smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ncncc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000769699847 1078525085 /nfs/dbraw/zinc/52/50/85/1078525085.db2.gz PQYBOYLNGQEXPO-UHFFFAOYSA-N 0 0 417.381 2.479 20 10 HECDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cnn2cc(Br)cnc12 ZINC000769722173 1078536045 /nfs/dbraw/zinc/53/60/45/1078536045.db2.gz JAJQYBGUTBEGNZ-UHFFFAOYSA-N 0 0 416.279 2.258 20 10 HECDRN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000769751919 1078539579 /nfs/dbraw/zinc/53/95/79/1078539579.db2.gz JSHJNKOAWZQCAQ-UHFFFAOYSA-N 0 0 419.503 2.436 20 10 HECDRN Cc1cccc(F)c1NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000769763569 1078544704 /nfs/dbraw/zinc/54/47/04/1078544704.db2.gz MFSXKSAMIMOCDT-UHFFFAOYSA-N 0 0 424.523 2.469 20 10 HECDRN CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N2 ZINC000769807000 1078571923 /nfs/dbraw/zinc/57/19/23/1078571923.db2.gz XRUZNTGTHVJXAC-AWEZNQCLSA-N 0 0 417.487 2.182 20 10 HECDRN CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769813755 1078574214 /nfs/dbraw/zinc/57/42/14/1078574214.db2.gz BTNLUIJVIRAAEQ-UHFFFAOYSA-N 0 0 420.487 2.012 20 10 HECDRN C[C@@H]1CC[C@@H](CCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000745708369 1078602008 /nfs/dbraw/zinc/60/20/08/1078602008.db2.gz KTFZTZWQUSQKKI-WBVHZDCISA-N 0 0 408.470 2.169 20 10 HECDRN CCC(CC)(CCO)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000745690281 1078601450 /nfs/dbraw/zinc/60/14/50/1078601450.db2.gz ALTHVJFLKQDVMR-GOSISDBHSA-N 0 0 404.555 2.376 20 10 HECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c1 ZINC000769896208 1078618515 /nfs/dbraw/zinc/61/85/15/1078618515.db2.gz UOWXPKFZMGBUER-AWEZNQCLSA-N 0 0 406.464 2.392 20 10 HECDRN COc1cccc(CNC(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1O ZINC000745779947 1078639694 /nfs/dbraw/zinc/63/96/94/1078639694.db2.gz FRJIVIXYRHWMNA-SFHVURJKSA-N 0 0 413.474 2.309 20 10 HECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000769966763 1078656656 /nfs/dbraw/zinc/65/66/56/1078656656.db2.gz XHQCZIQQNMVSLK-KRWDZBQOSA-N 0 0 404.488 2.238 20 10 HECDRN Cn1cc(N2CCC[C@H](NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)C2)cn1 ZINC000745856117 1078673245 /nfs/dbraw/zinc/67/32/45/1078673245.db2.gz BCJSBJDXCPTYTC-AZUAARDMSA-N 0 0 413.522 2.485 20 10 HECDRN Cc1cc(N2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2=O)n(C)n1 ZINC000745906482 1078688015 /nfs/dbraw/zinc/68/80/15/1078688015.db2.gz QHTRDZYFJRVYAM-LJQANCHMSA-N 0 0 410.522 2.274 20 10 HECDRN COCCN1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000745906118 1078688566 /nfs/dbraw/zinc/68/85/66/1078688566.db2.gz WTSKNMDAYAGZLV-INIZCTEOSA-N 0 0 412.481 2.230 20 10 HECDRN CNC(=O)Cn1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000745903471 1078690807 /nfs/dbraw/zinc/69/08/07/1078690807.db2.gz HDWZFPRFVSIZIY-ZDUSSCGKSA-N 0 0 422.436 2.021 20 10 HECDRN O=C(NC[C@H](O)C1CCOCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745904077 1078691005 /nfs/dbraw/zinc/69/10/05/1078691005.db2.gz LCCSHVZQDMYQDB-YJBOKZPZSA-N 0 0 413.465 2.344 20 10 HECDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)C(=O)N(C)c3ccccc31)cc2=O ZINC000745985538 1078726669 /nfs/dbraw/zinc/72/66/69/1078726669.db2.gz MMXMMZZQEHDEEZ-CYBMUJFWSA-N 0 0 409.446 2.231 20 10 HECDRN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000746016257 1078734492 /nfs/dbraw/zinc/73/44/92/1078734492.db2.gz YCPKAABQLJAEBW-UHFFFAOYSA-N 0 0 412.534 2.328 20 10 HECDRN C[C@]1(NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CCOC1 ZINC000770115682 1078736408 /nfs/dbraw/zinc/73/64/08/1078736408.db2.gz ILDCRJHAOBCILY-SFHVURJKSA-N 0 0 421.431 2.010 20 10 HECDRN COCC[C@]1(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCOC1 ZINC000770262264 1078797034 /nfs/dbraw/zinc/79/70/34/1078797034.db2.gz RMFJQXHGPMBVFD-MRUHUIDDSA-N 0 0 409.502 2.434 20 10 HECDRN CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000770265853 1078798020 /nfs/dbraw/zinc/79/80/20/1078798020.db2.gz RUHILELPEUCKCA-UHFFFAOYSA-N 0 0 412.508 2.394 20 10 HECDRN C[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])CCN1c1nccn2cnnc12 ZINC000770279878 1078805093 /nfs/dbraw/zinc/80/50/93/1078805093.db2.gz IDDHILNBIICOBQ-LBPRGKRZSA-N 0 0 403.284 2.303 20 10 HECDRN CCOc1ccc(N(CC)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000746159145 1078812662 /nfs/dbraw/zinc/81/26/62/1078812662.db2.gz PCQXEGZLAJYRIX-UHFFFAOYSA-N 0 0 402.495 2.444 20 10 HECDRN COc1ccc(N(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC(C)C)cc1 ZINC000746170003 1078814502 /nfs/dbraw/zinc/81/45/02/1078814502.db2.gz LCUMKLTZWLBYBH-UHFFFAOYSA-N 0 0 418.582 2.217 20 10 HECDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](O)c3ccc(F)cc3)cc2)C1 