3 406.458 0.547 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1=O ZINC000673549622 1081270254 /nfs/dbraw/zinc/27/02/54/1081270254.db2.gz BQPUHCPLLHWEJH-GOEBONIOSA-N 0 3 406.458 0.547 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1=O ZINC000673549623 1081270582 /nfs/dbraw/zinc/27/05/82/1081270582.db2.gz BQPUHCPLLHWEJH-HOCLYGCPSA-N 0 3 406.458 0.547 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1=O ZINC000673549624 1081270478 /nfs/dbraw/zinc/27/04/78/1081270478.db2.gz BQPUHCPLLHWEJH-ZBFHGGJFSA-N 0 3 406.458 0.547 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccccc2Cn2cncn2)CC1=O ZINC000673549807 1081269748 /nfs/dbraw/zinc/26/97/48/1081269748.db2.gz JQJDYSWBTRWQCW-KRWDZBQOSA-N 0 3 400.483 0.235 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccccc2Cn2cncn2)CC1=O ZINC000673549808 1081269198 /nfs/dbraw/zinc/26/91/98/1081269198.db2.gz JQJDYSWBTRWQCW-QGZVFWFLSA-N 0 3 400.483 0.235 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1=O ZINC000673549811 1081269254 /nfs/dbraw/zinc/26/92/54/1081269254.db2.gz KDPMJZFAFPPQPH-CVEARBPZSA-N 0 3 422.551 0.648 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1=O ZINC000673549812 1081269410 /nfs/dbraw/zinc/26/94/10/1081269410.db2.gz KDPMJZFAFPPQPH-HOTGVXAUSA-N 0 3 422.551 0.648 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)CCn2c3ccccc3n(C)c2=O)CC1=O ZINC000673549813 1081269613 /nfs/dbraw/zinc/26/96/13/1081269613.db2.gz KKCPSEGVCFRQSJ-INIZCTEOSA-N 0 3 417.510 0.025 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)CCn2c3ccccc3n(C)c2=O)CC1=O ZINC000673549814 1081269837 /nfs/dbraw/zinc/26/98/37/1081269837.db2.gz KKCPSEGVCFRQSJ-MRXNPFEDSA-N 0 3 417.510 0.025 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1=O ZINC000673549904 1081268662 /nfs/dbraw/zinc/26/86/62/1081268662.db2.gz VOORHWYROKHTQZ-DLBZAZTESA-N 0 3 420.510 0.570 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1=O ZINC000673549905 1081268211 /nfs/dbraw/zinc/26/82/11/1081268211.db2.gz VOORHWYROKHTQZ-IAGOWNOFSA-N 0 3 420.510 0.570 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1=O ZINC000673549906 1081268537 /nfs/dbraw/zinc/26/85/37/1081268537.db2.gz VOORHWYROKHTQZ-IRXDYDNUSA-N 0 3 420.510 0.570 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1=O ZINC000673549907 1081268909 /nfs/dbraw/zinc/26/89/09/1081268909.db2.gz VOORHWYROKHTQZ-SJORKVTESA-N 0 3 420.510 0.570 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccnc2N2CCCCC2)CC1=O ZINC000673549928 1081268854 /nfs/dbraw/zinc/26/88/54/1081268854.db2.gz YCZRHVKXKGQTTB-KRWDZBQOSA-N 0 3 403.527 0.981 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccnc2N2CCCCC2)CC1=O ZINC000673549929 1081267999 /nfs/dbraw/zinc/26/79/99/1081267999.db2.gz YCZRHVKXKGQTTB-QGZVFWFLSA-N 0 3 403.527 0.981 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)CC1=O ZINC000673549953 1081268393 /nfs/dbraw/zinc/26/83/93/1081268393.db2.gz CCTDMVISPURPII-DLBZAZTESA-N 0 3 410.559 0.709 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)CC1=O ZINC000673549954 1081269129 /nfs/dbraw/zinc/26/91/29/1081269129.db2.gz CCTDMVISPURPII-IAGOWNOFSA-N 0 3 410.559 0.709 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)CC1=O ZINC000673549955 1081269529 /nfs/dbraw/zinc/26/95/29/1081269529.db2.gz CCTDMVISPURPII-IRXDYDNUSA-N 0 3 410.559 0.709 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)CC1=O ZINC000673549956 1081269800 /nfs/dbraw/zinc/26/98/00/1081269800.db2.gz CCTDMVISPURPII-SJORKVTESA-N 0 3 410.559 0.709 20 0 HCADHN CCc1nc2ccccc2n1CC(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000673549986 1081269354 /nfs/dbraw/zinc/26/93/54/1081269354.db2.gz KWHQICIQHYYLEZ-INIZCTEOSA-N 0 3 401.511 0.894 20 0 HCADHN CCc1nc2ccccc2n1CC(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000673549987 1081269564 /nfs/dbraw/zinc/26/95/64/1081269564.db2.gz KWHQICIQHYYLEZ-MRXNPFEDSA-N 0 3 401.511 0.894 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(CN3CCCC3=O)cc2)CC1=O ZINC000673550042 1081268276 /nfs/dbraw/zinc/26/82/76/1081268276.db2.gz WOELNXZJVPJHIX-IBGZPJMESA-N 0 3 416.522 0.718 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(CN3CCCC3=O)cc2)CC1=O ZINC000673550043 1081268796 /nfs/dbraw/zinc/26/87/96/1081268796.db2.gz WOELNXZJVPJHIX-LJQANCHMSA-N 0 3 416.522 0.718 20 0 HCADHN CCc1nc(-c2ccc(C(=O)N[C@H]3CC(=O)N(CCN(C)CCOC)C3)cc2)n[nH]1 ZINC000673550048 1081268337 /nfs/dbraw/zinc/26/83/37/1081268337.db2.gz XHCZIXZAFKQQOO-KRWDZBQOSA-N 0 3 414.510 0.943 20 0 HCADHN CCc1nc(-c2ccc(C(=O)N[C@@H]3CC(=O)N(CCN(C)CCOC)C3)cc2)n[nH]1 ZINC000673550049 1081268742 /nfs/dbraw/zinc/26/87/42/1081268742.db2.gz XHCZIXZAFKQQOO-QGZVFWFLSA-N 0 3 414.510 0.943 20 0 HCADHN CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000673550093 1081268063 /nfs/dbraw/zinc/26/80/63/1081268063.db2.gz FDTFFNXSLMYHNM-HNNXBMFYSA-N 0 3 411.524 0.389 20 0 HCADHN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000673550094 1081268129 /nfs/dbraw/zinc/26/81/29/1081268129.db2.gz FDTFFNXSLMYHNM-OAHLLOKOSA-N 0 3 411.524 0.389 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1=O ZINC000673550196 1081263802 /nfs/dbraw/zinc/26/38/02/1081263802.db2.gz UEQAESAIBDGNOP-CEXWTWQISA-N 0 3 422.570 0.711 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1=O ZINC000673550197 1081263514 /nfs/dbraw/zinc/26/35/14/1081263514.db2.gz UEQAESAIBDGNOP-GUDVDZBRSA-N 0 3 422.570 0.711 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1=O ZINC000673550198 1081264004 /nfs/dbraw/zinc/26/40/04/1081264004.db2.gz UEQAESAIBDGNOP-QRVBRYPASA-N 0 3 422.570 0.711 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1=O ZINC000673550199 1081263561 /nfs/dbraw/zinc/26/35/61/1081263561.db2.gz UEQAESAIBDGNOP-QYZOEREBSA-N 0 3 422.570 0.711 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccccc2-c2nnc(C)o2)CC1=O ZINC000673550270 1081263004 /nfs/dbraw/zinc/26/30/04/1081263004.db2.gz IXRVEPGQGSMXNZ-HNNXBMFYSA-N 0 3 401.467 0.954 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccccc2-c2nnc(C)o2)CC1=O ZINC000673550271 1081262733 /nfs/dbraw/zinc/26/27/33/1081262733.db2.gz IXRVEPGQGSMXNZ-OAHLLOKOSA-N 0 3 401.467 0.954 20 0 HCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cn2cc(-c3ccccc3)nn2)CC1=O ZINC000673550422 1081263886 /nfs/dbraw/zinc/26/38/86/1081263886.db2.gz KQMVFYFSFMNSPQ-KRWDZBQOSA-N 0 3 400.483 0.240 20 0 HCADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2cc(-c3ccccc3)nn2)CC1=O ZINC000673550425 1081263919 /nfs/dbraw/zinc/26/39/19/1081263919.db2.gz KQMVFYFSFMNSPQ-QGZVFWFLSA-N 0 3 400.483 0.240 20 0 HCADHN CN(C(=O)C(=O)NCCCO[C@H]1CCOC1)C1CCN(CCc2ccccn2)CC1 ZINC000673552735 1081275215 /nfs/dbraw/zinc/27/52/15/1081275215.db2.gz HMUPEBBHGSEOPG-FQEVSTJZSA-N 0 3 418.538 0.859 20 0 HCADHN CN(C(=O)C(=O)NCCCO[C@@H]1CCOC1)C1CCN(CCc2ccccn2)CC1 ZINC000673552737 1081275334 /nfs/dbraw/zinc/27/53/34/1081275334.db2.gz HMUPEBBHGSEOPG-HXUWFJFHSA-N 0 3 418.538 0.859 20 0 HCADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000673554944 1081277134 /nfs/dbraw/zinc/27/71/34/1081277134.db2.gz WKECQVRMTOXGFD-VUHPKUFZSA-N 0 3 411.543 0.644 20 0 HCADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000673554945 1081277314 /nfs/dbraw/zinc/27/73/14/1081277314.db2.gz WKECQVRMTOXGFD-VXIBKDFQSA-N 0 3 411.543 0.644 20 0 HCADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000673554946 1081277397 /nfs/dbraw/zinc/27/73/97/1081277397.db2.gz WKECQVRMTOXGFD-VXNCWWDNSA-N 0 3 411.543 0.644 20 0 HCADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000673554947 1081277219 /nfs/dbraw/zinc/27/72/19/1081277219.db2.gz WKECQVRMTOXGFD-YWTNHNAXSA-N 0 3 411.543 0.644 20 0 HCADHN CC(C)c1csc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000673571731 1081312929 /nfs/dbraw/zinc/31/29/29/1081312929.db2.gz BNRPHEAZRQAAMF-HNNXBMFYSA-N 0 3 407.540 0.648 20 0 HCADHN CC(C)c1csc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000673571732 1081312819 /nfs/dbraw/zinc/31/28/19/1081312819.db2.gz BNRPHEAZRQAAMF-OAHLLOKOSA-N 0 3 407.540 0.648 20 0 HCADHN CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)N(C)C1 ZINC000673587571 1081327741 /nfs/dbraw/zinc/32/77/41/1081327741.db2.gz IJGJIYHRNHVIPS-JYJNAYRXSA-N 0 3 405.565 0.008 20 0 HCADHN CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)N(C)C1 ZINC000673587572 1081328154 /nfs/dbraw/zinc/32/81/54/1081328154.db2.gz IJGJIYHRNHVIPS-PMPSAXMXSA-N 0 3 405.565 0.008 20 0 HCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000673604228 1081342762 /nfs/dbraw/zinc/34/27/62/1081342762.db2.gz QLDTVVYHPJJLNU-AWEZNQCLSA-N 0 3 405.421 0.631 20 0 HCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000673604229 1081342833 /nfs/dbraw/zinc/34/28/33/1081342833.db2.gz QLDTVVYHPJJLNU-CQSZACIVSA-N 0 3 405.421 0.631 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC1 ZINC000673618939 1081364187 /nfs/dbraw/zinc/36/41/87/1081364187.db2.gz CWQLAWSLLXWMFH-KRWDZBQOSA-N 0 3 418.542 0.198 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCn3cc(C)nc32)CC1 ZINC000673618940 1081364043 /nfs/dbraw/zinc/36/40/43/1081364043.db2.gz CWQLAWSLLXWMFH-QGZVFWFLSA-N 0 3 418.542 0.198 20 0 HCADHN CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)CC2 ZINC000673621876 1081371505 /nfs/dbraw/zinc/37/15/05/1081371505.db2.gz LOUFHYAKJVMHMH-SJORKVTESA-N 0 3 413.522 0.708 20 0 HCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000673626253 1081376255 /nfs/dbraw/zinc/37/62/55/1081376255.db2.gz ISDJREVEWJZAAQ-INIZCTEOSA-N 0 3 401.511 0.471 20 0 HCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000673626254 1081376364 /nfs/dbraw/zinc/37/63/64/1081376364.db2.gz ISDJREVEWJZAAQ-MRXNPFEDSA-N 0 3 401.511 0.471 20 0 HCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000673626282 1081376301 /nfs/dbraw/zinc/37/63/01/1081376301.db2.gz KYCHXGDIAXRYKS-HNNXBMFYSA-N 0 3 408.524 0.868 20 0 HCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000673626283 1081376094 /nfs/dbraw/zinc/37/60/94/1081376094.db2.gz KYCHXGDIAXRYKS-OAHLLOKOSA-N 0 3 408.524 0.868 20 0 HCADHN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCN3CC[C@H](C)C3)cc2)CC1 ZINC000673626503 1081376407 /nfs/dbraw/zinc/37/64/07/1081376407.db2.gz YPTMLQPOGIBVDP-KRWDZBQOSA-N 0 3 415.538 0.861 20 0 HCADHN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCN3CC[C@@H](C)C3)cc2)CC1 ZINC000673626504 1081376204 /nfs/dbraw/zinc/37/62/04/1081376204.db2.gz YPTMLQPOGIBVDP-QGZVFWFLSA-N 0 3 415.538 0.861 20 0 HCADHN C[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627741 1081376479 /nfs/dbraw/zinc/37/64/79/1081376479.db2.gz TYFDTBCCPXTPLH-HNNXBMFYSA-N 0 3 418.585 0.165 20 0 HCADHN C[C@@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627746 1081376430 /nfs/dbraw/zinc/37/64/30/1081376430.db2.gz TYFDTBCCPXTPLH-OAHLLOKOSA-N 0 3 418.585 0.165 20 0 HCADHN Cc1cccc(N2CCN(CCC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)c1 ZINC000673631091 1081377185 /nfs/dbraw/zinc/37/71/85/1081377185.db2.gz KVZWAASSSDYRLW-UHFFFAOYSA-N 0 3 401.555 0.740 20 0 HCADHN COc1cc(CN2CCN(CCO)C(C)(C)C2)ccc1OCC(=O)N1CCOCC1 ZINC000682165964 1080894093 /nfs/dbraw/zinc/89/40/93/1080894093.db2.gz CHCWGWULFYHMJJ-UHFFFAOYSA-N 0 3 421.538 0.821 20 0 HCADHN CC(C)c1cc(N2CCN(C[C@@H](C)O)CC2)nc(N2CCN(C[C@H](C)O)CC2)n1 ZINC000682916534 1080939831 /nfs/dbraw/zinc/93/98/31/1080939831.db2.gz INIOZLJJDMWBMV-MSOLQXFVSA-N 0 3 406.575 0.606 20 0 HCADHN CC(C)c1cc(N2CCN(C[C@@H](C)O)CC2)nc(N2CCN(C[C@@H](C)O)CC2)n1 ZINC000682916535 1080939721 /nfs/dbraw/zinc/93/97/21/1080939721.db2.gz INIOZLJJDMWBMV-QZTJIDSGSA-N 0 3 406.575 0.606 20 0 HCADHN CC(C)c1cc(N2CCN(C[C@H](C)O)CC2)nc(N2CCN(C[C@H](C)O)CC2)n1 ZINC000682916536 1080939809 /nfs/dbraw/zinc/93/98/09/1080939809.db2.gz INIOZLJJDMWBMV-ROUUACIJSA-N 0 3 406.575 0.606 20 0 HCADHN CC(C)c1cc(N2CCN(C[C@H](C)O)CC2)nc(N2CCN(C[C@@H](C)O)CC2)n1 ZINC000682916537 1080939926 /nfs/dbraw/zinc/93/99/26/1080939926.db2.gz INIOZLJJDMWBMV-ZWKOTPCHSA-N 0 3 406.575 0.606 20 0 HCADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000761313183 1073522871 /nfs/dbraw/zinc/52/28/71/1073522871.db2.gz HIVXFGRMXUTBRI-KRWDZBQOSA-N 0 3 416.526 0.687 20 0 HCADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000761313184 1073522961 /nfs/dbraw/zinc/52/29/61/1073522961.db2.gz HIVXFGRMXUTBRI-QGZVFWFLSA-N 0 3 416.526 0.687 20 0 HCADHN COC(=O)c1cccc(OCC(=N)NOCC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000761314072 1073520783 /nfs/dbraw/zinc/52/07/83/1073520783.db2.gz XHTHXCQLNYFUKT-UHFFFAOYSA-N 0 3 407.423 0.716 20 0 HCADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCO1 ZINC000761335422 1073599070 /nfs/dbraw/zinc/59/90/70/1073599070.db2.gz GABLXJKQQDKHSX-ARFHVFGLSA-N 0 3 412.531 0.537 20 0 HCADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCO1 ZINC000761335426 1073598575 /nfs/dbraw/zinc/59/85/75/1073598575.db2.gz GABLXJKQQDKHSX-HRCADAONSA-N 0 3 412.531 0.537 20 0 HCADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCO1 ZINC000761335429 1073598427 /nfs/dbraw/zinc/59/84/27/1073598427.db2.gz GABLXJKQQDKHSX-JYJNAYRXSA-N 0 3 412.531 0.537 20 0 HCADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCO1 ZINC000761335432 1073598709 /nfs/dbraw/zinc/59/87/09/1073598709.db2.gz GABLXJKQQDKHSX-XHSDSOJGSA-N 0 3 412.531 0.537 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC(S(C)(=O)=O)CC3)cc2)CC1 ZINC000761372647 1074033882 /nfs/dbraw/zinc/03/38/82/1074033882.db2.gz RUFHSPZSCXQCHE-UHFFFAOYSA-N 0 3 422.551 0.803 20 0 HCADHN CS(=O)(=O)NCCNC(=S)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000761505258 1077332147 /nfs/dbraw/zinc/33/21/47/1077332147.db2.gz RKIHBBWSCRAXON-INIZCTEOSA-N 0 3 400.570 0.291 20 0 HCADHN CS(=O)(=O)NCCNC(=S)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000761505260 1077332136 /nfs/dbraw/zinc/33/21/36/1077332136.db2.gz RKIHBBWSCRAXON-MRXNPFEDSA-N 0 3 400.570 0.291 20 0 HCADHN CC(C)NS(=O)(=O)NCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000761507409 1077331506 /nfs/dbraw/zinc/33/15/06/1077331506.db2.gz IXEVCEHWIMRDKX-UHFFFAOYSA-N 0 3 413.613 0.948 20 0 HCADHN CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCN([C@H]3CCOC3)CC2)C(=O)C1 ZINC000761702679 1077635737 /nfs/dbraw/zinc/63/57/37/1077635737.db2.gz POIDFMLEIIEMEX-INIZCTEOSA-N 0 3 410.515 0.435 20 0 HCADHN CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)C(=O)C1 ZINC000761702688 1077636147 /nfs/dbraw/zinc/63/61/47/1077636147.db2.gz POIDFMLEIIEMEX-MRXNPFEDSA-N 0 3 410.515 0.435 20 0 HCADHN NC(=O)[C@@H]1CC(C(=O)NC2CCN([C@@H]3CCOC3)CC2)=NN1c1ccc(F)cc1 ZINC000761704174 1077635939 /nfs/dbraw/zinc/63/59/39/1077635939.db2.gz