ZINC000770302726 1078824280 /nfs/dbraw/zinc/82/42/80/1078824280.db2.gz YLHGKXVCMQMTJL-FXAWDEMLSA-N 0 0 414.481 2.060 20 10 HECDRN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CSC(=O)N2)NC(=O)OC(C)(C)C)cc1 ZINC000746317239 1078856565 /nfs/dbraw/zinc/85/65/65/1078856565.db2.gz LGSJTBDXWSXRKZ-LSDHHAIUSA-N 0 0 408.524 2.260 20 10 HECDRN CCCCn1nccc1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000746363785 1078875600 /nfs/dbraw/zinc/87/56/00/1078875600.db2.gz IQBLWQNFHIRURA-UHFFFAOYSA-N 0 0 401.536 2.491 20 10 HECDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccnn1Cc1ccccn1 ZINC000746356455 1078872846 /nfs/dbraw/zinc/87/28/46/1078872846.db2.gz RUIMXIFNVGMBON-UHFFFAOYSA-N 0 0 404.474 2.182 20 10 HECDRN COC1(CO)CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000770495394 1078867739 /nfs/dbraw/zinc/86/77/39/1078867739.db2.gz MXIPKZMKEVDAEN-UHFFFAOYSA-N 0 0 413.465 2.440 20 10 HECDRN NS(=O)(=O)c1cccc2c1ccnc2C(=O)NCCCSc1nccs1 ZINC000770491494 1078878761 /nfs/dbraw/zinc/87/87/61/1078878761.db2.gz YALXPFONORFOCW-UHFFFAOYSA-N 0 0 408.530 2.251 20 10 HECDRN Cn1cc(C[C@@H]2CC(=O)N(CN3CCCc4cc(OC(F)F)ccc43)C2=O)cn1 ZINC000766353132 1078907054 /nfs/dbraw/zinc/90/70/54/1078907054.db2.gz ZXMLYPQYCMEQDK-OAHLLOKOSA-N 0 0 404.417 2.349 20 10 HECDRN CNC(=O)CC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000746414901 1078913178 /nfs/dbraw/zinc/91/31/78/1078913178.db2.gz IEAUNXSVWCQJLQ-HOTGVXAUSA-N 0 0 420.529 2.497 20 10 HECDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000770729235 1078955021 /nfs/dbraw/zinc/95/50/21/1078955021.db2.gz ZGWNUDZFLMOREW-UHFFFAOYSA-N 0 0 423.448 2.103 20 10 HECDRN CCCCn1ncc(NC(=O)C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1C ZINC000746437230 1078959267 /nfs/dbraw/zinc/95/92/67/1078959267.db2.gz UYHAYYYCIGGVFY-UHFFFAOYSA-N 0 0 417.485 2.427 20 10 HECDRN CN(CCN1CCOCC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745904147 1078984756 /nfs/dbraw/zinc/98/47/56/1078984756.db2.gz MMECSYILZPRIMJ-INIZCTEOSA-N 0 0 412.481 2.230 20 10 HECDRN CC(=O)Nc1ccccc1CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000766431205 1079000994 /nfs/dbraw/zinc/00/09/94/1079000994.db2.gz DZYOCVNKOZMIOS-LJQANCHMSA-N 0 0 408.502 2.206 20 10 HECDRN COCCN(CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000746474889 1079029041 /nfs/dbraw/zinc/02/90/41/1079029041.db2.gz OHIXTMRSTYNOAS-HNNXBMFYSA-N 0 0 402.495 2.385 20 10 HECDRN COCCN(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(OC)c(OC)c1 ZINC000746474651 1079029193 /nfs/dbraw/zinc/02/91/93/1079029193.db2.gz KBXGWAXNWOUFQN-UHFFFAOYSA-N 0 0 402.447 2.202 20 10 HECDRN COc1cc(OC)c(OC)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000766490732 1079030499 /nfs/dbraw/zinc/03/04/99/1079030499.db2.gz VPBCYLRXNCDWPQ-UHFFFAOYSA-N 0 0 411.458 2.344 20 10 HECDRN COc1ccc(N2CCN(C(=O)Cc3noc(C[C@@H]4CCCCO4)n3)CC2)cc1 ZINC000771067046 1079124479 /nfs/dbraw/zinc/12/44/79/1079124479.db2.gz MUNSNNWJAPHDQM-SFHVURJKSA-N 0 0 400.479 2.081 20 10 HECDRN COc1ccc(N2CCN(C(=O)Cc3noc([C@@H](C)c4c(C)n[nH]c4C)n3)CC2)cc1 ZINC000771068627 1079125028 /nfs/dbraw/zinc/12/50/28/1079125028.db2.gz SBQCVRIRKZTTJX-AWEZNQCLSA-N 0 0 424.505 2.461 20 10 HECDRN COc1ccc(N2CCN(C(=O)Cc3noc(C(C)(C)c4cnn(C)c4)n3)CC2)cc1 ZINC000771069468 1079125577 /nfs/dbraw/zinc/12/55/77/1079125577.db2.gz VOMYVRKZPBYIBR-UHFFFAOYSA-N 0 0 424.505 2.029 20 10 HECDRN COc1ccc(N2CCN(C(=O)Cc3noc([C@H]4CCC(=O)C[C@H]4C)n3)CC2)cc1 ZINC000771083838 1079134615 /nfs/dbraw/zinc/13/46/15/1079134615.db2.gz TUPBGHNLQPVNPU-BEFAXECRSA-N 0 0 412.490 2.442 20 10 HECDRN COc1ccc(N2CCN(C(=O)Cc3noc(-c4ccc5nccn5c4)n3)CC2)cc1 ZINC000771083041 1079135152 /nfs/dbraw/zinc/13/51/52/1079135152.db2.gz MWBIZGXIWGNRET-UHFFFAOYSA-N 0 0 418.457 2.284 20 10 HECDRN COc1ccc(N2CCC(NC(=O)C(=O)NCC(C)(C)[C@H]3CCCCO3)CC2)cc1 ZINC000804317111 1079239943 /nfs/dbraw/zinc/23/99/43/1079239943.db2.gz SDROKZLQDFLMQO-HXUWFJFHSA-N 0 0 417.550 2.492 20 10 HECDRN CCO[C@H](CCNC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000804319109 1079241775 /nfs/dbraw/zinc/24/17/75/1079241775.db2.gz ZDRXVACQCMALSM-HXUWFJFHSA-N 0 0 405.539 2.348 20 10 HECDRN COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000804318626 1079243152 /nfs/dbraw/zinc/24/31/52/1079243152.db2.gz QHWZJOOQAUJOOO-AQNXPRMDSA-N 0 0 415.534 2.100 20 10 HECDRN C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2ccccc2O)C1=O ZINC000771419165 1079313324 /nfs/dbraw/zinc/31/33/24/1079313324.db2.gz WJHVHFGDWRLQSI-IBGZPJMESA-N 0 0 405.813 2.268 20 10 HECDRN Cc1cnc(N)c(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000766775879 1079357549 /nfs/dbraw/zinc/35/75/49/1079357549.db2.gz JPMWPXMZFFPYFN-KBPBESRZSA-N 0 0 408.499 2.203 20 10 HECDRN CCN(C(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1)c1ccccc1 ZINC000771643015 1079419601 /nfs/dbraw/zinc/41/96/01/1079419601.db2.gz HPYYZTKIUIYFAJ-UHFFFAOYSA-N 0 0 416.459 2.409 20 10 HECDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](OCC(F)(F)F)C1)cc2=O ZINC000738320704 1075989528 /nfs/dbraw/zinc/98/95/28/1075989528.db2.gz PJIFWWILWKVWPZ-LBPRGKRZSA-N 0 0 402.373 2.155 20 10 HECDRN C[C@@H](CO)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000771779028 1079500321 /nfs/dbraw/zinc/50/03/21/1079500321.db2.gz GPFBLQWMLZLCKZ-DAVUEJTQSA-N 0 0 415.334 2.147 20 10 HECDRN C[C@@H](CO)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000771779029 1079500364 /nfs/dbraw/zinc/50/03/64/1079500364.db2.gz GPFBLQWMLZLCKZ-TXEUWIOXSA-N 0 0 415.334 2.147 20 10 HECDRN COc1ccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1F ZINC000738899526 1076022285 /nfs/dbraw/zinc/02/22/85/1076022285.db2.gz MWSYUOFJJWGWMJ-UHFFFAOYSA-N 0 0 407.467 2.391 20 10 HECDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1nnc(C(F)F)s1 ZINC000738914741 1076029260 /nfs/dbraw/zinc/02/92/60/1076029260.db2.gz RWINHQUDFFLFJI-UHFFFAOYSA-N 0 0 417.463 2.032 20 10 HECDRN CC[C@@H](COC)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000738988926 1076040130 /nfs/dbraw/zinc/04/01/30/1076040130.db2.gz JHXFETYPKBJWSG-KRWDZBQOSA-N 0 0 416.501 2.167 20 10 HECDRN C[C@@H]1CN(c2ccc(CNC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)cc2F)C[C@@H](C)O1 ZINC000739525001 1076066396 /nfs/dbraw/zinc/06/63/96/1076066396.db2.gz YXUQDWDLSYJRSL-IZVVFDKHSA-N 0 0 404.482 2.297 20 10 HECDRN NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Cn4cncn4)cc3)c2)CC1 ZINC000739766608 1076081204 /nfs/dbraw/zinc/08/12/04/1076081204.db2.gz SFJUJSJXLHODCM-UHFFFAOYSA-N 0 0 404.474 2.280 20 10 HECDRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000740907589 1076286709 /nfs/dbraw/zinc/28/67/09/1076286709.db2.gz QKFGGIBKAJBXRL-WMZOPIPTSA-N 0 0 411.593 2.395 20 10 HECDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000740909872 1076295292 /nfs/dbraw/zinc/29/52/92/1076295292.db2.gz RUHJELKNPVLXQJ-OAQYLSRUSA-N 0 0 402.564 2.070 20 10 HECDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cnn(CC(F)(F)F)c3)cc2)C1 ZINC000741071569 1076352927 /nfs/dbraw/zinc/35/29/27/1076352927.db2.gz FHSFWICQMCJNET-CQSZACIVSA-N 0 0 424.427 2.469 20 10 HECDRN COc1ccc(O)c(CNC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)c1 ZINC000741072871 1076353631 /nfs/dbraw/zinc/35/36/31/1076353631.db2.gz JZHSISSCAUDLAJ-UHFFFAOYSA-N 0 0 405.476 2.472 20 10 HECDRN O=C(CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000741082244 1076356875 /nfs/dbraw/zinc/35/68/75/1076356875.db2.gz GYTBIMYQPCWRTJ-UHFFFAOYSA-N 0 0 419.529 2.211 20 10 HECDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 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/nfs/dbraw/zinc/56/54/02/1080565402.db2.gz XDXGRCJFTBXZMA-UHFFFAOYSA-N 0 0 406.483 2.007 20 10 HECDRN CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1cc3c(cc1O)OC[C@H]3O)CCC2 ZINC000768462601 1080583769 /nfs/dbraw/zinc/58/37/69/1080583769.db2.gz OAWJQIXRKJOLQF-LJQANCHMSA-N 0 0 404.488 2.021 20 10 HECDRN O=C1NCCN(Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1Br ZINC000768465682 1080585911 /nfs/dbraw/zinc/58/59/11/1080585911.db2.gz PQUUCHVVDYDOIG-AEFFLSMTSA-N 0 0 419.275 2.254 20 10 HECDRN COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000768522356 1080608374 /nfs/dbraw/zinc/60/83/74/1080608374.db2.gz MHKNIEGKPYKJCG-SFHVURJKSA-N 0 0 402.539 2.218 20 10 HECDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCn3cc([N+](=O)[O-])cn3)cc2F)C[C@H](C)O1 ZINC000768521605 1080608397 /nfs/dbraw/zinc/60/83/97/1080608397.db2.gz AEGYDGYAHSVVJS-OKILXGFUSA-N 0 0 420.445 2.043 20 10 HECDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3nnnc3C(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000768523218 1080609149 /nfs/dbraw/zinc/60/91/49/1080609149.db2.gz YQCQUWGMFWNHKN-ZIAGYGMSSA-N 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COc1ccc(N2CCCN(C(=O)C(=O)NCc3ccc(F)c(F)c3)CC2)cc1 ZINC000786683372 1080756124 /nfs/dbraw/zinc/75/61/24/1080756124.db2.gz LYWIRZAEAMSJHP-UHFFFAOYSA-N 0 0 403.429 2.329 20 10 HECDRN Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C2 ZINC000786674930 1080773820 /nfs/dbraw/zinc/77/38/20/1080773820.db2.gz SBQHUVSMCZOPHL-SFHVURJKSA-N 0 0 407.518 2.016 20 10 HECDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000786734859 1080783751 /nfs/dbraw/zinc/78/37/51/1080783751.db2.gz MHVANVWQDHFBHO-UHFFFAOYSA-N 0 0 419.551 2.330 20 10 HECDRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000786742712 1080789853 /nfs/dbraw/zinc/78/98/53/1080789853.db2.gz XEFPZUSRVMYXEC-ZDUSSCGKSA-N 0 0 410.496 2.223 20 10 