BGHLNQZONIVLFH-AEFFLSMTSA-N 0 3 403.458 0.615 20 0 HCADHN NC(=O)[C@H]1CC(C(=O)NC2CCN([C@H]3CCOC3)CC2)=NN1c1ccc(F)cc1 ZINC000761704175 1077637031 /nfs/dbraw/zinc/63/70/31/1077637031.db2.gz BGHLNQZONIVLFH-FUHWJXTLSA-N 0 3 403.458 0.615 20 0 HCADHN NC(=O)[C@H]1CC(C(=O)NC2CCN([C@@H]3CCOC3)CC2)=NN1c1ccc(F)cc1 ZINC000761704176 1077636631 /nfs/dbraw/zinc/63/66/31/1077636631.db2.gz BGHLNQZONIVLFH-SJLPKXTDSA-N 0 3 403.458 0.615 20 0 HCADHN NC(=O)[C@@H]1CC(C(=O)NC2CCN([C@H]3CCOC3)CC2)=NN1c1ccc(F)cc1 ZINC000761704178 1077637095 /nfs/dbraw/zinc/63/70/95/1077637095.db2.gz BGHLNQZONIVLFH-WMZOPIPTSA-N 0 3 403.458 0.615 20 0 HCADHN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1=O ZINC000761706395 1077637583 /nfs/dbraw/zinc/63/75/83/1077637583.db2.gz MYCYROWDBSDTAK-DYESRHJHSA-N 0 3 418.469 0.962 20 0 HCADHN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCN([C@H]3CCOC3)CC2)C1=O ZINC000761706397 1077637701 /nfs/dbraw/zinc/63/77/01/1077637701.db2.gz MYCYROWDBSDTAK-LAUBAEHRSA-N 0 3 418.469 0.962 20 0 HCADHN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1=O ZINC000761706402 1077637830 /nfs/dbraw/zinc/63/78/30/1077637830.db2.gz MYCYROWDBSDTAK-UTKZUKDTSA-N 0 3 418.469 0.962 20 0 HCADHN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCN([C@H]3CCOC3)CC2)C1=O ZINC000761706406 1077637900 /nfs/dbraw/zinc/63/79/00/1077637900.db2.gz MYCYROWDBSDTAK-UWJYYQICSA-N 0 3 418.469 0.962 20 0 HCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000761752891 1077655350 /nfs/dbraw/zinc/65/53/50/1077655350.db2.gz BBGSYOXSTPWOBG-INIZCTEOSA-N 0 3 419.503 0.977 20 0 HCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000761752892 1077655495 /nfs/dbraw/zinc/65/54/95/1077655495.db2.gz BBGSYOXSTPWOBG-MRXNPFEDSA-N 0 3 419.503 0.977 20 0 HCADHN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000761753467 1077653770 /nfs/dbraw/zinc/65/37/70/1077653770.db2.gz JLBLSMJXCLKARR-HTAPYJJXSA-N 0 3 412.490 0.749 20 0 HCADHN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000761753470 1077653662 /nfs/dbraw/zinc/65/36/62/1077653662.db2.gz JLBLSMJXCLKARR-JTSKRJEESA-N 0 3 412.490 0.749 20 0 HCADHN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000761753473 1077653800 /nfs/dbraw/zinc/65/38/00/1077653800.db2.gz JLBLSMJXCLKARR-VGOFRKELSA-N 0 3 412.490 0.749 20 0 HCADHN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000761753476 1077654073 /nfs/dbraw/zinc/65/40/73/1077654073.db2.gz JLBLSMJXCLKARR-VGSWGCGISA-N 0 3 412.490 0.749 20 0 HCADHN CN1CCN(c2ncc(CNCCNS(=O)(=O)Cc3ccccc3)cn2)CC1 ZINC000761960295 1077785320 /nfs/dbraw/zinc/78/53/20/1077785320.db2.gz RSLPORBPMDRCPD-UHFFFAOYSA-N 0 3 404.540 0.438 20 0 HCADHN COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000761964028 1077785342 /nfs/dbraw/zinc/78/53/42/1077785342.db2.gz NWCKWRLEFVNWLE-AEFFLSMTSA-N 0 3 413.478 0.858 20 0 HCADHN COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000761964034 1077785285 /nfs/dbraw/zinc/78/52/85/1077785285.db2.gz NWCKWRLEFVNWLE-FUHWJXTLSA-N 0 3 413.478 0.858 20 0 HCADHN COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000761964038 1077785412 /nfs/dbraw/zinc/78/54/12/1077785412.db2.gz NWCKWRLEFVNWLE-SJLPKXTDSA-N 0 3 413.478 0.858 20 0 HCADHN COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000761964043 1077785261 /nfs/dbraw/zinc/78/52/61/1077785261.db2.gz NWCKWRLEFVNWLE-WMZOPIPTSA-N 0 3 413.478 0.858 20 0 HCADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(c3nc(F)c(F)cc3F)CC1)C2=O ZINC000762097296 1077814724 /nfs/dbraw/zinc/81/47/24/1077814724.db2.gz DHRSGTOWPKCTIW-UHFFFAOYSA-N 0 3 412.416 0.595 20 0 HCADHN Cn1cc(/C=C\C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000762109532 1077815382 /nfs/dbraw/zinc/81/53/82/1077815382.db2.gz DLPNXEMTVPFFDI-FAPWYTRCSA-N 0 3 412.490 0.096 20 0 HCADHN Cn1cc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000762109534 1077815440 /nfs/dbraw/zinc/81/54/40/1077815440.db2.gz DLPNXEMTVPFFDI-TYFAACHXSA-N 0 3 412.490 0.096 20 0 HCADHN Cn1cc(/C=C\C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(=O)n(C)c1=O ZINC000762109536 1077815404 /nfs/dbraw/zinc/81/54/04/1077815404.db2.gz DLPNXEMTVPFFDI-VXOKQSJXSA-N 0 3 412.490 0.096 20 0 HCADHN Cn1cc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(=O)n(C)c1=O ZINC000762109538 1077815391 /nfs/dbraw/zinc/81/53/91/1077815391.db2.gz DLPNXEMTVPFFDI-WARJXXDVSA-N 0 3 412.490 0.096 20 0 HCADHN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000762113884 1077815680 /nfs/dbraw/zinc/81/56/80/1077815680.db2.gz RPXJYOVWFMEUBV-KSZLIROESA-N 0 3 412.577 0.906 20 0 HCADHN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000762113886 1077815914 /nfs/dbraw/zinc/81/59/14/1077815914.db2.gz RPXJYOVWFMEUBV-KURKYZTESA-N 0 3 412.577 0.906 20 0 HCADHN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000762113889 1077815815 /nfs/dbraw/zinc/81/58/15/1077815815.db2.gz RPXJYOVWFMEUBV-KZNAEPCWSA-N 0 3 412.577 0.906 20 0 HCADHN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000762113891 1077815880 /nfs/dbraw/zinc/81/58/80/1077815880.db2.gz RPXJYOVWFMEUBV-RCCFBDPRSA-N 0 3 412.577 0.906 20 0 HCADHN CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000762269997 1077835108 /nfs/dbraw/zinc/83/51/08/1077835108.db2.gz BJCXPFQNCUHRSC-GOSISDBHSA-N 0 3 410.540 0.564 20 0 HCADHN CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000762269998 1077835051 /nfs/dbraw/zinc/83/50/51/1077835051.db2.gz BJCXPFQNCUHRSC-SFHVURJKSA-N 0 3 410.540 0.564 20 0 HCADHN Cn1c2[n-]c(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C3CC3)nc2c(=O)n(C)c1=O ZINC000762382379 1077845370 /nfs/dbraw/zinc/84/53/70/1077845370.db2.gz GJRMNCYJIWZMCI-IBGZPJMESA-N 0 3 406.487 0.743 20 0 HCADHN Cn1c2[n-]c(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C3CC3)nc2c(=O)n(C)c1=O ZINC000762382381 1077845356 /nfs/dbraw/zinc/84/53/56/1077845356.db2.gz GJRMNCYJIWZMCI-LJQANCHMSA-N 0 3 406.487 0.743 20 0 HCADHN COc1ncc(NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)cc1C(N)=O ZINC000762417438 1077848807 /nfs/dbraw/zinc/84/88/07/1077848807.db2.gz QOBOESHHJQLKCJ-UHFFFAOYSA-N 0 3 413.478 0.761 20 0 HCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000762458547 1077852093 /nfs/dbraw/zinc/85/20/93/1077852093.db2.gz DHNPXXYWRNAIJD-ARFHVFGLSA-N 0 3 420.514 0.058 20 0 HCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000762458550 1077852062 /nfs/dbraw/zinc/85/20/62/1077852062.db2.gz DHNPXXYWRNAIJD-BZUAXINKSA-N 0 3 420.514 0.058 20 0 HCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000762458555 1077852026 /nfs/dbraw/zinc/85/20/26/1077852026.db2.gz DHNPXXYWRNAIJD-HRCADAONSA-N 0 3 420.514 0.058 20 0 HCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000762458559 1077852083 /nfs/dbraw/zinc/85/20/83/1077852083.db2.gz DHNPXXYWRNAIJD-OAGGEKHMSA-N 0 3 420.514 0.058 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1=O ZINC000762495445 1077854891 /nfs/dbraw/zinc/85/48/91/1077854891.db2.gz SIVSKMBJUPTDJM-DZGCQCFKSA-N 0 3 411.886 0.671 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1=O ZINC000762495446 1077854870 /nfs/dbraw/zinc/85/48/70/1077854870.db2.gz SIVSKMBJUPTDJM-HIFRSBDPSA-N 0 3 411.886 0.671 20 0 HCADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1=O ZINC000762495447 1077854913 /nfs/dbraw/zinc/85/49/13/1077854913.db2.gz SIVSKMBJUPTDJM-UKRRQHHQSA-N 0 3 411.886 0.671 20 0 HCADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1=O ZINC000762495448 1077854895 /nfs/dbraw/zinc/85/48/95/1077854895.db2.gz SIVSKMBJUPTDJM-ZFWWWQNUSA-N 0 3 411.886 0.671 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(CCO)CCOC3)cc2)CC1 ZINC000762545678 1077860530 /nfs/dbraw/zinc/86/05/30/1077860530.db2.gz GZUJQUDMBPCYKE-NRFANRHFSA-N 0 3 404.511 0.672 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(CCO)CCOC3)cc2)CC1 ZINC000762545680 1077860467 /nfs/dbraw/zinc/86/04/67/1077860467.db2.gz GZUJQUDMBPCYKE-OAQYLSRUSA-N 0 3 404.511 0.672 20 0 HCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000762548048 1077860716 /nfs/dbraw/zinc/86/07/16/1077860716.db2.gz ZNBQBTREKMHKGD-KRWDZBQOSA-N 0 3 401.511 0.894 20 0 HCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000762548049 1077860660 /nfs/dbraw/zinc/86/06/60/1077860660.db2.gz ZNBQBTREKMHKGD-QGZVFWFLSA-N 0 3 401.511 0.894 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CCS(C)(=O)=O)cc2)CC1 ZINC000762548767 1077860693 /nfs/dbraw/zinc/86/06/93/1077860693.db2.gz OFYBVLIJAWRZHF-HNNXBMFYSA-N 0 3 410.540 0.706 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CCS(C)(=O)=O)cc2)CC1 ZINC000762548783 1077860698 /nfs/dbraw/zinc/86/06/98/1077860698.db2.gz OFYBVLIJAWRZHF-OAHLLOKOSA-N 0 3 410.540 0.706 20 0 HCADHN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000762550264 1077860866 /nfs/dbraw/zinc/86/08/66/1077860866.db2.gz NXQXAUUGQQBPOB-UHFFFAOYSA-N 0 3 411.484 0.709 20 0 HCADHN CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000762620139 1077870748 /nfs/dbraw/zinc/87/07/48/1077870748.db2.gz SZULUKWDTWMLBX-UHFFFAOYSA-N 0 3 409.531 0.803 20 0 HCADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000762623438 1077871476 /nfs/dbraw/zinc/87/14/76/1077871476.db2.gz KXDRVGNHJIFCJB-BPKVKKHESA-N 0 3 423.495 0.682 20 0 HCADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000762623441 1077871414 /nfs/dbraw/zinc/87/14/14/1077871414.db2.gz KXDRVGNHJIFCJB-LWLPBDFMSA-N 0 3 423.495 0.682 20 0 HCADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000762623444 1077869874 /nfs/dbraw/zinc/86/98/74/1077869874.db2.gz KXDRVGNHJIFCJB-WFSQQTBHSA-N 0 3 423.495 0.682 20 0 HCADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000762623447 1077869846 /nfs/dbraw/zinc/86/98/46/1077869846.db2.gz KXDRVGNHJIFCJB-WPBJZHHJSA-N 0 3 423.495 0.682 20 0 HCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCc3ccnn3C)cc21 ZINC000762691217 1077883852 /nfs/dbraw/zinc/88/38/52/1077883852.db2.gz GCSPBUYJBSWSBH-UHFFFAOYSA-N 0 3 400.439 0.187 20 0 HCADHN CN1CC[C@](O)(CNC(=O)c2cccn3c(I)cnc23)C1 ZINC000762714726 1077890959 /nfs/dbraw/zinc/89/09/59/1077890959.db2.gz CMZXBAFIIVAGMH-AWEZNQCLSA-N 0 3 400.220 0.735 20 0 HCADHN CN1CC[C@@](O)(CNC(=O)c2cccn3c(I)cnc23)C1 ZINC000762714727 1077891283 /nfs/dbraw/zinc/89/12/83/1077891283.db2.gz CMZXBAFIIVAGMH-CQSZACIVSA-N 0 3 400.220 0.735 20 0 HCADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000762715402 1077890997 /nfs/dbraw/zinc/89/09/97/1077890997.db2.gz GFQAJOQJLNWIAB-INIZCTEOSA-N 0 3 405.904 0.061 20 0 HCADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000762715403 1077890968 /nfs/dbraw/zinc/89/09/68/1077890968.db2.gz GFQAJOQJLNWIAB-MRXNPFEDSA-N 0 3 405.904 0.061 20 0 HCADHN CN1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 ZINC000762718182 1077891292 /nfs/dbraw/zinc/89/12/92/1077891292.db2.gz ONVDWQDUHFVNLS-KRWDZBQOSA-N 0 3 417.915 0.157 20 0 HCADHN CN1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 ZINC000762718185 1077891330 /nfs/dbraw/zinc/89/13/30/1077891330.db2.gz ONVDWQDUHFVNLS-QGZVFWFLSA-N 0 3 417.915 0.157 20 0 HCADHN CN1CC[C@](O)(CNC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1 ZINC000762719158 1077891376 /nfs/dbraw/zinc/89/13/76/1077891376.db2.gz PTIIGLCBRWPMHJ-IBGZPJMESA-N 0 3 408.503 0.647 20 0 HCADHN CN1CC[C@@](O)(CNC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1 ZINC000762719159 1077891308 /nfs/dbraw/zinc/89/13/08/1077891308.db2.gz PTIIGLCBRWPMHJ-LJQANCHMSA-N 0 3 408.503 0.647 20 0 HCADHN CN1CC[C@](O)(CNC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000762720465 1077891370 /nfs/dbraw/zinc/89/13/70/1077891370.db2.gz XHERDKXEUBHJRI-AWEZNQCLSA-N 0 3 400.220 0.735 20 0 HCADHN CN1CC[C@@](O)(CNC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000762720466 1077891339 /nfs/dbraw/zinc/89/13/39/1077891339.db2.gz XHERDKXEUBHJRI-CQSZACIVSA-N 0 3 400.220 0.735 20 0 HCADHN Cc1c(C(=O)NC[C@@]2(O)CCN(C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000762721023 1077891724 /nfs/dbraw/zinc/89/17/24/1077891724.db2.gz GMXKYVHPCJOMLH-FQEVSTJZSA-N 0 3 422.530 0.955 20 0 HCADHN Cc1c(C(=O)NC[C@]2(O)CCN(C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000762721024 1077891693 /nfs/dbraw/zinc/89/16/93/1077891693.db2.gz GMXKYVHPCJOMLH-HXUWFJFHSA-N 0 3 422.530 0.955 20 0 HCADHN CN1CC[C@](O)(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000762721087 1077891348 /nfs/dbraw/zinc/89/13/48/1077891348.db2.gz ICRNOOMGGBOXBC-KRWDZBQOSA-N 0 3 401.916 0.921 20 0 HCADHN CN1CC[C@@](O)(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000762721088 1077891716 /nfs/dbraw/zinc/89/17/16/1077891716.db2.gz ICRNOOMGGBOXBC-QGZVFWFLSA-N 0 3 401.916 0.921 20 0 HCADHN CN1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000762722394 1077891750 /nfs/dbraw/zinc/89/17/50/1077891750.db2.gz PVYNZEYXBYZNOE-KRWDZBQOSA-N 0 3 401.916 0.921 20 0 HCADHN CN1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000762722396 1077891668 /nfs/dbraw/zinc/89/16/68/1077891668.db2.gz PVYNZEYXBYZNOE-QGZVFWFLSA-N 0 3 401.916 0.921 20 0 HCADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CCN(C)C2)ccc1Br ZINC000762722512 1077891743 /nfs/dbraw/zinc/89/17/43/1077891743.db2.gz RFEAIXMARRLCJB-HNNXBMFYSA-N 0 3 420.329 0.496 20 0 HCADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CCN(C)C2)ccc1Br ZINC000762722516 1077891737 /nfs/dbraw/zinc/89/17/37/1077891737.db2.gz RFEAIXMARRLCJB-OAHLLOKOSA-N 0 3 420.329 0.496 20 0 HCADHN CN1CC[C@@](O)(CNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 ZINC000762722935 1077889227 /nfs/dbraw/zinc/88/92/27/1077889227.db2.gz RQGLXTPOJVJWAB-GOSISDBHSA-N 0 3 407.858 0.619 20 0 HCADHN CN1CC[C@](O)(CNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 ZINC000762722936 1077889148 /nfs/dbraw/zinc/88/91/48/1077889148.db2.gz RQGLXTPOJVJWAB-SFHVURJKSA-N 0 3 407.858 0.619 20 0 HCADHN C[C@H](NC(=O)CON=C(N)c1ccccc1CN1CCC(O)CC1)C(=O)N(C)C ZINC000762736915 1077892959 /nfs/dbraw/zinc/89/29/59/1077892959.db2.gz BAAMPHPOUPPMQU-AWEZNQCLSA-N 0 3 405.499 0.083 20 0 HCADHN C[C@@H](NC(=O)CON=C(N)c1ccccc1CN1CCC(O)CC1)C(=O)N(C)C ZINC000762736923 1077893000 /nfs/dbraw/zinc/89/30/00/1077893000.db2.gz BAAMPHPOUPPMQU-CQSZACIVSA-N 0 3 405.499 0.083 20 0 HCADHN C[C@H](NC(=O)CON=C(N)CCN1CCN(Cc2ccccc2)CC1)C(=O)N(C)C ZINC000762741298 1077893369 /nfs/dbraw/zinc/89/33/69/1077893369.db2.gz NZZGOTNZPFDERG-KRWDZBQOSA-N 0 3 418.542 0.286 20 0 HCADHN C[C@@H](NC(=O)CON=C(N)CCN1CCN(Cc2ccccc2)CC1)C(=O)N(C)C ZINC000762741333 1077893332 /nfs/dbraw/zinc/89/33/32/1077893332.db2.gz NZZGOTNZPFDERG-QGZVFWFLSA-N 0 3 418.542 0.286 20 0 HCADHN