HECDRN COc1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000786762549 1080804091 /nfs/dbraw/zinc/80/40/91/1080804091.db2.gz TUDWVYAUECCAQN-HNNXBMFYSA-N 0 0 415.465 2.165 20 10 HECDRN Cc1nncn1CCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000746606535 1080814980 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Cc1nccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1Cl ZINC000771767944 1079522567 /nfs/dbraw/zinc/52/25/67/1079522567.db2.gz YNYOHPDFAGCBQA-HNNXBMFYSA-N 0 0 401.898 2.489 20 10 HECDRN COc1ccc(N2CCN(CCCNS(=O)(=O)c3nc(C)c(C)s3)CC2)cc1 ZINC000771934091 1079589856 /nfs/dbraw/zinc/58/98/56/1079589856.db2.gz VYOKZHNGVIAFMG-UHFFFAOYSA-N 0 0 424.592 2.259 20 10 HECDRN COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000771953555 1079599908 /nfs/dbraw/zinc/59/99/08/1079599908.db2.gz QQWZUWRAVKPVGC-GHTZIAJQSA-N 0 0 404.555 2.320 20 10 HECDRN O=c1[nH]c(C=Cc2ccc(N3CCOCC3)c(F)c2)nc2c1cnn2-c1ncccn1 ZINC000746520780 1079640504 /nfs/dbraw/zinc/64/05/04/1079640504.db2.gz SZCRUCSXNQBVIL-HYXAFXHYSA-N 0 0 419.420 2.457 20 10 HECDRN COc1ccc(N2CCCN(C(=O)C(=O)NCCOCc3ccccc3)CC2)cc1 ZINC000804346576 1079661621 /nfs/dbraw/zinc/66/16/21/1079661621.db2.gz OFMJZQNYVQZHQQ-UHFFFAOYSA-N 0 0 411.502 2.067 20 10 HECDRN CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCCCSc1nccs1 ZINC000767169865 1079704728 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HECDRN COc1cccc(OC)c1S(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000772446029 1079881529 /nfs/dbraw/zinc/88/15/29/1079881529.db2.gz HLARWMFPYYXLEQ-UHFFFAOYSA-N 0 0 410.467 2.158 20 10 HECDRN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000772448739 1079882506 /nfs/dbraw/zinc/88/25/06/1079882506.db2.gz XKTLIGFHXJYXSH-MSOLQXFVSA-N 0 0 412.577 2.391 20 10 HECDRN O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000772609353 1079975313 /nfs/dbraw/zinc/97/53/13/1079975313.db2.gz MKAKEEPOOIMTKA-LJQANCHMSA-N 0 0 422.934 2.315 20 10 HECDRN Cc1ccc(S(=O)(=O)NCCNC(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000772605270 1080004889 /nfs/dbraw/zinc/00/48/89/1080004889.db2.gz RYJCRYVXMZXWFT-UHFFFAOYSA-N 0 0 422.576 2.217 20 10 HECDRN COc1ccc(N2CCN(C(=O)CNc3ccc(F)cc3C(=O)N(C)C)CC2)cc1 ZINC000767635408 1080007286 /nfs/dbraw/zinc/00/72/86/1080007286.db2.gz OBJDPGSQEJKZQO-UHFFFAOYSA-N 0 0 414.481 2.297 20 10 HECDRN Cc1nc2ccccc2n1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000785495153 1080018609 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2.078 20 10 HECDRN CNS(=O)(=O)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccc1OC ZINC000743719803 1077096525 /nfs/dbraw/zinc/09/65/25/1077096525.db2.gz ULVGZFPVHXIPTK-UHFFFAOYSA-N 0 0 404.488 2.118 20 10 HECDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000743809376 1077127724 /nfs/dbraw/zinc/12/77/24/1077127724.db2.gz RHKFSTDCWUDDGZ-UHFFFAOYSA-N 0 0 424.295 2.272 20 10 HECDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(-n2cccn2)cc1 ZINC000743817468 1077133380 /nfs/dbraw/zinc/13/33/80/1077133380.db2.gz VLZLEYWLHRFMFF-CYBMUJFWSA-N 0 0 400.460 2.440 20 10 HECDRN CN(C)c1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c2ccccc2n1 ZINC000743820349 1077134236 /nfs/dbraw/zinc/13/42/36/1077134236.db2.gz CKZPYVHMCXIPDU-UHFFFAOYSA-N 0 0 414.487 2.308 20 10 HECDRN Cn1cc(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc21 ZINC000743869257 1077154958 /nfs/dbraw/zinc/15/49/58/1077154958.db2.gz OKPNQEYLEJUCJM-UHFFFAOYSA-N 0 0 411.527 2.272 20 10 HECDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(N3CCSCC3)cc2)c1O ZINC000743915847 1077196755 /nfs/dbraw/zinc/19/67/55/1077196755.db2.gz NWDPGRFAXCVOMK-UHFFFAOYSA-N 0 0 401.488 2.209 20 10 HECDRN COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)NCc2cccc(OC)c2O)cc1 ZINC000743915875 1077197606 /nfs/dbraw/zinc/19/76/06/1077197606.db2.gz OZUFATRSRNWYLS-UHFFFAOYSA-N 0 0 400.431 2.106 20 10 HECDRN CCOc1ccc(N(CC)CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000744391945 1077373835 /nfs/dbraw/zinc/37/38/35/1077373835.db2.gz QMKWILRTXBXOIW-UYAOXDASSA-N 0 0 424.563 2.106 20 10 HECDRN CNC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000744386898 1077377252 /nfs/dbraw/zinc/37/72/52/1077377252.db2.gz GRYZJRSLHQQWDQ-IBGZPJMESA-N 0 0 405.454 2.001 20 10 HECDRN Cc1cc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000744481893 1077412752 /nfs/dbraw/zinc/41/27/52/1077412752.db2.gz LDMCGZOMSNBGSE-UHFFFAOYSA-N 0 0 416.503 2.271 20 10 HECDRN O=C(NCCCN1CCOCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745251304 1077789285 /nfs/dbraw/zinc/78/92/85/1077789285.db2.gz SNMNLMHNRVDSQD-INIZCTEOSA-N 0 0 412.481 2.278 20 10 HECDRN CS(=O)(=O)Nc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000771837779 1079531469 /nfs/dbraw/zinc/53/14/69/1079531469.db2.gz ZQHAKLRNODULCL-UHFFFAOYSA-N 0 0 409.851 2.386 20 10 HECDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccn(Cc2ccccc2)n1 ZINC000772274764 1079775780 /nfs/dbraw/zinc/77/57/80/1079775780.db2.gz FGUQPIHRASHRPK-UHFFFAOYSA-N 0 0 424.526 2.096 20 10 HECDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(-c4nc[nH]n4)c3)cc2)C1 ZINC000767299008 1079798081 /nfs/dbraw/zinc/79/80/81/1079798081.db2.gz PAXBEUMWBBSDBJ-SFHVURJKSA-N 0 0 404.474 2.103 20 10 HECDRN O=C(NCCc1cn2c(n1)SCC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000767302691 1079801299 /nfs/dbraw/zinc/80/12/99/1079801299.db2.gz GCKPFFUFJHMOMB-UHFFFAOYSA-N 0 0 405.499 2.006 20 10 HECDRN Cc1cc(C(=O)COC(=O)[C@H]2CCCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000772313980 1079804611 /nfs/dbraw/zinc/80/46/11/1079804611.db2.gz MPNWFJFGVNIZQE-LJQANCHMSA-N 0 0 420.487 2.037 20 10 HECDRN Cc1cc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)nn1 ZINC000767314427 1079813787 /nfs/dbraw/zinc/81/37/87/1079813787.db2.gz NQVIWPAIMVBZCG-UHFFFAOYSA-N 0 0 421.480 2.279 20 10 HECDRN CCS(=O)(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C ZINC000767391212 1079843022 /nfs/dbraw/zinc/84/30/22/1079843022.db2.gz YAAHSADNCMUFQO-UHFFFAOYSA-N 0 0 424.544 2.481 20 10 HECDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)CC)c2C)cc1 ZINC000767395073 1079844321 /nfs/dbraw/zinc/84/43/21/1079844321.db2.gz ONYKZDGCEVYAKQ-UHFFFAOYSA-N 0 0 422.503 2.158 20 10 HECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000772474721 1079894524 /nfs/dbraw/zinc/89/45/24/1079894524.db2.gz PCFNYZZWUZOUFZ-GOSISDBHSA-N 0 0 408.502 2.343 20 10 HECDRN Cc1nccnc1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001129393279 1079931456 /nfs/dbraw/zinc/93/14/56/1079931456.db2.gz OJEFEBGBADCEIS-UHFFFAOYSA-N 0 0 416.393 2.441 20 10 HECDRN C[C@@H](OC(=O)C[C@H]1COC(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000767602524 1080000716 /nfs/dbraw/zinc/00/07/16/1080000716.db2.gz RDBDLVIOOGVSGI-OLZOCXBDSA-N 0 0 421.405 2.285 20 10 HECDRN COc1ccc(OCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000785557153 1080056727 /nfs/dbraw/zinc/05/67/27/1080056727.db2.gz BNHNSTDPQAZZCG-UHFFFAOYSA-N 0 0 411.502 2.447 20 10 HECDRN Cc1cc(C(=O)COC(=O)CCCCNC(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000785558647 1080057684 /nfs/dbraw/zinc/05/76/84/1080057684.db2.gz DDSKYKSDDCEFKZ-UHFFFAOYSA-N 0 0 415.446 2.387 20 10 HECDRN COc1ccc(N2CCC(NC(=O)C(=O)NCCCOc3ccccc3)CC2)cc1 ZINC000785587327 1080062137 /nfs/dbraw/zinc/06/21/37/1080062137.db2.gz JKAATYDCFSKSSW-UHFFFAOYSA-N 0 0 411.502 2.366 20 10 HECDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000785602121 1080072066 /nfs/dbraw/zinc/07/20/66/1080072066.db2.gz YBYNQZSVXPWILW-IBGZPJMESA-N 0 0 409.465 2.147 20 10 HECDRN CC(C)C(=O)NCCN(C)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000767768763 1080077971 /nfs/dbraw/zinc/07/79/71/1080077971.db2.gz NNTUPWHUOANNCI-OAHLLOKOSA-N 0 0 421.497 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C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)S(=O)(=O)C3CC3)cc2F)C[C@H](C)O1 ZINC000785885260 1080275990 /nfs/dbraw/zinc/27/59/90/1080275990.db2.gz AUXYLNPDKMLMPP-OKILXGFUSA-N 0 0 412.527 2.411 20 10 HECDRN CCOC1CC(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)(N2CCOCC2)C1 ZINC000768078607 1080331053 /nfs/dbraw/zinc/33/10/53/1080331053.db2.gz JDGKCLLTNHDXRM-UHFFFAOYSA-N 0 0 412.534 2.489 20 10 HECDRN COc1cccc(CNC(=O)C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)c1O ZINC000785989094 1080350395 /nfs/dbraw/zinc/35/03/95/1080350395.db2.gz QUEKVXFPUWASPU-UHFFFAOYSA-N 0 0 411.458 2.104 20 10 HECDRN CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)C2CC2)cc1 ZINC000786005572 1080367734 /nfs/dbraw/zinc/36/77/34/1080367734.db2.gz DIKQPNOXLGZOBX-UHFFFAOYSA-N 0 0 418.501 2.141 20 10 HECDRN O=S(=O)(c1ccccc1)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768153142 1080372901 /nfs/dbraw/zinc/37/29/01/1080372901.db2.gz UGVGYGFNXDFTEZ-UHFFFAOYSA-N 0 0 401.532 2.030 20 10 HECDRN COc1cccc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1O ZINC000768155181 1080374783 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2.023 20 10 HECDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000768197491 1080413166 /nfs/dbraw/zinc/41/31/66/1080413166.db2.gz QYZUWOLPJCZODH-NSHDSACASA-N 0 0 413.386 2.020 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cnc(Cl)c(C)c3)cc2)CC1 ZINC000786120138 1080436139 /nfs/dbraw/zinc/43/61/39/1080436139.db2.gz ISSMGXPRIROXRZ-UHFFFAOYSA-N 0 0 422.938 2.190 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(F)c(C)c3)cc2)CC1 ZINC000786121161 1080437667 /nfs/dbraw/zinc/43/76/67/1080437667.db2.gz