COC(=O)c1cccc(OCC(=N)NOCC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000762769006 1077896404 /nfs/dbraw/zinc/89/64/04/1077896404.db2.gz NIQRXCGLKJWBEH-HNNXBMFYSA-N 0 3 406.439 0.478 20 0 HCADHN COC(=O)c1cccc(OCC(=N)NOCC(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000762769009 1077896333 /nfs/dbraw/zinc/89/63/33/1077896333.db2.gz NIQRXCGLKJWBEH-OAHLLOKOSA-N 0 3 406.439 0.478 20 0 HCADHN COC(=O)c1cccc(OCC(=N)NOCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000762771000 1077897535 /nfs/dbraw/zinc/89/75/35/1077897535.db2.gz VPQBYYCFBUCUMJ-AWEZNQCLSA-N 0 3 420.466 0.868 20 0 HCADHN COC(=O)c1cccc(OCC(=N)NOCC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 ZINC000762771007 1077897551 /nfs/dbraw/zinc/89/75/51/1077897551.db2.gz VPQBYYCFBUCUMJ-CQSZACIVSA-N 0 3 420.466 0.868 20 0 HCADHN COC(=O)CN1CCN(c2ccc(NC(=O)NC[C@@]3(O)CCN(C)C3)cc2)CC1 ZINC000762844757 1077900025 /nfs/dbraw/zinc/90/00/25/1077900025.db2.gz SCYSTFBCCDFPRQ-FQEVSTJZSA-N 0 3 405.499 0.170 20 0 HCADHN COC(=O)CN1CCN(c2ccc(NC(=O)NC[C@]3(O)CCN(C)C3)cc2)CC1 ZINC000762844760 1077900450 /nfs/dbraw/zinc/90/04/50/1077900450.db2.gz SCYSTFBCCDFPRQ-HXUWFJFHSA-N 0 3 405.499 0.170 20 0 HCADHN CN1CC[C@](O)(CNC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1 ZINC000762857708 1077901611 /nfs/dbraw/zinc/90/16/11/1077901611.db2.gz BDVPLFPCIYNZRY-INIZCTEOSA-N 0 3 405.904 0.952 20 0 HCADHN CN1CC[C@@](O)(CNC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1 ZINC000762857709 1077901653 /nfs/dbraw/zinc/90/16/53/1077901653.db2.gz BDVPLFPCIYNZRY-MRXNPFEDSA-N 0 3 405.904 0.952 20 0 HCADHN CN(C)C1(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CCC1 ZINC000762963272 1077969933 /nfs/dbraw/zinc/96/99/33/1077969933.db2.gz CHOSHUKYJUBMEF-UHFFFAOYSA-N 0 3 408.524 0.995 20 0 HCADHN C[C@@H](O)c1cn(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)nn1 ZINC000762979996 1077988079 /nfs/dbraw/zinc/98/80/79/1077988079.db2.gz SZFMRQRXOJGRDE-MSOLQXFVSA-N 0 3 413.526 0.787 20 0 HCADHN C[C@@H](O)c1cn(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)nn1 ZINC000762980000 1077987997 /nfs/dbraw/zinc/98/79/97/1077987997.db2.gz SZFMRQRXOJGRDE-QZTJIDSGSA-N 0 3 413.526 0.787 20 0 HCADHN C[C@H](O)c1cn(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)nn1 ZINC000762980003 1077988175 /nfs/dbraw/zinc/98/81/75/1077988175.db2.gz SZFMRQRXOJGRDE-ROUUACIJSA-N 0 3 413.526 0.787 20 0 HCADHN C[C@H](O)c1cn(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)nn1 ZINC000762980007 1077988048 /nfs/dbraw/zinc/98/80/48/1077988048.db2.gz SZFMRQRXOJGRDE-ZWKOTPCHSA-N 0 3 413.526 0.787 20 0 HCADHN C[C@@H]1NC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)=NN(c2ccccc2)C1=O ZINC000762980706 1077987133 /nfs/dbraw/zinc/98/71/33/1077987133.db2.gz ANLREHHCACOFAY-OXJNMPFZSA-N 0 3 421.501 0.860 20 0 HCADHN C[C@H]1NC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)=NN(c2ccccc2)C1=O ZINC000762980709 1077987537 /nfs/dbraw/zinc/98/75/37/1077987537.db2.gz ANLREHHCACOFAY-OXQOHEQNSA-N 0 3 421.501 0.860 20 0 HCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000762982304 1077986666 /nfs/dbraw/zinc/98/66/66/1077986666.db2.gz YOQPFPRNYHWDTH-GOSISDBHSA-N 0 3 416.503 0.019 20 0 HCADHN NC(=O)[C@@H]1CC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)=NN1c1ccccc1 ZINC000762982311 1077986291 /nfs/dbraw/zinc/98/62/91/1077986291.db2.gz YWUQMGVRQGAYBG-CTNGQTDRSA-N 0 3 421.501 0.642 20 0 HCADHN NC(=O)[C@H]1CC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)=NN1c1ccccc1 ZINC000762982319 1077986809 /nfs/dbraw/zinc/98/68/09/1077986809.db2.gz YWUQMGVRQGAYBG-TZIWHRDSSA-N 0 3 421.501 0.642 20 0 HCADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000763024721 1077996389 /nfs/dbraw/zinc/99/63/89/1077996389.db2.gz JFTZWDRQXDILAY-UHFFFAOYSA-N 0 3 415.537 0.852 20 0 HCADHN C[C@H](O)c1cn(CC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)nn1 ZINC000763043036 1078000809 /nfs/dbraw/zinc/00/08/09/1078000809.db2.gz BBCOZKXUWPMWNH-HNNXBMFYSA-N 0 3 400.483 0.473 20 0 HCADHN C[C@@H](O)c1cn(CC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)nn1 ZINC000763043038 1078000699 /nfs/dbraw/zinc/00/06/99/1078000699.db2.gz BBCOZKXUWPMWNH-OAHLLOKOSA-N 0 3 400.483 0.473 20 0 HCADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000763043250 1078000673 /nfs/dbraw/zinc/00/06/73/1078000673.db2.gz PIUYQSGSPNCIND-UHFFFAOYSA-N 0 3 408.568 0.902 20 0 HCADHN CN(C)C1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCC1 ZINC000763044571 1078000729 /nfs/dbraw/zinc/00/07/29/1078000729.db2.gz OGTNFKNYKGUOMZ-UHFFFAOYSA-N 0 3 422.507 0.335 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000763066331 1078002403 /nfs/dbraw/zinc/00/24/03/1078002403.db2.gz YIIGFFCRACCLHN-INIZCTEOSA-N 0 3 409.531 0.801 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000763066332 1078002323 /nfs/dbraw/zinc/00/23/23/1078002323.db2.gz YIIGFFCRACCLHN-MRXNPFEDSA-N 0 3 409.531 0.801 20 0 HCADHN CCN(C(=O)CN[C@@H](CO)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000763070535 1078002258 /nfs/dbraw/zinc/00/22/58/1078002258.db2.gz PTPKNEJRPFQNJI-HNNXBMFYSA-N 0 3 401.467 0.293 20 0 HCADHN CCN(C(=O)CN[C@H](CO)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000763070539 1078002344 /nfs/dbraw/zinc/00/23/44/1078002344.db2.gz PTPKNEJRPFQNJI-OAHLLOKOSA-N 0 3 401.467 0.293 20 0 HCADHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000763083333 1078003563 /nfs/dbraw/zinc/00/35/63/1078003563.db2.gz IAQSYBQVOQWGMM-IZDJOXEWSA-N 0 3 420.466 0.671 20 0 HCADHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000763083335 1078003423 /nfs/dbraw/zinc/00/34/23/1078003423.db2.gz IAQSYBQVOQWGMM-MTJIALIYSA-N 0 3 420.466 0.671 20 0 HCADHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000763083336 1078003401 /nfs/dbraw/zinc/00/34/01/1078003401.db2.gz IAQSYBQVOQWGMM-UVARLRKDSA-N 0 3 420.466 0.671 20 0 HCADHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000763083338 1078003449 /nfs/dbraw/zinc/00/34/49/1078003449.db2.gz IAQSYBQVOQWGMM-VFGMZZLHSA-N 0 3 420.466 0.671 20 0 HCADHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000763112584 1078004808 /nfs/dbraw/zinc/00/48/08/1078004808.db2.gz OPMXVQGHMNOGID-CVEARBPZSA-N 0 3 421.523 0.729 20 0 HCADHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000763112586 1078004723 /nfs/dbraw/zinc/00/47/23/1078004723.db2.gz OPMXVQGHMNOGID-HOTGVXAUSA-N 0 3 421.523 0.729 20 0 HCADHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000763112588 1078004702 /nfs/dbraw/zinc/00/47/02/1078004702.db2.gz OPMXVQGHMNOGID-HZPDHXFCSA-N 0 3 421.523 0.729 20 0 HCADHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000763112590 1078004789 /nfs/dbraw/zinc/00/47/89/1078004789.db2.gz OPMXVQGHMNOGID-JKSUJKDBSA-N 0 3 421.523 0.729 20 0 HCADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@H]3CCCC[C@@H]3C(N)=O)C2=O)cc1 ZINC000763112750 1078004674 /nfs/dbraw/zinc/00/46/74/1078004674.db2.gz PQOQRCTYJPSMOI-AVYPCKFXSA-N 0 3 417.466 0.127 20 0 HCADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@@H]3CCCC[C@@H]3C(N)=O)C2=O)cc1 ZINC000763112753 1078004747 /nfs/dbraw/zinc/00/47/47/1078004747.db2.gz PQOQRCTYJPSMOI-MDOVXXIYSA-N 0 3 417.466 0.127 20 0 HCADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@H]3CCCC[C@H]3C(N)=O)C2=O)cc1 ZINC000763112755 1078004823 /nfs/dbraw/zinc/00/48/23/1078004823.db2.gz PQOQRCTYJPSMOI-SIFCLUCFSA-N 0 3 417.466 0.127 20 0 HCADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@@H]3CCCC[C@H]3C(N)=O)C2=O)cc1 ZINC000763112757 1078004629 /nfs/dbraw/zinc/00/46/29/1078004629.db2.gz PQOQRCTYJPSMOI-SXGZJXTBSA-N 0 3 417.466 0.127 20 0 HCADHN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)C1=O ZINC000763114409 1078006731 /nfs/dbraw/zinc/00/67/31/1078006731.db2.gz SQQYSTCUBRRXHW-CKJXQJPGSA-N 0 3 415.494 0.595 20 0 HCADHN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)C1=O ZINC000763114411 1078006615 /nfs/dbraw/zinc/00/66/15/1078006615.db2.gz SQQYSTCUBRRXHW-GCKMJXCFSA-N 0 3 415.494 0.595 20 0 HCADHN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN[C@H]2CCCC[C@H]2C(N)=O)C1=O ZINC000763114414 1078006757 /nfs/dbraw/zinc/00/67/57/1078006757.db2.gz SQQYSTCUBRRXHW-VWKPWSFCSA-N 0 3 415.494 0.595 20 0 HCADHN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)C1=O ZINC000763114416 1078006647 /nfs/dbraw/zinc/00/66/47/1078006647.db2.gz SQQYSTCUBRRXHW-WHSLLNHNSA-N 0 3 415.494 0.595 20 0 HCADHN CS[C@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@@H]1N(C)C ZINC000763236809 1078038569 /nfs/dbraw/zinc/03/85/69/1078038569.db2.gz IFKMWVBOXVNMKJ-KBPBESRZSA-N 0 3 400.545 0.570 20 0 HCADHN CS[C@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@H]1N(C)C ZINC000763236811 1078038513 /nfs/dbraw/zinc/03/85/13/1078038513.db2.gz IFKMWVBOXVNMKJ-KGLIPLIRSA-N 0 3 400.545 0.570 20 0 HCADHN CS[C@@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@@H]1N(C)C ZINC000763236813 1078038599 /nfs/dbraw/zinc/03/85/99/1078038599.db2.gz IFKMWVBOXVNMKJ-UONOGXRCSA-N 0 3 400.545 0.570 20 0 HCADHN CS[C@@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@H]1N(C)C ZINC000763236815 1078038541 /nfs/dbraw/zinc/03/85/41/1078038541.db2.gz IFKMWVBOXVNMKJ-ZIAGYGMSSA-N 0 3 400.545 0.570 20 0 HCADHN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000763291941 1078048988 /nfs/dbraw/zinc/04/89/88/1078048988.db2.gz KMWZVVWTNGMOFZ-IBGZPJMESA-N 0 3 401.511 0.310 20 0 HCADHN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000763291943 1078048815 /nfs/dbraw/zinc/04/88/15/1078048815.db2.gz KMWZVVWTNGMOFZ-LJQANCHMSA-N 0 3 401.511 0.310 20 0 HCADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(S(C)(=O)=O)c3ccccc3C1)C2=O ZINC000763328773 1078051325 /nfs/dbraw/zinc/05/13/25/1078051325.db2.gz UKQQOCYOSGEXOQ-UHFFFAOYSA-N 0 3 421.523 0.242 20 0 HCADHN C[C@H]1CN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)CC[C@H]1N1CCN(C)CC1 ZINC000763334233 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CCCNC(=O)CCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765256354 1079408928 /nfs/dbraw/zinc/40/89/28/1079408928.db2.gz VJEGEPWYRKTGHQ-CYBMUJFWSA-N 0 3 405.542 0.979 20 0 HCADHN CCCNC(=O)CCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765256355 1079409091 /nfs/dbraw/zinc/40/90/91/1079409091.db2.gz VJEGEPWYRKTGHQ-ZDUSSCGKSA-N 0 3 405.542 0.979 20 0 HCADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000765256738 1079408782 /nfs/dbraw/zinc/40/87/82/1079408782.db2.gz TYYJQQKNVLICKI-MSOLQXFVSA-N 0 3 408.524 0.889 20 0 HCADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000765256741 1079408561 /nfs/dbraw/zinc/40/85/61/1079408561.db2.gz TYYJQQKNVLICKI-QZTJIDSGSA-N 0 3 408.524 0.889 20 0 HCADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000765256742 1079408641 /nfs/dbraw/zinc/40/86/41/1079408641.db2.gz TYYJQQKNVLICKI-ROUUACIJSA-N 0 3 408.524 0.889 20 0 HCADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000765256743 1079409155 /nfs/dbraw/zinc/40/91/55/1079409155.db2.gz TYYJQQKNVLICKI-ZWKOTPCHSA-N 0 3 408.524 0.889 20 0 HCADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)C1=O ZINC000765261283 1079407088 /nfs/dbraw/zinc/40/70/88/1079407088.db2.gz RMPOYKDFEFXCIU-IIMJZQEZSA-N 0 3 420.535 0.966 20 0 HCADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)C1=O ZINC000765261288 1079407509 /nfs/dbraw/zinc/40/75/09/1079407509.db2.gz RMPOYKDFEFXCIU-KKVAFCGZSA-N 0 3 420.535 0.966 20 0 HCADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)C1=O ZINC000765261293 1079407413 /nfs/dbraw/zinc/40/74/13/1079407413.db2.gz RMPOYKDFEFXCIU-NBQZKYEYSA-N 0 3 420.535 0.966 20 0 HCADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)C1=O ZINC000765261297 1079407178 /nfs/dbraw/zinc/40/71/78/1079407178.db2.gz RMPOYKDFEFXCIU-UVFQYZLESA-N 0 3 420.535 0.966 20 0 HCADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000765337415 1079419903 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NDTIYMLQVWDIEV-LPHOPBHVSA-N 0 3 424.567 0.967 20 0 HCADHN CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000765348593 1079421113 /nfs/dbraw/zinc/42/11/13/1079421113.db2.gz NDTIYMLQVWDIEV-QFBILLFUSA-N 0 3 424.567 0.967 20 0 HCADHN CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000765348598 1079421212 /nfs/dbraw/zinc/42/12/12/1079421212.db2.gz NDTIYMLQVWDIEV-VQIMIIECSA-N 0 3 424.567 0.967 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000765380103 1079424248 /nfs/dbraw/zinc/42/42/48/1079424248.db2.gz JHKIITALRMIOMF-DLBZAZTESA-N 0 3 424.542 0.953 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000765380106 1079424288 /nfs/dbraw/zinc/42/42/88/1079424288.db2.gz JHKIITALRMIOMF-IAGOWNOFSA-N 0 3 424.542 0.953 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000765380110 1079424138 /nfs/dbraw/zinc/42/41/38/1079424138.db2.gz JHKIITALRMIOMF-IRXDYDNUSA-N 0 3 424.542 0.953 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000765380113 1079423992 /nfs/dbraw/zinc/42/39/92/1079423992.db2.gz JHKIITALRMIOMF-SJORKVTESA-N 0 3 424.542 0.953 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000765382133 1079424315 /nfs/dbraw/zinc/42/43/15/1079424315.db2.gz RSFRVTSSHTYUHY-CVEARBPZSA-N 0 3 410.515 0.563 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000765382136 1079424213 /nfs/dbraw/zinc/42/42/13/1079424213.db2.gz RSFRVTSSHTYUHY-HOTGVXAUSA-N 0 3 410.515 0.563 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000765382139 1079424326 /nfs/dbraw/zinc/42/43/26/1079424326.db2.gz RSFRVTSSHTYUHY-HZPDHXFCSA-N 0 3 410.515 0.563 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000765382142 1079424991 /nfs/dbraw/zinc/42/49/91/1079424991.db2.gz RSFRVTSSHTYUHY-JKSUJKDBSA-N 0 3 410.515 0.563 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765382786 1079425041 /nfs/dbraw/zinc/42/50/41/1079425041.db2.gz VLCLGAWCZKZSMA-CVEARBPZSA-N 0 3 412.531 0.681 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765382789 1079424892 /nfs/dbraw/zinc/42/48/92/1079424892.db2.gz VLCLGAWCZKZSMA-HOTGVXAUSA-N 0 3 412.531 0.681 20 0 HCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765382790 1079424961 /nfs/dbraw/zinc/42/49/61/1079424961.db2.gz VLCLGAWCZKZSMA-HZPDHXFCSA-N 0 3 412.531 0.681 20 0 HCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765382791 1079425092 /nfs/dbraw/zinc/42/50/92/1079425092.db2.gz VLCLGAWCZKZSMA-JKSUJKDBSA-N 0 3 412.531 0.681 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000765417015 1079432285 /nfs/dbraw/zinc/43/22/85/1079432285.db2.gz QEGDHGWEYPOPJI-INIZCTEOSA-N 0 3 410.515 0.389 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000765417017 