BOOPGACPQVOLNA-UHFFFAOYSA-N 0 0 405.495 2.281 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(F)c(C)cc3F)cc2)CC1 ZINC000786121163 1080437832 /nfs/dbraw/zinc/43/78/32/1080437832.db2.gz BPIACYFGVNRBEL-UHFFFAOYSA-N 0 0 423.485 2.420 20 10 HECDRN CC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 ZINC000786121222 1080438623 /nfs/dbraw/zinc/43/86/23/1080438623.db2.gz FCYKSFOVFIWTEW-UHFFFAOYSA-N 0 0 415.515 2.036 20 10 HECDRN CC(C)(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@H]1O ZINC000768257909 1080445213 /nfs/dbraw/zinc/44/52/13/1080445213.db2.gz PWMWNTZTUPNNQD-DFQSSKMNSA-N 0 0 416.566 2.327 20 10 HECDRN COc1cc(O)c([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC ZINC000768265909 1080449876 /nfs/dbraw/zinc/44/98/76/1080449876.db2.gz HHXVBBBRWNFAOY-SFHVURJKSA-N 0 0 411.418 2.417 20 10 HECDRN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NCCc3ccc(O)c(O)c3)C[C@@H](C1)C2=O ZINC000768285886 1080458484 /nfs/dbraw/zinc/45/84/84/1080458484.db2.gz ILRSPFSKLLLVCC-MQVJKMGUSA-N 0 0 418.490 2.219 20 10 HECDRN CS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000786203894 1080470786 /nfs/dbraw/zinc/47/07/86/1080470786.db2.gz QLQRTMWODDGKJI-UHFFFAOYSA-N 0 0 420.506 2.368 20 10 HECDRN COc1cc(Br)cc(CN2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000768342119 1080498259 /nfs/dbraw/zinc/49/82/59/1080498259.db2.gz PIOANIPPAHBGHI-CYBMUJFWSA-N 0 0 407.330 2.067 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ncn(C)n4)cc3)cc2)CC1 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401.378 2.356 20 10 HECDRN COc1cc(OC)cc(N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000786442574 1080604882 /nfs/dbraw/zinc/60/48/82/1080604882.db2.gz OTOHMFOZZJKPNZ-UHFFFAOYSA-N 0 0 417.481 2.432 20 10 HECDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000768521476 1080608402 /nfs/dbraw/zinc/60/84/02/1080608402.db2.gz BJNHINSENSDTEK-ZDUSSCGKSA-N 0 0 424.408 2.361 20 10 HECDRN CC(C)[C@@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)C(N)=O ZINC001129393408 1080613944 /nfs/dbraw/zinc/61/39/44/1080613944.db2.gz ICANIAFDZACQEH-UZGISAJGSA-N 0 0 409.508 2.043 20 10 HECDRN CN(C)c1ccc(CNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)cc1F ZINC000768562305 1080630650 /nfs/dbraw/zinc/63/06/50/1080630650.db2.gz OYHRCGPTCPGURB-NRFANRHFSA-N 0 0 404.486 2.399 20 10 HECDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC(F)(F)CO ZINC000768644635 1080696076 /nfs/dbraw/zinc/69/60/76/1080696076.db2.gz HITHQNZMZBOGQY-YRNVUSSQSA-N 0 0 406.501 2.473 20 10 HECDRN CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)N1CCOCC1 ZINC000786601182 1080702309 /nfs/dbraw/zinc/70/23/09/1080702309.db2.gz YPHTZLZZNKZGSV-DYESRHJHSA-N 0 0 418.582 2.183 20 10 HECDRN O=C(NCc1ccc(Cl)nc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000786614620 1080711300 /nfs/dbraw/zinc/71/13/00/1080711300.db2.gz QFPNHFPJDDGXGL-MRXNPFEDSA-N 0 0 403.866 2.265 20 10 HECDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1 ZINC000768719698 1080736472 /nfs/dbraw/zinc/73/64/72/1080736472.db2.gz DBUMJPVGCFHPGE-UHFFFAOYSA-N 0 0 400.822 2.495 20 10 HECDRN CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000786655571 1080741584 /nfs/dbraw/zinc/74/15/84/1080741584.db2.gz FQRHBQUJDSJNSL-OAQYLSRUSA-N 0 0 414.550 2.153 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cncc(-c4cnn(C)c4)c3)cc2)CC1 ZINC000786659749 1080746053 /nfs/dbraw/zinc/74/60/53/1080746053.db2.gz NIWMYLRGYPZKMA-UHFFFAOYSA-N 0 0 418.501 2.081 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)o3)cc2)CC1 ZINC000786659759 1080746095 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/nfs/dbraw/zinc/89/85/49/1076898549.db2.gz JEBZUUBNFGGPFN-UHFFFAOYSA-N 0 0 407.312 2.338 20 10 HECDRN COc1ccc(N2CCN(CCNC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000742948475 1076899453 /nfs/dbraw/zinc/89/94/53/1076899453.db2.gz UCSDJVJWJBBXIA-UHFFFAOYSA-N 0 0 423.561 2.349 20 10 HECDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCOc4cc(N(C)C)ccc43)C2=O)cc1 ZINC000742952629 1076900261 /nfs/dbraw/zinc/90/02/61/1076900261.db2.gz PILVCTZHGDBQMN-QHCPKHFHSA-N 0 0 422.485 2.254 20 10 HECDRN COc1ccc(N2CCN(CCNC(=O)Nc3ccc(-n4cccn4)nc3)CC2)cc1 ZINC000743294541 1077025921 /nfs/dbraw/zinc/02/59/21/1077025921.db2.gz NLEIPKVYLWACOM-UHFFFAOYSA-N 0 0 421.505 2.220 20 10 HECDRN C[C@H](NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000743321588 1077028610 /nfs/dbraw/zinc/02/86/10/1077028610.db2.gz HWMQRNFIBSRTLC-JXFKEZNVSA-N 0 0 421.497 2.219 20 10 HECDRN O=C(CN1CCN(c2ccccn2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000743339022 1077030075 /nfs/dbraw/zinc/03/00/75/1077030075.db2.gz MVPDYQPBVCRIGQ-HXUWFJFHSA-N 0 0 410.518 2.117 20 10 HECDRN COc1ccc(N2CCN(CCNC(=O)N[C@@H](CO)C3CCCCC3)CC2)cc1 ZINC000743362375 1077032701 /nfs/dbraw/zinc/03/27/01/1077032701.db2.gz BBECDORFCKLYLK-NRFANRHFSA-N 0 0 404.555 2.058 20 10 HECDRN COc1ccc(N2CCN(CCNC(=O)NCCCn3nc(C)cc3C)CC2)cc1 ZINC000743363940 1077032942 /nfs/dbraw/zinc/03/29/42/1077032942.db2.gz XVBOROQBCXMCIE-UHFFFAOYSA-N 0 0 414.554 2.020 20 10 HECDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000743432162 1077046693 /nfs/dbraw/zinc/04/66/93/1077046693.db2.gz HNBTYKGMWPXQIR-UHFFFAOYSA-N 0 0 414.481 2.020 20 10 HECDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1 ZINC000743639606 1077085690 /nfs/dbraw/zinc/08/56/90/1077085690.db2.gz WULBXHSOOKZXFL-JKSUJKDBSA-N 0 0 413.474 2.441 20 10 HECDRN COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000743641467 1077085998 /nfs/dbraw/zinc/08/59/98/1077085998.db2.gz JKPUCJXVBPEJBW-UHFFFAOYSA-N 0 0 406.460 2.467 20 10 HECDRN COCCNS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000743716117 1077095624 /nfs/dbraw/zinc/09/56/24/1077095624.db2.gz IWJMLOPNPOPFPT-UHFFFAOYSA-N 0 0 418.515 2.126 20 10 HECDRN O=C(CNC(=O)c1cnc2ccccc2c1O)NCc1c(O)ccc2c1CCCC2 ZINC000743717653 1077096281 /nfs/dbraw/zinc/09/62/81/1077096281.db2.gz QLGYXXROVVUQTM-UHFFFAOYSA-N 0 0 405.454 2.159 20 10 HECDRN CN(C)C(=O)C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2O)c2ccc(Cl)cc21 ZINC000743901162 1077213830 /nfs/dbraw/zinc/21/38/30/1077213830.db2.gz ABZVSBFUWNOZMW-CQSZACIVSA-N 0 0 415.877 2.271 20 10 HECDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCNC(=O)CC1 ZINC000743927249 1077251057 /nfs/dbraw/zinc/25/10/57/1077251057.db2.gz OYGKOTVKQMWTDA-ACCUITESSA-N 0 0 409.558 2.078 20 10 HECDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000743956383 1077264218 /nfs/dbraw/zinc/26/42/18/1077264218.db2.gz SHAOTOHBBQBLDB-UHFFFAOYSA-N 0 0 407.470 2.418 20 10 HECDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000743955969 1077264628 /nfs/dbraw/zinc/26/46/28/1077264628.db2.gz OMTSUSHJLQMNRT-UHFFFAOYSA-N 0 0 422.485 2.446 20 10 HECDRN NC(=O)CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CCCC1 ZINC000744388164 1077377193 /nfs/dbraw/zinc/37/71/93/1077377193.db2.gz NEYPMOJGONEVNU-UHFFFAOYSA-N 0 0 405.454 2.130 20 10 HECDRN CNC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000744386902 1077377206 /nfs/dbraw/zinc/37/72/06/1077377206.db2.gz GRYZJRSLHQQWDQ-LJQANCHMSA-N 0 0 405.454 2.001 20 10 HECDRN CC[C@@H](CO)N1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 ZINC000744420202 1077378884 /nfs/dbraw/zinc/37/88/84/1077378884.db2.gz YENMTRHUNNDGQT-SFHVURJKSA-N 0 0 413.518 2.394 20 10 HECDRN CCn1c(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)nc2ccccc21 ZINC000744407795 1077382437 /nfs/dbraw/zinc/38/24/37/1077382437.db2.gz AGYYQSKSLREEBL-UHFFFAOYSA-N 0 0 402.476 2.106 20 10 HECDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(c3ccc(CC)cc3)CC1)cc2=O ZINC000744423125 1077385991 /nfs/dbraw/zinc/38/59/91/1077385991.db2.gz YEPISNNUMDFQEB-UHFFFAOYSA-N 0 0 409.490 2.496 20 10 HECDRN CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000744473413 1077408613 /nfs/dbraw/zinc/40/86/13/1077408613.db2.gz DWTHWFHNSKYDKN-GFCCVEGCSA-N 0 0 408.410 2.242 20 10 HECDRN CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000744474347 1077409216 /nfs/dbraw/zinc/40/92/16/1077409216.db2.gz RULVGYIZHJJXBH-CYBMUJFWSA-N 0 0 422.437 2.489 20 10 HECDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000744832661 1077614015 /nfs/dbraw/zinc/61/40/15/1077614015.db2.gz HVMUEQXIRRGQDG-UHFFFAOYSA-N 0 0 408.505 2.024 20 10 HECDRN CCn1nc(C)c(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1Cl ZINC000745361308 1077814731 /nfs/dbraw/zinc/81/47/31/1077814731.db2.gz XESOPXGTTPDXTJ-UHFFFAOYSA-N 0 0 420.897 2.379 20 10 HECDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCO[C@@H](c3cccc(OC)c3)C1)cc2=O ZINC000767075626 1079647046 /nfs/dbraw/zinc/64/70/46/1079647046.db2.gz XNGZTYWDCWSHTH-GOSISDBHSA-N 0 0 412.446 2.194 20 10 HECDRN Cc1cc(C(=O)CSc2n[nH]c(CO)n2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000767077073 1079648680 /nfs/dbraw/zinc/64/86/80/1079648680.db2.gz ARWRDAOYRUUHSF-UHFFFAOYSA-N 0 0 400.460 2.451 20 10 HECDRN CCC1(O)CCC(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000772084300 1079693606 /nfs/dbraw/zinc/69/36/06/1079693606.db2.gz ZGPOYKDFAZSPFP-PDDLGQBUSA-N 0 0 402.539 2.271 20 10 HECDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2c(c1)S(=O)(=O)CC2 ZINC000772073817 1079709100 /nfs/dbraw/zinc/70/91/00/1079709100.db2.gz AXSGSJLPCOLWLK-UHFFFAOYSA-N 0 0 406.847 2.344 20 10 HECDRN CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000767175016 1079709150 /nfs/dbraw/zinc/70/91/50/1079709150.db2.gz RRXXWHXDDOZOSO-UHFFFAOYSA-N 0 0 407.511 2.157 20 10 HECDRN