1079432603 /nfs/dbraw/zinc/43/26/03/1079432603.db2.gz QEGDHGWEYPOPJI-MRXNPFEDSA-N 0 3 410.515 0.389 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000765417442 1079433417 /nfs/dbraw/zinc/43/34/17/1079433417.db2.gz UTUPOZGHOYXQGQ-KRWDZBQOSA-N 0 3 424.542 0.779 20 0 HCADHN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000765417443 1079433194 /nfs/dbraw/zinc/43/31/94/1079433194.db2.gz UTUPOZGHOYXQGQ-QGZVFWFLSA-N 0 3 424.542 0.779 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765419194 1079433388 /nfs/dbraw/zinc/43/33/88/1079433388.db2.gz GCPPHJQLIMWQAR-INIZCTEOSA-N 0 3 412.531 0.635 20 0 HCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765419195 1079432915 /nfs/dbraw/zinc/43/29/15/1079432915.db2.gz GCPPHJQLIMWQAR-MRXNPFEDSA-N 0 3 412.531 0.635 20 0 HCADHN C[C@H](Cn1cncn1)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765434123 1079435896 /nfs/dbraw/zinc/43/58/96/1079435896.db2.gz QBVWVCVSVDJKPL-CHWSQXEVSA-N 0 3 401.514 0.743 20 0 HCADHN C[C@H](Cn1cncn1)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765434124 1079435828 /nfs/dbraw/zinc/43/58/28/1079435828.db2.gz QBVWVCVSVDJKPL-OLZOCXBDSA-N 0 3 401.514 0.743 20 0 HCADHN C[C@@H](N[C@@H](C)Cn1cncn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765434125 1079435730 /nfs/dbraw/zinc/43/57/30/1079435730.db2.gz QBVWVCVSVDJKPL-QWHCGFSZSA-N 0 3 401.514 0.743 20 0 HCADHN C[C@@H](Cn1cncn1)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765434126 1079435786 /nfs/dbraw/zinc/43/57/86/1079435786.db2.gz QBVWVCVSVDJKPL-STQMWFEESA-N 0 3 401.514 0.743 20 0 HCADHN Cc1cccc(N2CCN(CCCCNC(=O)C3=NN(CCO)C(=O)CC3)CC2)c1 ZINC000765471309 1079442228 /nfs/dbraw/zinc/44/22/28/1079442228.db2.gz MHBXBVVDKBVUHZ-UHFFFAOYSA-N 0 3 415.538 0.984 20 0 HCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1=NN(CCO)C(=O)CC1 ZINC000765471476 1079443745 /nfs/dbraw/zinc/44/37/45/1079443745.db2.gz VTTXDGDOHWDFTI-UHFFFAOYSA-N 0 3 401.511 0.281 20 0 HCADHN CCN1CCN(Cc2ccc(CNC(=O)C3=NN(CCO)C(=O)CC3)cc2)CC1 ZINC000765471812 1079443852 /nfs/dbraw/zinc/44/38/52/1079443852.db2.gz FZZWJDAMJCCBFL-UHFFFAOYSA-N 0 3 401.511 0.411 20 0 HCADHN C[C@@H](NC[C@@H](O)COCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765529953 1079462594 /nfs/dbraw/zinc/46/25/94/1079462594.db2.gz XYPFMMXTJJUINR-CXAGYDPISA-N 0 3 420.553 0.850 20 0 HCADHN C[C@@H](NC[C@H](O)COCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765529960 1079462532 /nfs/dbraw/zinc/46/25/32/1079462532.db2.gz XYPFMMXTJJUINR-DYVFJYSZSA-N 0 3 420.553 0.850 20 0 HCADHN C[C@H](NC[C@H](O)COCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765529963 1079462570 /nfs/dbraw/zinc/46/25/70/1079462570.db2.gz XYPFMMXTJJUINR-GUYCJALGSA-N 0 3 420.553 0.850 20 0 HCADHN C[C@H](NC[C@@H](O)COCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765529966 1079462612 /nfs/dbraw/zinc/46/26/12/1079462612.db2.gz XYPFMMXTJJUINR-SUMWQHHRSA-N 0 3 420.553 0.850 20 0 HCADHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)c3cccnc32)CC1 ZINC000765551124 1079475784 /nfs/dbraw/zinc/47/57/84/1079475784.db2.gz CJKPNVFDIFZBBK-INIZCTEOSA-N 0 3 403.508 0.625 20 0 HCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)c3cccnc32)CC1 ZINC000765551130 1079476446 /nfs/dbraw/zinc/47/64/46/1079476446.db2.gz CJKPNVFDIFZBBK-MRXNPFEDSA-N 0 3 403.508 0.625 20 0 HCADHN O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(C2CCCCC2)CC1 ZINC000765621439 1079528181 /nfs/dbraw/zinc/52/81/81/1079528181.db2.gz TXSLNJSOFZBVJR-INIZCTEOSA-N 0 3 410.540 0.629 20 0 HCADHN O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(C2CCCCC2)CC1 ZINC000765621440 1079528334 /nfs/dbraw/zinc/52/83/34/1079528334.db2.gz TXSLNJSOFZBVJR-MRXNPFEDSA-N 0 3 410.540 0.629 20 0 HCADHN CC[C@@H](C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000765732453 1079571455 /nfs/dbraw/zinc/57/14/55/1079571455.db2.gz USEJYCKDTYSPRM-HNNXBMFYSA-N 0 3 418.560 0.420 20 0 HCADHN CC[C@H](C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000765732455 1079572272 /nfs/dbraw/zinc/57/22/72/1079572272.db2.gz USEJYCKDTYSPRM-OAHLLOKOSA-N 0 3 418.560 0.420 20 0 HCADHN C[C@@H](NCCCS(C)(=O)=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765755757 1079721257 /nfs/dbraw/zinc/72/12/57/1079721257.db2.gz YUTPKZNEKADXDY-GFCCVEGCSA-N 0 3 412.555 0.498 20 0 HCADHN C[C@H](NCCCS(C)(=O)=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765755758 1079720807 /nfs/dbraw/zinc/72/08/07/1079720807.db2.gz YUTPKZNEKADXDY-LBPRGKRZSA-N 0 3 412.555 0.498 20 0 HCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000765871881 1080307829 /nfs/dbraw/zinc/30/78/29/1080307829.db2.gz ONKRJEPBCXGKBG-HNNXBMFYSA-N 0 3 415.560 0.078 20 0 HCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000765884695 1080313945 /nfs/dbraw/zinc/31/39/45/1080313945.db2.gz UISSIYISUJHTJI-AQNXPRMDSA-N 0 3 416.522 0.619 20 0 HCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000765884698 1080313986 /nfs/dbraw/zinc/31/39/86/1080313986.db2.gz UISSIYISUJHTJI-VAMGGRTRSA-N 0 3 416.522 0.619 20 0 HCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000765884700 1080313841 /nfs/dbraw/zinc/31/38/41/1080313841.db2.gz UISSIYISUJHTJI-XUVXKRRUSA-N 0 3 416.522 0.619 20 0 HCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000765884702 1080314439 /nfs/dbraw/zinc/31/44/39/1080314439.db2.gz UISSIYISUJHTJI-ZCNNSNEGSA-N 0 3 416.522 0.619 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000765897422 1080321027 /nfs/dbraw/zinc/32/10/27/1080321027.db2.gz NZFJGHBYIRSILM-MSOLQXFVSA-N 0 3 401.511 0.798 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000765897424 1080320897 /nfs/dbraw/zinc/32/08/97/1080320897.db2.gz NZFJGHBYIRSILM-QZTJIDSGSA-N 0 3 401.511 0.798 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000765897425 1080321083 /nfs/dbraw/zinc/32/10/83/1080321083.db2.gz NZFJGHBYIRSILM-ROUUACIJSA-N 0 3 401.511 0.798 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000765897426 1080321149 /nfs/dbraw/zinc/32/11/49/1080321149.db2.gz NZFJGHBYIRSILM-ZWKOTPCHSA-N 0 3 401.511 0.798 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC3(N4CCOCC4)CC3)cc2)CC1 ZINC000765897713 1080320373 /nfs/dbraw/zinc/32/03/73/1080320373.db2.gz SERPJUKGKAFPHO-UHFFFAOYSA-N 0 3 415.538 0.748 20 0 HCADHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765916977 1080387338 /nfs/dbraw/zinc/38/73/38/1080387338.db2.gz PUUIZQNPCJNSFG-PBHICJAKSA-N 0 3 418.585 0.309 20 0 HCADHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765916980 1080387305 /nfs/dbraw/zinc/38/73/05/1080387305.db2.gz PUUIZQNPCJNSFG-RHSMWYFYSA-N 0 3 418.585 0.309 20 0 HCADHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765916983 1080387216 /nfs/dbraw/zinc/38/72/16/1080387216.db2.gz PUUIZQNPCJNSFG-WMLDXEAASA-N 0 3 418.585 0.309 20 0 HCADHN C[C@H](NC[C@H]1CN(C)CCN1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765916986 1080387024 /nfs/dbraw/zinc/38/70/24/1080387024.db2.gz PUUIZQNPCJNSFG-YOEHRIQHSA-N 0 3 418.585 0.309 20 0 HCADHN Cc1nc(Br)ccc1NC(=O)C(=O)N(CCOCCO)CCN(C)C ZINC000784491993 1077709428 /nfs/dbraw/zinc/70/94/28/1077709428.db2.gz IERDYMVQUXJEBW-UHFFFAOYSA-N 0 3 417.304 0.490 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000785435334 1079499781 /nfs/dbraw/zinc/49/97/81/1079499781.db2.gz AQLAEVCHPLRZSC-MRXNPFEDSA-N 0 3 424.542 0.777 20 0 HCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000785439108 1079558966 /nfs/dbraw/zinc/55/89/66/1079558966.db2.gz OTPZGBJEDIKWJA-CQSZACIVSA-N 0 3 407.492 0.543 20 0 HCADHN CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1=O ZINC000785439517 1079767829 /nfs/dbraw/zinc/76/78/29/1079767829.db2.gz TVYSMJRFVHQFMC-MRXNPFEDSA-N 0 3 414.506 0.895 20 0 HCADHN O=C(NCc1ccccc1CN1CCOCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785445840 1080107819 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CC[C@@H](CO)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000916570853 1078093337 /nfs/dbraw/zinc/09/33/37/1078093337.db2.gz YIKRTARKMKRYRW-ZDUSSCGKSA-N 0 3 401.485 0.015 20 0 HCADHN CC[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000916571370 1078093478 /nfs/dbraw/zinc/09/34/78/1078093478.db2.gz FYFGDCRCZNWIEA-GFCCVEGCSA-N 0 3 405.904 0.660 20 0 HCADHN CC[C@@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000916571371 1078093626 /nfs/dbraw/zinc/09/36/26/1078093626.db2.gz FYFGDCRCZNWIEA-LBPRGKRZSA-N 0 3 405.904 0.660 20 0 HCADHN CC[C@@H](CO)NCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000916571382 1078093577 /nfs/dbraw/zinc/09/35/77/1078093577.db2.gz GGTCBKBBDWVFJF-INIZCTEOSA-N 0 3 417.510 0.929 20 0 HCADHN CC[C@H](CO)NCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000916571383 1078093457 /nfs/dbraw/zinc/09/34/57/1078093457.db2.gz GGTCBKBBDWVFJF-MRXNPFEDSA-N 0 3 417.510 0.929 20 0 HCADHN CCCN(C(=O)CN[C@@H](CC)CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000916571845 1078093523 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HCADHN CN(C)CCn1nnnc1SCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000916702902 1078134104 /nfs/dbraw/zinc/13/41/04/1078134104.db2.gz GQVHAGBEUYJDIA-UHFFFAOYSA-N 0 3 420.467 0.962 20 0 HCADHN COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnnn1CCN(C)C ZINC000916702954 1078134174 /nfs/dbraw/zinc/13/41/74/1078134174.db2.gz LGQANEINGNFREK-UHFFFAOYSA-N 0 3 400.486 0.744 20 0 HCADHN CN(C)CCn1nnnc1SCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000916702963 1078133973 /nfs/dbraw/zinc/13/39/73/1078133973.db2.gz MEGVDYIOVQPCBS-UHFFFAOYSA-N 0 3 420.467 0.962 20 0 HCADHN CN(C)CCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CCCCC1 ZINC000916726309 1078135739 /nfs/dbraw/zinc/13/57/39/1078135739.db2.gz IUBHPRQVWBMCOJ-INIZCTEOSA-N 0 3 412.556 0.875 20 0 HCADHN CN(C)CCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CCCCC1 ZINC000916726310 1078135722 /nfs/dbraw/zinc/13/57/22/1078135722.db2.gz IUBHPRQVWBMCOJ-MRXNPFEDSA-N 0 3 412.556 0.875 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)CN3CCN(C(=O)CN(C)C)CC3)cc2)CC1 ZINC000917051733 1078190048 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HCADHN CN(C)CCn1nnnc1SCC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000917227781 1078249134 /nfs/dbraw/zinc/24/91/34/1078249134.db2.gz DFHCAJRZZVVFAF-UHFFFAOYSA-N 0 3 403.512 0.770 20 0 HCADHN CN1CCC2(CC1)NC(=O)N(CN1CCCc3cc(S(C)(=O)=O)ccc31)C2=O ZINC000917431415 1078289785 /nfs/dbraw/zinc/28/97/85/1078289785.db2.gz KDEKJFVWHGCOEH-UHFFFAOYSA-N 0 3 406.508 0.816 20 0 HCADHN COc1ccccc1C(=O)N1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC000917451427 1078293284 /nfs/dbraw/zinc/29/32/84/1078293284.db2.gz XMDPDSZFKUQXRT-UHFFFAOYSA-N 0 3 415.494 0.427 20 0 HCADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)c3cccc(F)c3)CC1)C2=O ZINC000917451999 1078293567 /nfs/dbraw/zinc/29/35/67/1078293567.db2.gz OGHXWUDQDIEWTL-UHFFFAOYSA-N 0 3 403.458 0.557 20 0 HCADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)c3ccc(F)c(F)c3)CC1)C2=O ZINC000917453002 1078293534 /nfs/dbraw/zinc/29/35/34/1078293534.db2.gz GWXFMZQVUCAORJ-UHFFFAOYSA-N 0 3 421.448 0.696 20 0 HCADHN CCc1ccc(C(=O)N2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)cc1 ZINC000917453735 1078293542 /nfs/dbraw/zinc/29/35/42/1078293542.db2.gz MXPHDILQGUDWNK-UHFFFAOYSA-N 0 3 413.522 0.981 20 0 HCADHN Cc1ccc(C(=O)N2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)cc1F ZINC000917477171 1078294315 /nfs/dbraw/zinc/29/43/15/1078294315.db2.gz DTRNYGDLRZNDDT-UHFFFAOYSA-N 0 3 417.485 0.866 20 0 HCADHN C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(CC3CC3)CC2)C1=O ZINC000917479931 1078294614 /nfs/dbraw/zinc/29/46/14/1078294614.db2.gz XLFMHFZMEAJUOP-FQEVSTJZSA-N 0 3 420.535 0.842 20 0 HCADHN C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(CC3CC3)CC2)C1=O ZINC000917479938 1078294567 /nfs/dbraw/zinc/29/45/67/1078294567.db2.gz XLFMHFZMEAJUOP-HXUWFJFHSA-N 0 3 420.535 0.842 20 0 HCADHN CN1CCC2(CC1)NC(=O)N(CN1CCCN(C(=O)c3ccsc3)CC1)C2=O ZINC000917488769 1078299149 /nfs/dbraw/zinc/29/91/49/1078299149.db2.gz XQRVACUHLDADGG-UHFFFAOYSA-N 0 3 405.524 0.870 20 0 HCADHN Cc1ccc(C(=O)N2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)s1 ZINC000917620268 1078314911 /nfs/dbraw/zinc/31/49/11/1078314911.db2.gz XKPSFAACPBQKGD-UHFFFAOYSA-N 0 3 405.524 0.788 20 0 HCADHN CC(C)N1C(=O)c2ccc(C(=O)NCCCN3CCN(C)CC3)cc2S1(=O)=O ZINC000917623348 1078315281 /nfs/dbraw/zinc/31/52/81/1078315281.db2.gz YCOZYSANTNBFKZ-UHFFFAOYSA-N 0 3 408.524 0.607 20 0 HCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)cc1 ZINC000917657279 1078320619 /nfs/dbraw/zinc/32/06/19/1078320619.db2.gz XGHFJAFIVCIAGJ-UHFFFAOYSA-N 0 3 418.585 0.241 20 0 HCADHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(CCN3C(=O)CCC3=O)C2)CC1 ZINC000918022975 1078356751 /nfs/dbraw/zinc/35/67/51/1078356751.db2.gz HBERZINNHAXLGW-INIZCTEOSA-N 0 3 422.526 0.927 20 0 HCADHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(CCN3C(=O)CCC3=O)C2)CC1 ZINC000918022976 1078356812 /nfs/dbraw/zinc/35/68/12/1078356812.db2.gz HBERZINNHAXLGW-MRXNPFEDSA-N 0 3 422.526 0.927 20 0 HCADHN CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(C(N)=O)c1 ZINC000918190235 1078371081 /nfs/dbraw/zinc/37/10/81/1078371081.db2.gz VWXCFZCOCZISDP-UHFFFAOYSA-N 0 3 418.519 0.614 20 0 HCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 ZINC000918249693 1078376192 /nfs/dbraw/zinc/37/61/92/1078376192.db2.gz JNNTUEGJIDSUDC-UHFFFAOYSA-N 0 3 411.506 0.589 20 0 HCADHN Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cn1 ZINC000918253786 1078376690 /nfs/dbraw/zinc/37/66/90/1078376690.db2.gz ZHOLSUHCFKMNJV-GOSISDBHSA-N 0 3 413.526 0.902 20 0 HCADHN Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cn1 ZINC000918253788 1078376628 /nfs/dbraw/zinc/37/66/28/1078376628.db2.gz ZHOLSUHCFKMNJV-SFHVURJKSA-N 0 3 413.526 0.902 20 0 HCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918259573 1078377628 /nfs/dbraw/zinc/37/76/28/1078377628.db2.gz IMHFXQHPVVTCJI-HNNXBMFYSA-N 0 3 422.551 0.817 20 0 HCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918259574 1078377581 /nfs/dbraw/zinc/37/75/81/1078377581.db2.gz IMHFXQHPVVTCJI-OAHLLOKOSA-N 0 3 422.551 0.817 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)N1CCCC1 ZINC000918259768 1078377707 /nfs/dbraw/zinc/37/77/07/1078377707.db2.gz ACYZSYNQPCQYNI-AWEZNQCLSA-N 0 3 408.524 0.427 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)N1CCCC1 ZINC000918259769 1078377594 /nfs/dbraw/zinc/37/75/94/1078377594.db2.gz ACYZSYNQPCQYNI-CQSZACIVSA-N 0 3 408.524 0.427 20 0 HCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 ZINC000918259972 1078377606 /nfs/dbraw/zinc/37/76/06/1078377606.db2.gz LBWICSBAHAEKEQ-HNNXBMFYSA-N 0 3 422.551 0.674 20 0 HCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 ZINC000918259974 1078377689 /nfs/dbraw/zinc/37/76/89/1078377689.db2.gz LBWICSBAHAEKEQ-OAHLLOKOSA-N 0 3 422.551 0.674 20 0 HCADHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCN1CCCCCC1 ZINC000918260379 1078377956 /nfs/dbraw/zinc/37/79/56/1078377956.db2.gz MYOCJPFXPYCILX-UHFFFAOYSA-N 0 3 422.551 0.818 20 0 HCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000918260383 1078377979 /nfs/dbraw/zinc/37/79/79/1078377979.db2.gz NAJPDCHBWJRWQX-UHFFFAOYSA-N 0 3 403.483 0.726 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)CC1 ZINC000918260464 1078377936 /nfs/dbraw/zinc/37/79/36/1078377936.db2.gz PARGWSGWGOYLCT-UHFFFAOYSA-N 0 3 409.918 0.734 20 0 HCADHN C[C@H]1CCCCN1CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918260497 1078377922 /nfs/dbraw/zinc/37/79/22/1078377922.db2.gz IREGHPBIPBFNGO-HNNXBMFYSA-N 0 3 422.551 0.817 20 0 HCADHN C[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918260498 1078378003 /nfs/dbraw/zinc/37/80/03/1078378003.db2.gz IREGHPBIPBFNGO-OAHLLOKOSA-N 0 3 422.551 0.817 20 0 HCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000918260755 1078377946 /nfs/dbraw/zinc/37/79/46/1078377946.db2.gz KWLIAMNAAKLYSX-HNNXBMFYSA-N 0 3 403.483 0.724 20 0 HCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000918260756 1078377901 /nfs/dbraw/zinc/37/79/01/1078377901.db2.gz KWLIAMNAAKLYSX-OAHLLOKOSA-N 0 3 403.483 0.724 20 0 HCADHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000918260847 1078377912 /nfs/dbraw/zinc/37/79/12/1078377912.db2.gz MJVPAFRPMZNSAW-IBGZPJMESA-N 0 3 420.473 0.741 20 0 HCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 ZINC000918261238 1078377990 /nfs/dbraw/zinc/37/79/90/1078377990.db2.gz VDYYGPQEZPZWFH-UHFFFAOYSA-N 0 3 411.506 0.589 20 0 HCADHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000918261485 1078378190 /nfs/dbraw/zinc/37/81/90/1078378190.db2.gz RJEKSIWTBRBECD-SFHVURJKSA-N 0 3 421.461 0.136 20 0 HCADHN CC1CCN(CCNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 ZINC000918262007 1078378413 /nfs/dbraw/zinc/37/84/13/1078378413.db2.gz WDXNHNXRRPJAGO-UHFFFAOYSA-N 0 3 422.551 0.674 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc2)CC1 ZINC000918273014 1078380207 /nfs/dbraw/zinc/38/02/07/1078380207.db2.gz YJRRDEFQMJZSKI-UHFFFAOYSA-N 0 3 415.416 0.562 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918285834 1078381465 /nfs/dbraw/zinc/38/14/65/1078381465.db2.gz QYRLGRMKMWEHLS-KRWDZBQOSA-N 0 3 408.524 0.413 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918285835 1078381560 /nfs/dbraw/zinc/38/15/60/1078381560.db2.gz QYRLGRMKMWEHLS-QGZVFWFLSA-N 0 3 408.524 0.413 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000918290276 1078382456 /nfs/dbraw/zinc/38/24/56/1078382456.db2.gz SUANLYPSOKXDSC-UHFFFAOYSA-N 0 3 423.521 0.906 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000918299839 1078386367 /nfs/dbraw/zinc/38/63/67/1078386367.db2.gz LJSLOKWNNCYNBG-UHFFFAOYSA-N 0 3 413.522 0.848 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC(C(=O)NC)CC3)cc2)CC1 ZINC000918315267 1078385524 /nfs/dbraw/zinc/38/55/24/1078385524.db2.gz ANVYWEJNZGAWDO-UHFFFAOYSA-N 0 3 401.511 0.752 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCCN(C(C)=O)CC3)cc2)CC1 ZINC000918316103 1078385484 /nfs/dbraw/zinc/38/54/84/1078385484.db2.gz KDCROECATAPCHQ-UHFFFAOYSA-N 0 3 401.511 0.848 20 0 HCADHN COc1cccc(CN2CCC(NC(=O)Cn3cnc4c(cnn4C)c3=O)CC2)c1 ZINC000918350099 1078393120 /nfs/dbraw/zinc/39/31/20/1078393120.db2.gz BGFUQSNXTAFMHA-UHFFFAOYSA-N 0 3 410.478 0.919 20 0 HCADHN COc1cccc(CN2CCC(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000918354294 1078393861 /nfs/dbraw/zinc/39/38/61/1078393861.db2.gz CCWBTHHBAKGBCE-GOSISDBHSA-N 0 3 409.552 0.895 20 0 HCADHN COc1cccc(CN2CCC(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000918354296 1078393901 /nfs/dbraw/zinc/39/39/01/1078393901.db2.gz CCWBTHHBAKGBCE-SFHVURJKSA-N 0 3 409.552 0.895 20 0 HCADHN COc1cccc(CN2CCC(NC(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000918355684 1078394040 /nfs/dbraw/zinc/39/40/40/1078394040.db2.gz UMIFZEITCOLDGE-UHFFFAOYSA-N 0 3 421.523 0.488 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000918400877 1078405846 /nfs/dbraw/zinc/40/58/46/1078405846.db2.gz OELTYNHFMWMZKX-UHFFFAOYSA-N 0 3 423.521 0.906 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)Cc3nnc4n3CCC4)cc2)CC1 ZINC000918401249 1078406405 /nfs/dbraw/zinc/40/64/05/1078406405.db2.gz HGACPWUZXDNJBD-UHFFFAOYSA-N 0 3 411.510 0.963 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)COC)CC3)cc2)CC1 ZINC000918410432 1078411347 /nfs/dbraw/zinc/41/13/47/1078411347.db2.gz YZZYLVJSBBFGPE-UHFFFAOYSA-N 0 3 417.510 0.084 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)N(C)C)CC3)cc2)CC1 ZINC000918419858 1078419325 /nfs/dbraw/zinc/41/93/25/1078419325.db2.gz NNOCFQMJOIAFLN-UHFFFAOYSA-N 0 3 416.526 0.593 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](NC(C)=O)C3)cc2)CC1 ZINC000918423068 1078421012 /nfs/dbraw/zinc/42/10/12/1078421012.db2.gz CBKZVVRYGXNVCH-GOSISDBHSA-N 0 3 401.511 0.894 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](NC(C)=O)C3)cc2)CC1 ZINC000918423069 1078420970 /nfs/dbraw/zinc/42/09/70/1078420970.db2.gz CBKZVVRYGXNVCH-SFHVURJKSA-N 0 3 401.511 0.894 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)COCC(C)C)cc2)CC1 ZINC000918423272 1078420576 /nfs/dbraw/zinc/42/05/76/1078420576.db2.gz KDQDQWOKWKTPNK-IBGZPJMESA-N 0 3 406.527 0.917 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)COCC(C)C)cc2)CC1 ZINC000918423276 1078420552 /nfs/dbraw/zinc/42/05/52/1078420552.db2.gz KDQDQWOKWKTPNK-LJQANCHMSA-N 0 3 406.527 0.917 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC(CC(N)=O)CC3)cc2)CC1 ZINC000918431203 1078415089 /nfs/dbraw/zinc/41/50/89/1078415089.db2.gz PLZRWGXXSVOZTN-UHFFFAOYSA-N 0 3 401.511 0.881 20 0 HCADHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918433303 1078415808 /nfs/dbraw/zinc/41/58/08/1078415808.db2.gz CULOJBPNFILOAV-INIZCTEOSA-N 0 3 424.567 0.919 20 0 HCADHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918433304 1078415826 /nfs/dbraw/zinc/41/58/26/1078415826.db2.gz CULOJBPNFILOAV-MRXNPFEDSA-N 0 3 424.567 0.919 20 0 HCADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cc1 ZINC000918434546 1078416318 /nfs/dbraw/zinc/41/63/18/1078416318.db2.gz NHFFSRIBYHTHKW-HNNXBMFYSA-N 0 3 414.528 0.900 20 0 HCADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000918434547 1078416613 /nfs/dbraw/zinc/41/66/13/1078416613.db2.gz NHFFSRIBYHTHKW-OAHLLOKOSA-N 0 3 414.528 0.900 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC3(C(N)=O)CCOCC3)cc2)CC1 ZINC000918436593 1078418698 /nfs/dbraw/zinc/41/86/98/1078418698.db2.gz MYRPXKGJXPMQFN-UHFFFAOYSA-N 0 3 417.510 0.165 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cnn(CC(=O)NC)c3)cc2)CC1 ZINC000918451554 1078427622 /nfs/dbraw/zinc/42/76/22/1078427622.db2.gz AXVQJCGUYHVXLC-UHFFFAOYSA-N 0 3 413.482 0.348 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)OC)CC3)cc2)CC1 ZINC000918453321 1078428540 /nfs/dbraw/zinc/42/85/40/1078428540.db2.gz OLNZMDLDTQWPTD-UHFFFAOYSA-N 0 3 403.483 0.678 20 0 HCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)OC)CC3)cc2)CC1 ZINC000918453876 1078428882 /nfs/dbraw/zinc/42/88/82/1078428882.db2.gz WCEMUVHGGUBLHD-UHFFFAOYSA-N 0 3 417.510 0.673 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)OC)CC3)c(C)c2)CC1 ZINC000918453922 1078428887 /nfs/dbraw/zinc/42/88/87/1078428887.db2.gz YFMPUDGHAABVKZ-UHFFFAOYSA-N 0 3 417.510 0.986 20 0 HCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000918464657 1078434959 /nfs/dbraw/zinc/43/49/59/1078434959.db2.gz DRHFRYIJAARFNF-HNNXBMFYSA-N 0 3 418.494 0.447 20 0 HCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000918464661 1078434929 /nfs/dbraw/zinc/43/49/29/1078434929.db2.gz DRHFRYIJAARFNF-OAHLLOKOSA-N 0 3 418.494 0.447 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000918465091 1078434866 /nfs/dbraw/zinc/43/48/66/1078434866.db2.gz JXSUAZBGEOUISJ-HNNXBMFYSA-N 0 3 418.494 0.909 20 0 HCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000918465093 1078434951 /nfs/dbraw/zinc/43/49/51/1078434951.db2.gz JXSUAZBGEOUISJ-OAHLLOKOSA-N 0 3 418.494 0.909 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000918465695 1078436047 /nfs/dbraw/zinc/43/60/47/1078436047.db2.gz QQJQMUAPESPZTO-AWEZNQCLSA-N 0 3 404.467 0.519 20 0 HCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000918465696 1078436343 /nfs/dbraw/zinc/43/63/43/1078436343.db2.gz QQJQMUAPESPZTO-CQSZACIVSA-N 0 3 404.467 0.519 20 0 HCADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000918466721 1078436571 /nfs/dbraw/zinc/43/65/71/1078436571.db2.gz BEHAFXPXPMQVOK-AWEZNQCLSA-N 0 3 412.512 0.798 20 0 HCADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000918466722 1078436654 /nfs/dbraw/zinc/43/66/54/1078436654.db2.gz BEHAFXPXPMQVOK-CQSZACIVSA-N 0 3 412.512 0.798 20 0 HCADHN C[C@@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)N1CCCCC1 ZINC000918467032 1078436693 /nfs/dbraw/zinc/43/66/93/1078436693.db2.gz GAYJFKJABIQAMT-HNNXBMFYSA-N 0 3 422.551 0.817 20 0 HCADHN C[C@H](CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)N1CCCCC1 ZINC000918467033 1078436590 /nfs/dbraw/zinc/43/65/90/1078436590.db2.gz GAYJFKJABIQAMT-OAHLLOKOSA-N 0 3 422.551 0.817 20 0 HCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000918468582 1078436906 /nfs/dbraw/zinc/43/69/06/1078436906.db2.gz LRMLCCUNZCTUGF-IBGZPJMESA-N 0 3 423.517 0.850 20 0 HCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000918468588 1078436909 /nfs/dbraw/zinc/43/69/09/1078436909.db2.gz LRMLCCUNZCTUGF-LJQANCHMSA-N 0 3 423.517 0.850 20 0 HCADHN CN1CCN(CCCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000918556170 1078461313 /nfs/dbraw/zinc/46/13/13/1078461313.db2.gz KOVQEKOSRBAKEA-UHFFFAOYSA-N 0 3 406.508 0.361 20 0 HCADHN O=C(NCCN1CCCC1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000918556839 1078461604 /nfs/dbraw/zinc/46/16/04/1078461604.db2.gz ONQXGRURDHPJBD-HNNXBMFYSA-N 0 3 407.492 0.836 20 0 HCADHN O=C(NCCN1CCCC1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000918556840 1078461587 /nfs/dbraw/zinc/46/15/87/1078461587.db2.gz ONQXGRURDHPJBD-OAHLLOKOSA-N 0 3 407.492 0.836 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 ZINC000918576764 1078469818 /nfs/dbraw/zinc/46/98/18/1078469818.db2.gz ADKNERDAHZMWPQ-HNNXBMFYSA-N 0 3 415.494 0.716 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 ZINC000918576765 1078469917 /nfs/dbraw/zinc/46/99/17/1078469917.db2.gz ADKNERDAHZMWPQ-OAHLLOKOSA-N 0 3 415.494 0.716 20 0 HCADHN COC(=O)C1CCN(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000918578253 1078470129 /nfs/dbraw/zinc/47/01/29/1078470129.db2.gz TZQHEPUSJJYLKR-UHFFFAOYSA-N 0 3 423.491 0.222 20 0 HCADHN CCN1CCN(CC(=O)NC2CCN(Cc3cccc(OC)c3)CC2)C(=O)C1=O ZINC000918653618 1078525086 /nfs/dbraw/zinc/52/50/86/1078525086.db2.gz NIUGCMYZFKFFIM-UHFFFAOYSA-N 0 3 402.495 0.467 20 0 HCADHN COc1cccc(CN2CCC(NC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)CC2)c1 ZINC000918653623 1078525123 /nfs/dbraw/zinc/52/51/23/1078525123.db2.gz ODMGRZZYPXKODA-FPLPWBNLSA-N 0 3 412.490 0.887 20 0 HCADHN COc1cccc(CN2CCC(NC(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c1 ZINC000918654006 1078532151 /nfs/dbraw/zinc/53/21/51/1078532151.db2.gz UFPYZEAUBQZPMX-UHFFFAOYSA-N 0 3 410.540 0.691 20 0 HCADHN CN1CCN(Cc2ccc(CNC(=O)CS[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918696466 1078542940 /nfs/dbraw/zinc/54/29/40/1078542940.db2.gz UTCQSRSGACNBLP-GOSISDBHSA-N 0 3 411.593 0.971 20 0 HCADHN CN1CCN(Cc2ccc(CNC(=O)CS[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918696467 1078543274 /nfs/dbraw/zinc/54/32/74/1078543274.db2.gz UTCQSRSGACNBLP-SFHVURJKSA-N 0 3 411.593 0.971 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1 ZINC000918698114 1078544534 /nfs/dbraw/zinc/54/45/34/1078544534.db2.gz AMMNPVVXLSZEKY-INIZCTEOSA-N 0 3 412.556 0.872 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1 ZINC000918698115 1078544712 /nfs/dbraw/zinc/54/47/12/1078544712.db2.gz AMMNPVVXLSZEKY-MRXNPFEDSA-N 0 3 412.556 0.872 20 0 HCADHN C[C@@H](CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)CN1CCN(C)CC1 ZINC000918698406 1078544432 /nfs/dbraw/zinc/54/44/32/1078544432.db2.gz DGFILTICSDGVKB-AOMKIAJQSA-N 0 3 413.522 0.380 20 0 HCADHN C[C@@H](CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)CN1CCN(C)CC1 ZINC000918698409 1078544751 /nfs/dbraw/zinc/54/47/51/1078544751.db2.gz DGFILTICSDGVKB-KSFYIVLOSA-N 0 3 413.522 0.380 20 0 HCADHN C[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)CN1CCN(C)CC1 ZINC000918698412 1078544368 /nfs/dbraw/zinc/54/43/68/1078544368.db2.gz DGFILTICSDGVKB-OPAMFIHVSA-N 0 3 413.522 0.380 20 0 HCADHN C[C@H](CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)CN1CCN(C)CC1 ZINC000918698415 1078544399 /nfs/dbraw/zinc/54/43/99/1078544399.db2.gz DGFILTICSDGVKB-ZHRRBRCNSA-N 0 3 413.522 0.380 20 0 HCADHN C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)CN1CCN(C)CC1 ZINC000918698418 1078544341 /nfs/dbraw/zinc/54/43/41/1078544341.db2.gz DHRUUMJTHRFLLI-HRAATJIYSA-N 0 3 401.511 0.453 20 0 HCADHN C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)CN1CCN(C)CC1 ZINC000918698421 1078544623 /nfs/dbraw/zinc/54/46/23/1078544623.db2.gz DHRUUMJTHRFLLI-IERDGZPVSA-N 0 3 401.511 0.453 20 0 HCADHN C[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)CN1CCN(C)CC1 ZINC000918698423 1078544503 /nfs/dbraw/zinc/54/45/03/1078544503.db2.gz DHRUUMJTHRFLLI-IIBYNOLFSA-N 0 3 401.511 0.453 20 0 HCADHN C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)CN1CCN(C)CC1 ZINC000918698424 1078544571 /nfs/dbraw/zinc/54/45/71/1078544571.db2.gz DHRUUMJTHRFLLI-KKSFZXQISA-N 0 3 401.511 0.453 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000918698452 1078544686 /nfs/dbraw/zinc/54/46/86/1078544686.db2.gz DXFQIVNQVFNHRB-HTAPYJJXSA-N 0 3 415.538 0.843 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000918698453 1078544598 /nfs/dbraw/zinc/54/45/98/1078544598.db2.gz DXFQIVNQVFNHRB-JTSKRJEESA-N 0 3 415.538 0.843 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000918698454 1078545402 /nfs/dbraw/zinc/54/54/02/1078545402.db2.gz DXFQIVNQVFNHRB-VGOFRKELSA-N 0 3 415.538 0.843 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000918698456 1078545057 /nfs/dbraw/zinc/54/50/57/1078545057.db2.gz DXFQIVNQVFNHRB-VGSWGCGISA-N 0 3 415.538 0.843 20 0 HCADHN C[C@@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)CN1CCN(C)CC1 ZINC000918698496 1078545475 /nfs/dbraw/zinc/54/54/75/1078545475.db2.gz GIKPVAQVFRNYRA-HNNXBMFYSA-N 0 3 407.540 0.067 20 0 HCADHN C[C@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)CN1CCN(C)CC1 ZINC000918698497 1078545113 /nfs/dbraw/zinc/54/51/13/1078545113.db2.gz GIKPVAQVFRNYRA-OAHLLOKOSA-N 0 3 407.540 0.067 20 0 HCADHN CCN1CCN(C[C@@H](C)CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000918698795 1078545455 /nfs/dbraw/zinc/54/54/55/1078545455.db2.gz IWRMZPJASNDEAT-INIZCTEOSA-N 0 3 421.567 0.457 20 0 HCADHN CCN1CCN(C[C@H](C)CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000918698796 1078545348 /nfs/dbraw/zinc/54/53/48/1078545348.db2.gz IWRMZPJASNDEAT-MRXNPFEDSA-N 0 3 421.567 0.457 20 0 HCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000918699274 1078545434 /nfs/dbraw/zinc/54/54/34/1078545434.db2.gz OTFLRFSPOYYGJO-CYBMUJFWSA-N 0 3 402.948 0.861 20 0 HCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000918699275 1078545203 /nfs/dbraw/zinc/54/52/03/1078545203.db2.gz OTFLRFSPOYYGJO-ZDUSSCGKSA-N 0 3 402.948 0.861 20 0 HCADHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000918699284 1078545371 /nfs/dbraw/zinc/54/53/71/1078545371.db2.gz PMYDJKXXYAYHBG-HTAPYJJXSA-N 0 3 415.538 0.762 20 0 HCADHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000918699285 1078545264 /nfs/dbraw/zinc/54/52/64/1078545264.db2.gz PMYDJKXXYAYHBG-JTSKRJEESA-N 0 3 415.538 0.762 20 0 HCADHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000918699286 1078545087 /nfs/dbraw/zinc/54/50/87/1078545087.db2.gz PMYDJKXXYAYHBG-VGOFRKELSA-N 0 3 415.538 0.762 20 0 HCADHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000918699287 1078545291 /nfs/dbraw/zinc/54/52/91/1078545291.db2.gz PMYDJKXXYAYHBG-VGSWGCGISA-N 0 3 415.538 0.762 20 0 HCADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)n(C)c1 ZINC000918699362 1078545033 /nfs/dbraw/zinc/54/50/33/1078545033.db2.gz RCBAVLZYENOKJY-INIZCTEOSA-N 0 3 413.588 0.669 20 0 HCADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)n(C)c1 ZINC000918699364 1078545320 /nfs/dbraw/zinc/54/53/20/1078545320.db2.gz RCBAVLZYENOKJY-MRXNPFEDSA-N 0 3 413.588 0.669 20 0 HCADHN C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)CN1CCN(C)CC1 ZINC000918699635 1078545239 /nfs/dbraw/zinc/54/52/39/1078545239.db2.gz VDJOXWUYCZFYAC-BTYIYWSLSA-N 0 3 419.501 0.592 20 0 HCADHN C[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)CN1CCN(C)CC1 ZINC000918699638 1078545179 /nfs/dbraw/zinc/54/51/79/1078545179.db2.gz VDJOXWUYCZFYAC-QVKFZJNVSA-N 0 3 419.501 0.592 20 0 HCADHN C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)CN1CCN(C)CC1 ZINC000918699641 1078545821 /nfs/dbraw/zinc/54/58/21/1078545821.db2.gz VDJOXWUYCZFYAC-VFNWGFHPSA-N 0 3 419.501 0.592 20 0 HCADHN C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)CN1CCN(C)CC1 ZINC000918699643 1078545925 /nfs/dbraw/zinc/54/59/25/1078545925.db2.gz VDJOXWUYCZFYAC-YCRPNKLZSA-N 0 3 419.501 0.592 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)o1 ZINC000918705898 1078548233 /nfs/dbraw/zinc/54/82/33/1078548233.db2.gz MWCBPYYEKXPAKB-HNNXBMFYSA-N 0 3 424.523 0.644 20 0 HCADHN Cc1ccc(CN(CCN(C)C)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)o1 ZINC000918705900 1078548138 /nfs/dbraw/zinc/54/81/38/1078548138.db2.gz MWCBPYYEKXPAKB-OAHLLOKOSA-N 0 3 424.523 0.644 20 0 HCADHN CN(C)C(=O)CNC(=S)NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000918716943 1078554593 /nfs/dbraw/zinc/55/45/93/1078554593.db2.gz GHXQZIAOGCSIQO-UHFFFAOYSA-N 0 3 408.597 0.582 20 0 HCADHN CC(C)N(CCN(C(=S)NCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000918717478 1078554405 /nfs/dbraw/zinc/55/44/05/1078554405.db2.gz XUCRQGTVYVOIHV-HNNXBMFYSA-N 0 3 406.618 0.557 20 0 HCADHN CC(C)N(CCN(C(=S)NCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000918717479 1078554551 /nfs/dbraw/zinc/55/45/51/1078554551.db2.gz XUCRQGTVYVOIHV-OAHLLOKOSA-N 0 3 406.618 0.557 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN2C(=O)CCC2=O)CC1 ZINC000918842507 1078600312 /nfs/dbraw/zinc/60/03/12/1078600312.db2.gz UGLCHRJNPUYNPB-UHFFFAOYSA-N 0 3 401.463 0.722 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000918989240 1078698424 /nfs/dbraw/zinc/69/84/24/1078698424.db2.gz CLTLROLKEXTAFO-KRWDZBQOSA-N 0 3 416.478 0.561 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000918989243 1078698397 /nfs/dbraw/zinc/69/83/97/1078698397.db2.gz CLTLROLKEXTAFO-QGZVFWFLSA-N 0 3 416.478 0.561 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000919019431 1078705840 /nfs/dbraw/zinc/70/58/40/1078705840.db2.gz ZSCMDIQIWBVHFO-UHFFFAOYSA-N 0 3 416.478 0.467 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CCNS(C)(=O)=O)CC1 ZINC000919073558 1078725097 /nfs/dbraw/zinc/72/50/97/1078725097.db2.gz DECOAEALAUXAET-UHFFFAOYSA-N 0 3 411.524 0.512 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN(C)S(C)(=O)=O)CC1 ZINC000919083272 1078729973 /nfs/dbraw/zinc/72/99/73/1078729973.db2.gz MPKOJMNRXPFZSO-UHFFFAOYSA-N 0 3 411.524 0.464 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN2CCCNC2=O)CC1 ZINC000919109157 1078742131 /nfs/dbraw/zinc/74/21/31/1078742131.db2.gz IGNJFYQMWBEXAX-UHFFFAOYSA-N 0 3 402.495 0.988 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3nc4ncccn4n3)cc2)CC1 ZINC000919144769 1078757562 /nfs/dbraw/zinc/75/75/62/1078757562.db2.gz XODIZNSVSOMWRZ-UHFFFAOYSA-N 0 3 423.477 0.991 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H](C)N3C(=O)CCC3=O)cc2)CC1 ZINC000919260080 1078800111 /nfs/dbraw/zinc/80/01/11/1078800111.db2.gz KDHQQGJJSYBBFO-HNNXBMFYSA-N 0 3 416.478 0.848 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H](C)N3C(=O)CCC3=O)cc2)CC1 ZINC000919260083 1078800073 /nfs/dbraw/zinc/80/00/73/1078800073.db2.gz KDHQQGJJSYBBFO-OAHLLOKOSA-N 0 3 416.478 0.848 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CN3CCCS3(=O)=O)cc2)CC1 ZINC000919358183 1078840785 /nfs/dbraw/zinc/84/07/85/1078840785.db2.gz AYBSUHBPQCJMMP-UHFFFAOYSA-N 0 3 424.523 0.346 20 0 HCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN2CCCS2(=O)=O)CC1 ZINC000919360125 1078842127 /nfs/dbraw/zinc/84/21/27/1078842127.db2.gz GZAFFJIOBGACCD-UHFFFAOYSA-N 0 3 423.535 0.608 20 0 HCADHN CCN1CCC[C@H](NC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000919656934 1078943225 /nfs/dbraw/zinc/94/32/25/1078943225.db2.gz JHKWYHPHMGPLHI-HNNXBMFYSA-N 0 3 405.524 0.947 20 0 HCADHN CCN1CCC[C@@H](NC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000919656935 1078943115 /nfs/dbraw/zinc/94/31/15/1078943115.db2.gz JHKWYHPHMGPLHI-OAHLLOKOSA-N 0 3 405.524 0.947 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)cc2)CC1 ZINC000919691386 1078959311 /nfs/dbraw/zinc/95/93/11/1078959311.db2.gz QOLZALGGXJWABG-UHFFFAOYSA-N 0 3 424.505 0.970 20 0 HCADHN CN1CCN(CCCCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000919713221 1078966107 /nfs/dbraw/zinc/96/61/07/1078966107.db2.gz RSLGPKBGJWTYAK-UHFFFAOYSA-N 0 3 420.535 0.751 20 0 HCADHN CCN1C(=O)c2ccc(C(=O)NCCCCN3CCN(C)CC3)cc2S1(=O)=O ZINC000919713301 1078966312 /nfs/dbraw/zinc/96/63/12/1078966312.db2.gz VZLKSPRXDHEFBL-UHFFFAOYSA-N 0 3 408.524 0.608 20 0 HCADHN CCN1C(=O)c2ccc(C(=O)NCCCN3CCN(CC)CC3)cc2S1(=O)=O ZINC000919713756 1078966384 /nfs/dbraw/zinc/96/63/84/1078966384.db2.gz GQQFZFIAORLSEU-UHFFFAOYSA-N 0 3 408.524 0.608 20 0 HCADHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000919713974 1078966264 /nfs/dbraw/zinc/96/62/64/1078966264.db2.gz NXILDCBQICHNJC-UHFFFAOYSA-N 0 3 420.535 0.751 20 0 HCADHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000919846699 1079029034 /nfs/dbraw/zinc/02/90/34/1079029034.db2.gz SIQUBUSJVNTNFV-UHFFFAOYSA-N 0 3 411.506 0.822 20 0 HCADHN CN1CCN(c2ccncc2NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000919861023 1079032697 /nfs/dbraw/zinc/03/26/97/1079032697.db2.gz NQWGOXBSIOKHFV-IBGZPJMESA-N 0 3 407.478 0.892 20 0 HCADHN CN1CCN(c2ccncc2NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 ZINC000919861026 1079032579 /nfs/dbraw/zinc/03/25/79/1079032579.db2.gz NQWGOXBSIOKHFV-LJQANCHMSA-N 0 3 407.478 0.892 20 0 HCADHN CN1CCN(c2ccncc2NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000919861126 1079032561 /nfs/dbraw/zinc/03/25/61/1079032561.db2.gz OEUZMHPSYGCZJO-UHFFFAOYSA-N 0 3 415.475 0.617 20 0 HCADHN CCn1c(=O)c2ccccc2n(CC(=O)Nc2cnccc2N2CCN(C)CC2)c1=O ZINC000919861157 1079032708 /nfs/dbraw/zinc/03/27/08/1079032708.db2.gz PLQZYGOSZBQSDP-UHFFFAOYSA-N 0 3 422.489 0.969 20 0 HCADHN CN1CCN(c2ccncc2NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000919861384 1079032633 /nfs/dbraw/zinc/03/26/33/1079032633.db2.gz UKFGCVYVFSHKCI-UHFFFAOYSA-N 0 3 402.480 0.270 20 0 HCADHN CN1CCN(CCCCNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000919944359 1079052309 /nfs/dbraw/zinc/05/23/09/1079052309.db2.gz SRFQNWQDBIPPLW-UHFFFAOYSA-N 0 3 407.533 0.535 20 0 HCADHN CN1CCC2(CC1)NC(=O)N(CN1CCC(NC(=O)c3ccsc3)CC1)C2=O ZINC000919957244 1079055455 /nfs/dbraw/zinc/05/54/55/1079055455.db2.gz VOSOVVNVZMIVCW-UHFFFAOYSA-N 0 3 405.524 0.916 20 0 HCADHN Cc1cc(C(=O)N2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)c(C)o1 ZINC000920086936 1079105917 /nfs/dbraw/zinc/10/59/17/1079105917.db2.gz PUCPMUBTHNBEFC-UHFFFAOYSA-N 0 3 403.483 0.628 20 0 HCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCCCC1 ZINC000920193474 1079132091 /nfs/dbraw/zinc/13/20/91/1079132091.db2.gz BDMMPCKBFWWEKA-INIZCTEOSA-N 0 3 422.551 0.851 20 0 HCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCCCC1 ZINC000920193475 1079132230 /nfs/dbraw/zinc/13/22/30/1079132230.db2.gz BDMMPCKBFWWEKA-MRXNPFEDSA-N 0 3 422.551 0.851 20 0 HCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000920196298 1079132061 /nfs/dbraw/zinc/13/20/61/1079132061.db2.gz HDQGLWIEIIJVTL-CVEARBPZSA-N 0 3 401.511 0.798 20 0 HCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000920196300 1079132197 /nfs/dbraw/zinc/13/21/97/1079132197.db2.gz HDQGLWIEIIJVTL-HOTGVXAUSA-N 0 3 401.511 0.798 20 0 HCADHN CCN1CCN(c2ccc(NC(=O)CN3CCC(C(=O)NCCO)CC3)cc2)CC1 ZINC000920206563 1079130016 /nfs/dbraw/zinc/13/00/16/1079130016.db2.gz OCIIVCGQTOOMPZ-UHFFFAOYSA-N 0 3 417.554 0.588 20 0 HCADHN CN1CCC(NC(=S)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000920306652 1079145705 /nfs/dbraw/zinc/14/57/05/1079145705.db2.gz GZVAAABTGGRZLK-UHFFFAOYSA-N 0 3 412.581 0.766 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=S)NC2CCN(C)CC2)CC1 ZINC000920306974 1079146267 /nfs/dbraw/zinc/14/62/67/1079146267.db2.gz DANBXHBOISALQL-UHFFFAOYSA-N 0 3 415.585 0.957 20 0 HCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=S)NC2CCN(C)CC2)CC1 ZINC000920306987 1079146188 /nfs/dbraw/zinc/14/61/88/1079146188.db2.gz DGRSXVUREVTYKH-UHFFFAOYSA-N 0 3 401.558 0.566 20 0 HCADHN CN1CCC(NC(=S)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000920307034 1079146320 /nfs/dbraw/zinc/14/63/20/1079146320.db2.gz OYXQBCDJYIQZTN-UHFFFAOYSA-N 0 3 418.610 0.827 20 0 HCADHN CCCCn1c(N)c(N(CCOC)C(=S)NC2CCN(C)CC2)c(=O)[nH]c1=O ZINC000920308051 1079146324 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C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnccc2N(C)C)O1 ZINC001003706142 1081095022 /nfs/dbraw/zinc/09/50/22/1081095022.db2.gz HBIYUONCXKFJGD-FRFIEDCNSA-N 0 3 401.511 0.728 20 0 HCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2occc2CN(C)C)O1 ZINC001003706906 1081095589 /nfs/dbraw/zinc/09/55/89/1081095589.db2.gz XJBNUINLSJJXSN-FXXCCUJSSA-N 0 3 404.511 0.922 20 0 HCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2[nH]nc4c2CCCC4)C3)O1 ZINC001003928212 1081178356 /nfs/dbraw/zinc/17/83/56/1081178356.db2.gz DOQUHAMSRLYOGB-SASKPELWSA-N 0 3 401.511 0.869 20 0 HCADHN COc1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCCO2)c(C)n1 ZINC001078431693 1080415348 /nfs/dbraw/zinc/41/53/48/1080415348.db2.gz XUSMJHARXFMDPE-QKDSSNGWSA-N 0 3 402.495 0.924 20 0 HCADHN COc1ncc(CNC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCCO2)c(C)n1 ZINC001078431694 1080415264 /nfs/dbraw/zinc/41/52/64/1080415264.db2.gz XUSMJHARXFMDPE-WXJALIKYSA-N 0 3 402.495 0.924 20 0 HCADHN COc1coc(CNC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCCO2)cc1=O ZINC001078433335 1080416276 /nfs/dbraw/zinc/41/62/76/1080416276.db2.gz ZKXIIGLYDIGYJV-SHIIKYBRSA-N 0 3 404.463 0.779 20 0 HCADHN COc1coc(CNC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCCO2)cc1=O ZINC001078433336 1080416216 /nfs/dbraw/zinc/41/62/16/1080416216.db2.gz ZKXIIGLYDIGYJV-ZZWCWMLESA-N 0 3 404.463 0.779 20 0 HCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H](n2cc(CNCC3CCOCC3)nn2)C1 ZINC001089587883 1079132176 /nfs/dbraw/zinc/13/21/76/1079132176.db2.gz YEHGMCQOOFMYRG-NADOGSGZSA-N 0 3 401.511 0.991 20 0 HCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H](n2cc(CNCC3CCOCC3)nn2)C1 ZINC001089587884 1079132267 /nfs/dbraw/zinc/13/22/67/1079132267.db2.gz YEHGMCQOOFMYRG-ROMHJBHXSA-N 0 3 401.511 0.991 20 0 HCADHN O=C(N[C@H]1CN(CCn2cncn2)CC2(CCOCC2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001089948594 1080250223 /nfs/dbraw/zinc/25/02/23/1080250223.db2.gz YRYOLFZZSNSKFC-QKDSSNGWSA-N 0 3 401.511 0.689 20 0 HCADHN O=C(N[C@@H]1CN(CCn2cncn2)CC2(CCOCC2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001089948595 1080250819 /nfs/dbraw/zinc/25/08/19/1080250819.db2.gz YRYOLFZZSNSKFC-WXJALIKYSA-N 0 3 401.511 0.689 20 0 HCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](C(F)(F)F)[C@H](NCCN2CCNC2=O)C1 ZINC001099283628 1078050345 /nfs/dbraw/zinc/05/03/45/1078050345.db2.gz HITJOLUWGZEVGG-YPYWCSBCSA-N 0 3 402.417 0.414 20 0 HCADHN Cc1nnc(NC(=O)CNC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)s1 ZINC001106451829 1077824165 /nfs/dbraw/zinc/82/41/65/1077824165.db2.gz GEHGHUWVPRIYET-GVUKAEIUSA-N 0 3 405.524 0.893 20 0 HCADHN CN(CCN1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCC[C@@H]12)S(C)(=O)=O ZINC001107476762 1079356078 /nfs/dbraw/zinc/35/60/78/1079356078.db2.gz NKGFDWKVIBZQOK-HVNSQJPHSA-N 0 3 411.568 0.662 20 0 HCADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cn1 ZINC001127454301 1078651722 /nfs/dbraw/zinc/65/17/22/1078651722.db2.gz LEBDZIPQVFKIMO-DFEOGRTESA-N 0 3 410.540 0.308 20 0 HCADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cn1 ZINC001127454305 1078651966 /nfs/dbraw/zinc/65/19/66/1078651966.db2.gz LEBDZIPQVFKIMO-NTDBWNAOSA-N 0 3 410.540 0.308 20 0 HCADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cn1 ZINC001127454308 1078651929 /nfs/dbraw/zinc/65/19/29/1078651929.db2.gz LEBDZIPQVFKIMO-SFNKJDCFSA-N 0 3 410.540 0.308 20 0 HCADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cn1 ZINC001127454310 1078652164 /nfs/dbraw/zinc/65/21/64/1078652164.db2.gz LEBDZIPQVFKIMO-VUHPKUFZSA-N 0 3 410.540 0.308 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001127763842 1079340394 /nfs/dbraw/zinc/34/03/94/1079340394.db2.gz PZORGMMYKUZLBZ-PBHICJAKSA-N 0 3 403.508 0.768 20 0 HCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001127763843 1079340304 /nfs/dbraw/zinc/34/03/04/1079340304.db2.gz PZORGMMYKUZLBZ-RHSMWYFYSA-N 0 3 403.508 0.768 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001127763844 1079340327 /nfs/dbraw/zinc/34/03/27/1079340327.db2.gz PZORGMMYKUZLBZ-WMLDXEAASA-N 0 3 403.508 0.768 20 0 HCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001127763845 1079340365 /nfs/dbraw/zinc/34/03/65/1079340365.db2.gz PZORGMMYKUZLBZ-YOEHRIQHSA-N 0 3 403.508 0.768 20 0 HCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1(n2cnnn2)CCOCC1 ZINC001128090098 1080232867 /nfs/dbraw/zinc/23/28/67/1080232867.db2.gz CZFYTKSLTNAXLY-GOSISDBHSA-N 0 3 400.483 0.586 20 0 HCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C1(n2cnnn2)CCOCC1 ZINC001128090099 1080233027 /nfs/dbraw/zinc/23/30/27/1080233027.db2.gz CZFYTKSLTNAXLY-SFHVURJKSA-N 0 3 400.483 0.586 20 0 HCADHN CCCN1CCN(c2ccc(NC(=O)Cn3cnc(C(N)=O)n3)c(OCC)c2)CC1 ZINC001128506314 1081341550 /nfs/dbraw/zinc/34/15/50/1081341550.db2.gz QUFXBYDVYLPQDW-UHFFFAOYSA-N 0 3 415.498 0.946 20 0 HCADHN O=C1NCCN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)C12CNC2 ZINC001164411664 718879120 /nfs/dbraw/zinc/87/91/20/718879120.db2.gz QSNBPEPGYVBXEP-GOSISDBHSA-N 0 3 423.880 0.271 20 0 HCADHN O=C1NCCN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)C12CNC2 ZINC001164411665 718878867 /nfs/dbraw/zinc/87/88/67/718878867.db2.gz QSNBPEPGYVBXEP-SFHVURJKSA-N 0 3 423.880 0.271 20 0 HCADHN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCNC(=O)C12CNC2 ZINC001164412255 718878361 /nfs/dbraw/zinc/87/83/61/718878361.db2.gz VAIUJZNHTVLTMQ-UHFFFAOYSA-N 0 3 401.801 0.520 20 0 HCADHN COCCN1CCN(C)C2(CCN(c3ncnc4[nH]c(C(=O)OC)cc43)CC2)C1=O ZINC001164636904 719269360 /nfs/dbraw/zinc/26/93/60/719269360.db2.gz YRMSRUOCPHJBHZ-UHFFFAOYSA-N 0 3 416.482 0.456 20 0 HCADHN COCCN1CCN(C)C2(CCN(c3cccc(N4CCN(C)CC4)n3)CC2)C1=O ZINC001164637904 719277218 /nfs/dbraw/zinc/27/72/18/719277218.db2.gz AXEHHYQBDJVNIC-UHFFFAOYSA-N 0 3 416.570 0.593 20 0 HCADHN CN1CCN(c2ccc(N(Cc3noc4c3CNCC4)c3ncccn3)nn2)CC1 ZINC001164638147 719266977 /nfs/dbraw/zinc/26/69/77/719266977.db2.gz NTDPFPFWONXZIK-UHFFFAOYSA-N 0 3 407.482 0.990 20 0 HCADHN COCCN1CCN(C)C2(CCN(c3cccc(N4CCOCC4)n3)CC2)C1=O ZINC001164642177 719278402 /nfs/dbraw/zinc/27/84/02/719278402.db2.gz XXKOTAOTVAMXGA-UHFFFAOYSA-N 0 3 403.527 0.678 20 0 HCADHN CN1CCN(c2cccc(N(Cc3noc4c3CNCC4)S(C)(=O)=O)n2)CC1 ZINC001164654876 719327346 /nfs/dbraw/zinc/32/73/46/719327346.db2.gz NIUVUUIIOHJGBZ-UHFFFAOYSA-N 0 3 406.512 0.433 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164681777 719702886 /nfs/dbraw/zinc/70/28/86/719702886.db2.gz AMQRWFUABGKGQF-UHFFFAOYSA-N 0 3 404.467 0.836 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164683392 719710775 /nfs/dbraw/zinc/71/07/75/719710775.db2.gz JYDRVISCEWTUEA-UHFFFAOYSA-N 0 3 406.512 0.542 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2 ZINC001164683652 719719867 /nfs/dbraw/zinc/71/98/67/719719867.db2.gz BOGVBNMKVDFCDN-HNNXBMFYSA-N 0 3 413.526 0.603 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164683656 719720558 /nfs/dbraw/zinc/72/05/58/719720558.db2.gz BOGVBNMKVDFCDN-OAHLLOKOSA-N 0 3 413.526 0.603 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164683879 719699394 /nfs/dbraw/zinc/69/93/94/719699394.db2.gz LOHKMWFBCGPYHR-UHFFFAOYSA-N 0 3 401.511 0.735 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164684102 719707371 /nfs/dbraw/zinc/70/73/71/719707371.db2.gz MYASLVHUXOFTPZ-UHFFFAOYSA-N 0 3 409.922 0.542 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164685333 719712146 /nfs/dbraw/zinc/71/21/46/719712146.db2.gz VIZAAUBHDQCSIW-UHFFFAOYSA-N 0 3 401.920 0.563 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164686202 719710574 /nfs/dbraw/zinc/71/05/74/719710574.db2.gz YAJGPBHYBZHYET-UHFFFAOYSA-N 0 3 415.542 0.462 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164689331 719750819 /nfs/dbraw/zinc/75/08/19/719750819.db2.gz BEZZQUQPZPFNCC-UHFFFAOYSA-N 0 3 401.920 0.563 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164689517 719740441 /nfs/dbraw/zinc/74/04/41/719740441.db2.gz GBCMXQKDIZEALU-UHFFFAOYSA-N 0 3 409.556 0.949 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164690022 719737334 /nfs/dbraw/zinc/73/73/34/719737334.db2.gz PJYBYPQNDGYGQK-UHFFFAOYSA-N 0 3 400.483 0.936 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164690165 719746588 /nfs/dbraw/zinc/74/65/88/719746588.db2.gz UYLPIWQMFYZRRX-UHFFFAOYSA-N 0 3 416.526 0.566 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1nc3c(c(N4CCOCC4)n1)CNC3)CC2 ZINC001164690247 719736360 /nfs/dbraw/zinc/73/63/60/719736360.db2.gz WSAOILAOTSPPQX-UHFFFAOYSA-N 0 3 415.542 0.097 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CC2 ZINC001164690285 719750798 /nfs/dbraw/zinc/75/07/98/719750798.db2.gz YHARWQPAGPQBSZ-HNNXBMFYSA-N 0 3 401.515 0.112 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CC2 ZINC001164690286 719751227 /nfs/dbraw/zinc/75/12/27/719751227.db2.gz YHARWQPAGPQBSZ-OAHLLOKOSA-N 0 3 401.515 0.112 20 0 HCADHN CNC(=O)CN1CCCC12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164690291 719742827 /nfs/dbraw/zinc/74/28/27/719742827.db2.gz YSEYOWZKPSYCCN-UHFFFAOYSA-N 0 3 407.540 0.703 20 0 HCADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164702321 719931685 /nfs/dbraw/zinc/93/16/85/719931685.db2.gz FIIABZYASHSTEQ-UHFFFAOYSA-N 0 3 415.889 0.690 20 0 HCADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1n[nH]c(Cl)c3ncnc1-3)CC2 ZINC001164709256 719914255 /nfs/dbraw/zinc/91/42/55/719914255.db2.gz RVAGSNMTVWJXNW-UHFFFAOYSA-N 0 3 415.889 0.690 20 0 HCADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CNCC4)C2)C1 ZINC001164716215 720212680 /nfs/dbraw/zinc/21/26/80/720212680.db2.gz AWOHNHMADIJSJH-IBGZPJMESA-N 0 3 408.934 0.441 20 0 HCADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CNCC4)C2)C1 ZINC001164716222 720213855 /nfs/dbraw/zinc/21/38/55/720213855.db2.gz AWOHNHMADIJSJH-LJQANCHMSA-N 0 3 408.934 0.441 20 0 HCADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncnc4[nH]c(C(=O)OC)cc43)C2)C1 ZINC001164720055 720220325 /nfs/dbraw/zinc/22/03/25/720220325.db2.gz VJYZQTLYZMKMAY-FQEVSTJZSA-N 0 3 416.482 0.361 20 0 HCADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3ncnc4[nH]c(C(=O)OC)cc43)C2)C1 ZINC001164720060 720220426 /nfs/dbraw/zinc/22/04/26/720220426.db2.gz VJYZQTLYZMKMAY-HXUWFJFHSA-N 0 3 416.482 0.361 20 0 HCADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3cccc(N4CCN(C)CC4)n3)C2)C1 ZINC001164720426 720263954 /nfs/dbraw/zinc/26/39/54/720263954.db2.gz VQAGTHFFECXROI-JOCHJYFZSA-N 0 3 416.570 0.498 20 0 HCADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cccc(N4CCN(C)CC4)n3)C2)C1 ZINC001164720427 720265798 /nfs/dbraw/zinc/26/57/98/720265798.db2.gz VQAGTHFFECXROI-QFIPXVFZSA-N 0 3 416.570 0.498 20 0 HCADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncnc4[nH]cc(C(=O)OC)c43)C2)C1 ZINC001164720440 720261539 /nfs/dbraw/zinc/26/15/39/720261539.db2.gz VZCSBXAOWUBAEU-FQEVSTJZSA-N 0 3 416.482 0.409 20 0 HCADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3ncnc4[nH]cc(C(=O)OC)c43)C2)C1 ZINC001164720441 720262535 /nfs/dbraw/zinc/26/25/35/720262535.db2.gz VZCSBXAOWUBAEU-HXUWFJFHSA-N 0 3 416.482 0.409 20 0 HCADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cccc(N4CCOCC4)n3)C2)C1 ZINC001164723877 720271852 /nfs/dbraw/zinc/27/18/52/720271852.db2.gz YPVNKIUODWGTFF-NRFANRHFSA-N 0 3 403.527 0.583 20 0 HCADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3cccc(N4CCOCC4)n3)C2)C1 ZINC001164723884 720271685 /nfs/dbraw/zinc/27/16/85/720271685.db2.gz YPVNKIUODWGTFF-OAQYLSRUSA-N 0 3 403.527 0.583 20 0 HCADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCc3ncc(CN4CCCC4)n3CC2)ncn1 ZINC001164736613 720589559 /nfs/dbraw/zinc/58/95/59/720589559.db2.gz PAEUIJZMCSGLNP-KRWDZBQOSA-N 0 3 410.526 0.786 20 0 HCADHN NC(=O)[C@H]1CCCN1c1cc(N2CCc3ncc(CN4CCCC4)n3CC2)ncn1 ZINC001164736614 720589217 /nfs/dbraw/zinc/58/92/17/720589217.db2.gz PAEUIJZMCSGLNP-QGZVFWFLSA-N 0 3 410.526 0.786 20 0 HCADHN c1nc2n(c1CN1CCCC1)CCN(c1nc3c(c(N4CCOCC4)n1)CNC3)CC2 ZINC001164737022 720579060 /nfs/dbraw/zinc/57/90/60/720579060.db2.gz YZQNRZXNVWFRSH-UHFFFAOYSA-N 0 3 424.553 0.771 20 0 HCADHN CC(C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737502 720761021 /nfs/dbraw/zinc/76/10/21/720761021.db2.gz CASUVKUOLLIQLB-CVEARBPZSA-N 0 3 418.523 0.900 20 0 HCADHN CC(C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737503 720759938 /nfs/dbraw/zinc/75/99/38/720759938.db2.gz CASUVKUOLLIQLB-HOTGVXAUSA-N 0 3 418.523 0.900 20 0 HCADHN CC(C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737504 720759822 /nfs/dbraw/zinc/75/98/22/720759822.db2.gz CASUVKUOLLIQLB-HZPDHXFCSA-N 0 3 418.523 0.900 20 0 HCADHN CC(C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737505 720761242 /nfs/dbraw/zinc/76/12/42/720761242.db2.gz CASUVKUOLLIQLB-JKSUJKDBSA-N 0 3 418.523 0.900 20 0 HCADHN O=C1CCC(=O)N1Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164738139 720729922 /nfs/dbraw/zinc/72/99/22/720729922.db2.gz DVALZBAHZXKRKB-DLBZAZTESA-N 0 3 408.462 0.863 20 0 HCADHN O=C1CCC(=O)N1Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164738146 720730727 /nfs/dbraw/zinc/73/07/27/720730727.db2.gz DVALZBAHZXKRKB-IAGOWNOFSA-N 0 3 408.462 0.863 20 0 HCADHN O=C1CCC(=O)N1Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164738149 720730058 /nfs/dbraw/zinc/73/00/58/720730058.db2.gz DVALZBAHZXKRKB-IRXDYDNUSA-N 0 3 408.462 0.863 20 0 HCADHN O=C1CCC(=O)N1Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164738152 720730297 /nfs/dbraw/zinc/73/02/97/720730297.db2.gz DVALZBAHZXKRKB-SJORKVTESA-N 0 3 408.462 0.863 20 0 HCADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164738282 720760911 /nfs/dbraw/zinc/76/09/11/720760911.db2.gz FJCXYDKNPJVYCL-CABCVRRESA-N 0 3 404.496 0.512 20 0 HCADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164738285 720761405 /nfs/dbraw/zinc/76/14/05/720761405.db2.gz FJCXYDKNPJVYCL-GJZGRUSLSA-N 0 3 404.496 0.512 20 0 HCADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164738287 720759310 /nfs/dbraw/zinc/75/93/10/720759310.db2.gz FJCXYDKNPJVYCL-HUUCEWRRSA-N 0 3 404.496 0.512 20 0 HCADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164738290 720759914 /nfs/dbraw/zinc/75/99/14/720759914.db2.gz FJCXYDKNPJVYCL-LSDHHAIUSA-N 0 3 404.496 0.512 20 0 HCADHN O=S(=O)(NC1CC1)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164738600 720766443 /nfs/dbraw/zinc/76/64/43/720766443.db2.gz GHQKSKCZIJXLAL-CVEARBPZSA-N 0 3 416.507 0.654 20 0 HCADHN O=S(=O)(NC1CC1)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164738602 720767836 /nfs/dbraw/zinc/76/78/36/720767836.db2.gz GHQKSKCZIJXLAL-HOTGVXAUSA-N 0 3 416.507 0.654 20 0 HCADHN O=S(=O)(NC1CC1)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164738605 720767785 /nfs/dbraw/zinc/76/77/85/720767785.db2.gz GHQKSKCZIJXLAL-HZPDHXFCSA-N 0 3 416.507 0.654 20 0 HCADHN O=S(=O)(NC1CC1)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164738606 720767340 /nfs/dbraw/zinc/76/73/40/720767340.db2.gz GHQKSKCZIJXLAL-JKSUJKDBSA-N 0 3 416.507 0.654 20 0 HCADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739840 720738325 /nfs/dbraw/zinc/73/83/25/720738325.db2.gz IZISJLQCGACRLS-CVEARBPZSA-N 0 3 401.467 0.997 20 0 HCADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739842 720739898 /nfs/dbraw/zinc/73/98/98/720739898.db2.gz IZISJLQCGACRLS-HOTGVXAUSA-N 0 3 401.467 0.997 20 0 HCADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739844 720739006 /nfs/dbraw/zinc/73/90/06/720739006.db2.gz IZISJLQCGACRLS-HZPDHXFCSA-N 0 3 401.467 0.997 20 0 HCADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739846 720739352 /nfs/dbraw/zinc/73/93/52/720739352.db2.gz IZISJLQCGACRLS-JKSUJKDBSA-N 0 3 401.467 0.997 20 0 HCADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740622 720719677 /nfs/dbraw/zinc/71/96/77/720719677.db2.gz RDHJRFZLIJVYPF-KBPBESRZSA-N 0 3 407.434 0.943 20 0 HCADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740623 720717988 /nfs/dbraw/zinc/71/79/88/720717988.db2.gz RDHJRFZLIJVYPF-KGLIPLIRSA-N 0 3 407.434 0.943 20 0 HCADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740624 720718368 /nfs/dbraw/zinc/71/83/68/720718368.db2.gz RDHJRFZLIJVYPF-UONOGXRCSA-N 0 3 407.434 0.943 20 0 HCADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740625 720719272 /nfs/dbraw/zinc/71/92/72/720719272.db2.gz RDHJRFZLIJVYPF-ZIAGYGMSSA-N 0 3 407.434 0.943 20 0 HCADHN c1ncc(O[C@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)CCN3C2)cn1 ZINC001164741033 720749822 /nfs/dbraw/zinc/74/98/22/720749822.db2.gz LXVMRRJICCYBEU-CVEARBPZSA-N 0 3 424.509 0.048 20 0 HCADHN c1ncc(O[C@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)CCN3C2)cn1 ZINC001164741037 720750392 /nfs/dbraw/zinc/75/03/92/720750392.db2.gz LXVMRRJICCYBEU-HOTGVXAUSA-N 0 3 424.509 0.048 20 0 HCADHN c1ncc(O[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)CCN3C2)cn1 ZINC001164741042 720748780 /nfs/dbraw/zinc/74/87/80/720748780.db2.gz LXVMRRJICCYBEU-HZPDHXFCSA-N 0 3 424.509 0.048 20 0 HCADHN c1ncc(O[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)CCN3C2)cn1 ZINC001164741046 720749410 /nfs/dbraw/zinc/74/94/10/720749410.db2.gz LXVMRRJICCYBEU-JKSUJKDBSA-N 0 3 424.509 0.048 20 0 HCADHN O=C(c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCOCC1 ZINC001164743640 720620241 /nfs/dbraw/zinc/62/02/41/720620241.db2.gz PWPSDWIXXPTJNF-MSOLQXFVSA-N 0 3 410.478 0.686 20 0 HCADHN O=C(c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCOCC1 ZINC001164743641 720622235 /nfs/dbraw/zinc/62/22/35/720622235.db2.gz PWPSDWIXXPTJNF-QZTJIDSGSA-N 0 3 410.478 0.686 20 0 HCADHN O=C(c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCOCC1 ZINC001164743642 720623035 /nfs/dbraw/zinc/62/30/35/720623035.db2.gz PWPSDWIXXPTJNF-ROUUACIJSA-N 0 3 410.478 0.686 20 0 HCADHN O=C(c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCOCC1 ZINC001164743643 720621027 /nfs/dbraw/zinc/62/10/27/720621027.db2.gz PWPSDWIXXPTJNF-ZWKOTPCHSA-N 0 3 410.478 0.686 20 0 HCADHN COC(=O)c1cc2cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2n1C ZINC001164745261 720751278 /nfs/dbraw/zinc/75/12/78/720751278.db2.gz UKUMBFSNPPWRPO-CABCVRRESA-N 0 3 409.450 0.887 20 0 HCADHN COC(=O)c1cc2cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2n1C ZINC001164745263 720752334 /nfs/dbraw/zinc/75/23/34/720752334.db2.gz UKUMBFSNPPWRPO-GJZGRUSLSA-N 0 3 409.450 0.887 20 0 HCADHN COC(=O)c1cc2cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2n1C ZINC001164745265 720751436 /nfs/dbraw/zinc/75/14/36/720751436.db2.gz UKUMBFSNPPWRPO-HUUCEWRRSA-N 0 3 409.450 0.887 20 0 HCADHN COC(=O)c1cc2cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2n1C ZINC001164745266 720750892 /nfs/dbraw/zinc/75/08/92/720750892.db2.gz UKUMBFSNPPWRPO-LSDHHAIUSA-N 0 3 409.450 0.887 20 0 HCADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164749734 720791466 /nfs/dbraw/zinc/79/14/66/720791466.db2.gz UMFBNLRBCANRLY-INMHGKMJSA-N 0 3 410.482 0.063 20 0 HCADHN 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ZINC001164765713 721103676 /nfs/dbraw/zinc/10/36/76/721103676.db2.gz JPYRRHOWBUAGSJ-ROUUACIJSA-N 0 3 424.553 0.973 20 0 HCADHN Cn1cc(CN2CC[C@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)C[C@H]3C2)cn1 ZINC001164765716 721102245 /nfs/dbraw/zinc/10/22/45/721102245.db2.gz JPYRRHOWBUAGSJ-ZWKOTPCHSA-N 0 3 424.553 0.973 20 0 HCADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(N5CCC[C@@H]5C(N)=O)ncn4)C[C@@H]3C2)cn1 ZINC001164766764 721225283 /nfs/dbraw/zinc/22/52/83/721225283.db2.gz JFCXSYZJENTKNX-FGTMMUONSA-N 0 3 410.526 0.623 20 0 HCADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(N5CCC[C@H]5C(N)=O)ncn4)C[C@H]3C2)cn1 ZINC001164766769 721224703 /nfs/dbraw/zinc/22/47/03/721224703.db2.gz JFCXSYZJENTKNX-KURKYZTESA-N 0 3 410.526 0.623 20 0 HCADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(N5CCC[C@@H]5C(N)=O)ncn4)C[C@H]3C2)cn1 ZINC001164766772 721225441 /nfs/dbraw/zinc/22/54/41/721225441.db2.gz JFCXSYZJENTKNX-KZNAEPCWSA-N 0 3 410.526 0.623 20 0 HCADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(N5CCC[C@H]5C(N)=O)ncn4)C[C@@H]3C2)cn1 ZINC001164766778 721225430 /nfs/dbraw/zinc/22/54/30/721225430.db2.gz JFCXSYZJENTKNX-SQNIBIBYSA-N 0 3 410.526 0.623 20 0 HCADHN Cn1cc(CN2CC[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@@H]3C2)cn1 ZINC001164770801 721186098 /nfs/dbraw/zinc/18/60/98/721186098.db2.gz OOFDYNUBYVFZRV-MSOLQXFVSA-N 0 3 424.553 0.608 20 0 HCADHN Cn1cc(CN2CC[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@H]3C2)cn1 ZINC001164770803 721185009 /nfs/dbraw/zinc/18/50/09/721185009.db2.gz OOFDYNUBYVFZRV-QZTJIDSGSA-N 0 3 424.553 0.608 20 0 HCADHN Cn1cc(CN2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@@H]3C2)cn1 ZINC001164770805 721185693 /nfs/dbraw/zinc/18/56/93/721185693.db2.gz OOFDYNUBYVFZRV-ROUUACIJSA-N 0 3 424.553 0.608 20 0 HCADHN Cn1cc(CN2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@H]3C2)cn1 ZINC001164770807 721185026 /nfs/dbraw/zinc/18/50/26/721185026.db2.gz OOFDYNUBYVFZRV-ZWKOTPCHSA-N 0 3 424.553 0.608 20 0 HCADHN CN1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c2CCNC4)CC3)CC1 ZINC001164794110 721510010 /nfs/dbraw/zinc/51/00/10/721510010.db2.gz GCUKKUFPBPRMFH-UHFFFAOYSA-N 0 3 402.934 0.740 20 0 HCADHN CN1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c2CNCC4)CC3)CC1 ZINC001164794525 721508271 /nfs/dbraw/zinc/50/82/71/721508271.db2.gz AGIAFUDHWOEUDO-UHFFFAOYSA-N 0 3 402.934 0.740 20 0 HCADHN CN1CCN(Cc2cn3c(n2)CN(c2ccc(N4CCN(C)CC4)nn2)CC3)CC1 ZINC001164795278 721509706 /nfs/dbraw/zinc/50/97/06/721509706.db2.gz JGQZTIKMYSMBGI-UHFFFAOYSA-N 0 3 411.558 0.193 20 0 HCADHN CN1CCN(Cc2cn3c(n2)CN(c2cccc(N4CCN(C)CC4)n2)CC3)CC1 ZINC001164797166 721515573 /nfs/dbraw/zinc/51/55/73/721515573.db2.gz HRVGDQGCFUGEKR-UHFFFAOYSA-N 0 3 410.570 0.798 20 0 HCADHN CN1CCN(Cc2cn3c(n2)CN(c2ncccc2C(=O)N2CCNCC2)CC3)CC1 ZINC001164797780 721515878 /nfs/dbraw/zinc/51/58/78/721515878.db2.gz NAOPNCWCPQKOTC-UHFFFAOYSA-N 0 3 424.553 0.091 20 0 HCADHN COC(=O)c1c[n-]c2nc[nH+]c(N3CCn4cc(CN5CCN(C)CC5)nc4C3)c12 ZINC001164798451 721514977 /nfs/dbraw/zinc/51/49/77/721514977.db2.gz UMTJESHJAKKEKH-UHFFFAOYSA-N 0 3 410.482 0.709 20 0 HCADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ncc3c(n1)CCNC3)C2 ZINC001164822707 720438271 /nfs/dbraw/zinc/43/82/71/720438271.db2.gz GXZNRPSWVBNYBO-KRWDZBQOSA-N 0 3 413.526 0.308 20 0 HCADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ncc3c(n1)CCNC3)C2 ZINC001164822708 720438057 /nfs/dbraw/zinc/43/80/57/720438057.db2.gz GXZNRPSWVBNYBO-QGZVFWFLSA-N 0 3 413.526 0.308 20 0 HCADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ncnc3c1CCNC3)C2 ZINC001164823389 720439817 /nfs/dbraw/zinc/43/98/17/720439817.db2.gz IYCFHWPKBQGJGP-INIZCTEOSA-N 0 3 413.526 0.308 20 0 HCADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ncnc3c1CCNC3)C2 ZINC001164823390 720439698 /nfs/dbraw/zinc/43/96/98/720439698.db2.gz IYCFHWPKBQGJGP-MRXNPFEDSA-N 0 3 413.526 0.308 20 0 HCADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cc3c(nn1)CCNC3)C2 ZINC001164830614 720461594 /nfs/dbraw/zinc/46/15/94/720461594.db2.gz KKNWGTVDMUFSPL-KRWDZBQOSA-N 0 3 413.526 0.308 20 0 HCADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc3c(nn1)CCNC3)C2 ZINC001164830616 720462945 /nfs/dbraw/zinc/46/29/45/720462945.db2.gz KKNWGTVDMUFSPL-QGZVFWFLSA-N 0 3 413.526 0.308 20 0 HCADHN C[C@H]1CCCN1C(=O)c1nn(-c2ccc(N3CCN(C)CC3)nn2)c2c1CNCC2 ZINC001164843920 720805572 /nfs/dbraw/zinc/80/55/72/720805572.db2.gz ADCMBWWBPOEPHF-HNNXBMFYSA-N 0 3 410.526 0.684 20 0 HCADHN C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(N3CCN(C)CC3)nn2)c2c1CNCC2 ZINC001164843924 720805708 /nfs/dbraw/zinc/80/57/08/720805708.db2.gz ADCMBWWBPOEPHF-OAHLLOKOSA-N 0 3 410.526 0.684 20 0 HCADHN C[C@H]1CCCN1C(=O)c1nn(-c2ccnc(N3CCN(C)CC3)n2)c2c1CNCC2 ZINC001164850680 720806166 /nfs/dbraw/zinc/80/61/66/720806166.db2.gz JUYLVSOTBIEESG-HNNXBMFYSA-N 0 3 410.526 0.684 20 0 HCADHN C[C@@H]1CCCN1C(=O)c1nn(-c2ccnc(N3CCN(C)CC3)n2)c2c1CNCC2 ZINC001164850684 720806148 /nfs/dbraw/zinc/80/61/48/720806148.db2.gz JUYLVSOTBIEESG-OAHLLOKOSA-N 0 3 410.526 0.684 20 0 HCADHN CN(C)C(=O)CN1CCOCC2(CCN(c3nc(Cl)nc4c3CCNC4)CC2)C1 ZINC001164868568 721265632 /nfs/dbraw/zinc/26/56/32/721265632.db2.gz CMMQQIBVKPESJB-UHFFFAOYSA-N 0 3 422.961 0.783 20 0 HCADHN CN(C)C(=O)CN1CCOCC2(CCN(c3nc(Cl)nc4c3CNCC4)CC2)C1 ZINC001164873095 721261135 /nfs/dbraw/zinc/26/11/35/721261135.db2.gz GKNFXCOGFIIADF-UHFFFAOYSA-N 0 3 422.961 0.783 20 0 HCADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164873614 721168808 /nfs/dbraw/zinc/16/88/08/721168808.db2.gz IZOBZKPNFHSKIO-FHWLQOOXSA-N 0 3 423.521 0.805 20 0 HCADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164873616 721170371 /nfs/dbraw/zinc/17/03/71/721170371.db2.gz IZOBZKPNFHSKIO-OTWHNJEPSA-N 0 3 423.521 0.805 20 0 HCADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164873617 721169397 /nfs/dbraw/zinc/16/93/97/721169397.db2.gz IZOBZKPNFHSKIO-QRVBRYPASA-N 0 3 423.521 0.805 20 0 HCADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164873618 721169787 /nfs/dbraw/zinc/16/97/87/721169787.db2.gz IZOBZKPNFHSKIO-QYZOEREBSA-N 0 3 423.521 0.805 20 0 HCADHN CN(C)C(=O)CN1CCOCC2(CCN(c3cccc(N4CCOCC4)n3)CC2)C1 ZINC001164874423 721280159 /nfs/dbraw/zinc/28/01/59/721280159.db2.gz RLGNOMKEZIZAQX-UHFFFAOYSA-N 0 3 417.554 0.925 20 0 HCADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164876461 721140087 /nfs/dbraw/zinc/14/00/87/721140087.db2.gz MPDATJAJCLOYBJ-DLBZAZTESA-N 0 3 403.508 0.864 20 0 HCADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164876463 721140303 /nfs/dbraw/zinc/14/03/03/721140303.db2.gz MPDATJAJCLOYBJ-IAGOWNOFSA-N 0 3 403.508 0.864 20 0 HCADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164876465 721139500 /nfs/dbraw/zinc/13/95/00/721139500.db2.gz MPDATJAJCLOYBJ-IRXDYDNUSA-N 0 3 403.508 0.864 20 0 HCADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164876467 721140678 /nfs/dbraw/zinc/14/06/78/721140678.db2.gz MPDATJAJCLOYBJ-SJORKVTESA-N 0 3 403.508 0.864 20 0 HCADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc5c(n4)N(C)CC(=O)N5)C3)O2)CC1 ZINC001164889882 721419929 /nfs/dbraw/zinc/41/99/29/721419929.db2.gz RUXNJGUIYAXTAI-HRAATJIYSA-N 0 3 415.542 0.630 20 0 HCADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc5c(n4)N(C)CC(=O)N5)C3)O2)CC1 ZINC001164889889 721419821 /nfs/dbraw/zinc/41/98/21/721419821.db2.gz RUXNJGUIYAXTAI-IERDGZPVSA-N 0 3 415.542 0.630 20 0 HCADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc5c(n4)N(C)CC(=O)N5)C3)O2)CC1 ZINC001164889893 721419620 /nfs/dbraw/zinc/41/96/20/721419620.db2.gz RUXNJGUIYAXTAI-IIBYNOLFSA-N 0 3 415.542 0.630 20 0 HCADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc5c(n4)N(C)CC(=O)N5)C3)O2)CC1 ZINC001164889900 721419580 /nfs/dbraw/zinc/41/95/80/721419580.db2.gz RUXNJGUIYAXTAI-KKSFZXQISA-N 0 3 415.542 0.630 20 0 HCADHN Cc1nc(CN2CCOC[C@@]3(CN(c4cc5c(nn4)CCNC5)CCO3)C2)cs1 ZINC001164920581 721830190 /nfs/dbraw/zinc/83/01/90/721830190.db2.gz FLHBAAOUPLTDKQ-FQEVSTJZSA-N 0 3 416.551 0.995 20 0 HCADHN Cc1nc(CN2CCOC[C@]3(CN(c4cc5c(nn4)CCNC5)CCO3)C2)cs1 ZINC001164920582 721830141 /nfs/dbraw/zinc/83/01/41/721830141.db2.gz FLHBAAOUPLTDKQ-HXUWFJFHSA-N 0 3 416.551 0.995 20 0 HCADHN Cc1nc(CN2CCOC[C@@]3(CN(c4ncc5c(n4)CCNC5)CCO3)C2)cs1 ZINC001164926452 721824821 /nfs/dbraw/zinc/82/48/21/721824821.db2.gz XAUCXWFRUVNDPI-FQEVSTJZSA-N 0 3 416.551 0.995 20 0 HCADHN Cc1nc(CN2CCOC[C@]3(CN(c4ncc5c(n4)CCNC5)CCO3)C2)cs1 ZINC001164926453 721824727 /nfs/dbraw/zinc/82/47/27/721824727.db2.gz XAUCXWFRUVNDPI-HXUWFJFHSA-N 0 3 416.551 0.995 20 0 HCADHN CN(C)Cc1ccnc(N2CC[C@@H]3[C@H](CN(CC(=O)N(C)C)S3(=O)=O)CC2)c1 ZINC001164971549 722087696 /nfs/dbraw/zinc/08/76/96/722087696.db2.gz JTBMXFNYXSPKCM-DLBZAZTESA-N 0 3 409.556 0.462 20 0 HCADHN CN(C)Cc1ccnc(N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)c1 ZINC001164971550 722087704 /nfs/dbraw/zinc/08/77/04/722087704.db2.gz JTBMXFNYXSPKCM-IAGOWNOFSA-N 0 3 409.556 0.462 20 0 HCADHN CN(C)Cc1ccnc(N2CC[C@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@H]3CC2)c1 ZINC001164971551 722087652 /nfs/dbraw/zinc/08/76/52/722087652.db2.gz JTBMXFNYXSPKCM-IRXDYDNUSA-N 0 3 409.556 0.462 20 0 HCADHN CN(C)Cc1ccnc(N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@H]3CC2)c1 ZINC001164971552 722087633 /nfs/dbraw/zinc/08/76/33/722087633.db2.gz JTBMXFNYXSPKCM-SJORKVTESA-N 0 3 409.556 0.462 20 0 HCADHN CN1CC(=O)Nc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164972419 722126117 /nfs/dbraw/zinc/12/61/17/722126117.db2.gz FECSFLCGYGDURM-AEFFLSMTSA-N 0 3 409.494 0.987 20 0 HCADHN CN1CC(=O)Nc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164972420 722126595 /nfs/dbraw/zinc/12/65/95/722126595.db2.gz FECSFLCGYGDURM-FUHWJXTLSA-N 0 3 409.494 0.987 20 0 HCADHN CN1CC(=O)Nc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164972421 722126097 /nfs/dbraw/zinc/12/60/97/722126097.db2.gz FECSFLCGYGDURM-SJLPKXTDSA-N 0 3 409.494 0.987 20 0 HCADHN CN1CC(=O)Nc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164972422 722126278 /nfs/dbraw/zinc/12/62/78/722126278.db2.gz FECSFLCGYGDURM-WMZOPIPTSA-N 0 3 409.494 0.987 20 0 HCADHN NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164980333 722150460 /nfs/dbraw/zinc/15/04/60/722150460.db2.gz MZAYJGGJAKGWMH-CVEARBPZSA-N 0 3 404.496 0.246 20 0 HCADHN NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164980335 722150120 /nfs/dbraw/zinc/15/01/20/722150120.db2.gz MZAYJGGJAKGWMH-HOTGVXAUSA-N 0 3 404.496 0.246 20 0 HCADHN NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164980336 722150274 /nfs/dbraw/zinc/15/02/74/722150274.db2.gz MZAYJGGJAKGWMH-HZPDHXFCSA-N 0 3 404.496 0.246 20 0 HCADHN NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164980338 722150109 /nfs/dbraw/zinc/15/01/09/722150109.db2.gz MZAYJGGJAKGWMH-JKSUJKDBSA-N 0 3 404.496 0.246 20 0 HCADHN NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980483 722111378 /nfs/dbraw/zinc/11/13/78/722111378.db2.gz RIMHRPOWQVBLON-AEFFLSMTSA-N 0 3 403.508 0.851 20 0 HCADHN NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980486 722111789 /nfs/dbraw/zinc/11/17/89/722111789.db2.gz RIMHRPOWQVBLON-FUHWJXTLSA-N 0 3 403.508 0.851 20 0 HCADHN NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980489 722111388 /nfs/dbraw/zinc/11/13/88/722111388.db2.gz RIMHRPOWQVBLON-SJLPKXTDSA-N 0 3 403.508 0.851 20 0 HCADHN NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980490 722111423 /nfs/dbraw/zinc/11/14/23/722111423.db2.gz RIMHRPOWQVBLON-WMZOPIPTSA-N 0 3 403.508 0.851 20 0 HCADHN CN1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2CCNC4)CC3)CC1 ZINC001164996443 722230530 /nfs/dbraw/zinc/23/05/30/722230530.db2.gz HKVRLJWBJYFBJI-UHFFFAOYSA-N 0 3 414.945 0.923 20 0 HCADHN CN1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2CNCC4)CC3)CC1 ZINC001164996582 722229008 /nfs/dbraw/zinc/22/90/08/722229008.db2.gz JYUWUEGXUMQIJJ-UHFFFAOYSA-N 0 3 414.945 0.923 20 0 HCADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCc2ncnc(N3CCN(C)CC3)c2CC1 ZINC001164997080 722230672 /nfs/dbraw/zinc/23/06/72/722230672.db2.gz OIQZBYSPAUNXKW-UHFFFAOYSA-N 0 3 422.493 0.843 20 0 HCADHN CN1CCN(c2cccc(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)n2)CC1 ZINC001164997213 722235641 /nfs/dbraw/zinc/23/56/41/722235641.db2.gz NZRZMXFTVLORGP-UHFFFAOYSA-N 0 3 422.581 0.980 20 0 HCADHN CN1CCN(c2ccc(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)nn2)CC1 ZINC001164997716 722229445 /nfs/dbraw/zinc/22/94/45/722229445.db2.gz UDOACTMZODJOST-UHFFFAOYSA-N 0 3 423.569 0.375 20 0 HCADHN CN(C)C(=O)CN1CCC2(CCCN2c2ccc(N3CCN(C)CC3)nn2)CC1 ZINC001165007478 721730922 /nfs/dbraw/zinc/73/09/22/721730922.db2.gz DTIHNAMEYQNDJN-UHFFFAOYSA-N 0 3 401.559 0.751 20 0 HCADHN CN(C)C(=O)CN1CCC2(CCCN2c2ncccc2C(=O)N2CCNCC2)CC1 ZINC001165011079 721740970 /nfs/dbraw/zinc/74/09/70/721740970.db2.gz UFIHMGCRPZODPV-UHFFFAOYSA-N 0 3 414.554 0.650 20 0 HCADHN C1CCC(N2CCN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)CC2)C1 ZINC001165028642 721853555 /nfs/dbraw/zinc/85/35/55/721853555.db2.gz CQXGARWNGPUUKM-UHFFFAOYSA-N 0 3 403.531 0.609 20 0 HCADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC001168555197 1079590753 /nfs/dbraw/zinc/59/07/53/1079590753.db2.gz OFPJTXNSPMYRLA-HZMVEIRTSA-N 0 3 407.515 0.552 20 0 HCADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC001168555198 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