CC(C)(C)n1nccc1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000772210047 1079741848 /nfs/dbraw/zinc/74/18/48/1079741848.db2.gz AMGPVRIPFGLGQX-UHFFFAOYSA-N 0 0 413.522 2.102 20 10 HECDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(-c4nc[nH]n4)c3)cc2)C1 ZINC000767299000 1079798559 /nfs/dbraw/zinc/79/85/59/1079798559.db2.gz PAXBEUMWBBSDBJ-GOSISDBHSA-N 0 0 404.474 2.103 20 10 HECDRN CC(=O)CCCC(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000772370128 1079850243 /nfs/dbraw/zinc/85/02/43/1079850243.db2.gz FAMNSWNFKZPKFF-HZPDHXFCSA-N 0 0 408.470 2.358 20 10 HECDRN Nc1c(C(=O)OCCN2C[C@H]3CC[C@@H](C2)O3)ccc2c1C(=O)c1ccccc1C2=O ZINC000767419047 1079854939 /nfs/dbraw/zinc/85/49/39/1079854939.db2.gz GVKBOXLJYQPPGU-OKILXGFUSA-N 0 0 406.438 2.064 20 10 HECDRN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000772452068 1079883843 /nfs/dbraw/zinc/88/38/43/1079883843.db2.gz PPQVRQKYFMFFQQ-OALUTQOASA-N 0 0 410.536 2.269 20 10 HECDRN CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)C2CC2)cc1 ZINC000772470682 1079892848 /nfs/dbraw/zinc/89/28/48/1079892848.db2.gz IXSRYQIHPYOWHB-GOSISDBHSA-N 0 0 420.513 2.486 20 10 HECDRN Cc1ccc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)c(O)c1O ZINC000804354452 1079896952 /nfs/dbraw/zinc/89/69/52/1079896952.db2.gz LIUXTOVXGNWJIM-UHFFFAOYSA-N 0 0 419.286 2.421 20 10 HECDRN CC(=O)N1CCC(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000785505354 1080025962 /nfs/dbraw/zinc/02/59/62/1080025962.db2.gz MFYYDYCBUBULSQ-UHFFFAOYSA-N 0 0 401.507 2.181 20 10 HECDRN CCn1nc(C)c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1Cl ZINC000742051525 1080032986 /nfs/dbraw/zinc/03/29/86/1080032986.db2.gz VODGBMMYCPMVGN-UHFFFAOYSA-N 0 0 410.927 2.030 20 10 HECDRN Cc1cc(C(=O)CN(C[C@@H](C)O)[C@@H](C)CO)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000785533777 1080043565 /nfs/dbraw/zinc/04/35/65/1080043565.db2.gz DVADZXRFHXENTM-JKSUJKDBSA-N 0 0 402.491 2.112 20 10 HECDRN Cn1cnnc1[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000767757079 1080072608 /nfs/dbraw/zinc/07/26/08/1080072608.db2.gz OLMSFHMFBOOTHR-LJQANCHMSA-N 0 0 415.453 2.366 20 10 HECDRN CC(C)C(=O)NCCN(C)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000767775191 1080082050 /nfs/dbraw/zinc/08/20/50/1080082050.db2.gz LRUDMXLXDSVASK-HNNXBMFYSA-N 0 0 421.497 2.493 20 10 HECDRN O=C(CN1CCc2cccc(F)c2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000767777971 1080084103 /nfs/dbraw/zinc/08/41/03/1080084103.db2.gz FPGJTADAPOITIF-UHFFFAOYSA-N 0 0 401.457 2.476 20 10 HECDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000767784563 1080091280 /nfs/dbraw/zinc/09/12/80/1080091280.db2.gz DEHHXKFNCQMXBK-WOJBJXKFSA-N 0 0 406.548 2.133 20 10 HECDRN CN(CCNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000785625777 1080137293 /nfs/dbraw/zinc/13/72/93/1080137293.db2.gz WXGZGSDUYJIXCM-FQEVSTJZSA-N 0 0 411.502 2.152 20 10 HECDRN COc1cc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)ccc1O ZINC000785632518 1080145499 /nfs/dbraw/zinc/14/54/99/1080145499.db2.gz MNZCYOKZCQRGJX-UHFFFAOYSA-N 0 0 402.447 2.389 20 10 HECDRN COc1cc(OC)cc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000767834977 1080152222 /nfs/dbraw/zinc/15/22/22/1080152222.db2.gz BMYUBIHDPDUVOQ-UHFFFAOYSA-N 0 0 410.467 2.158 20 10 HECDRN O=C(NCCCCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000785664386 1080184327 /nfs/dbraw/zinc/18/43/27/1080184327.db2.gz YESIIGRBWLYGHB-UHFFFAOYSA-N 0 0 413.493 2.418 20 10 HECDRN CCOC(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000785670951 1080190331 /nfs/dbraw/zinc/19/03/31/1080190331.db2.gz YFACAWOSHUSHSE-LBPRGKRZSA-N 0 0 424.409 2.078 20 10 HECDRN COc1c(Br)c([N+](=O)[O-])c(N2C[C@@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000785753871 1080233128 /nfs/dbraw/zinc/23/31/28/1080233128.db2.gz OAJXJSFLMCUVKG-SFYZADRCSA-N 0 0 417.216 2.364 20 10 HECDRN CC[C@]1(C)CC(=O)N(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1=O ZINC000767942563 1080235479 /nfs/dbraw/zinc/23/54/79/1080235479.db2.gz LKOOMTFKZOQYEA-AYSMAOOMSA-N 0 0 419.497 2.231 20 10 HECDRN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccnn2C)NC(=O)OC(C)(C)C)cc1 ZINC000767969516 1080240832 /nfs/dbraw/zinc/24/08/32/1080240832.db2.gz MKAZKYUTWQRQJW-GOSISDBHSA-N 0 0 401.511 2.411 20 10 HECDRN C[C@]1(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCO[C@@H]1C1CC1 ZINC000767955932 1080250063 /nfs/dbraw/zinc/25/00/63/1080250063.db2.gz QKNJWCACJBQLGP-JXHRLWIKSA-N 0 0 414.550 2.393 20 10 HECDRN 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COc1cc2c(cc1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)O[C@H](C)C2 ZINC000786626748 1080721659 /nfs/dbraw/zinc/72/16/59/1080721659.db2.gz MUNLIFIWEKNLGS-OAHLLOKOSA-N 0 0 411.502 2.359 20 10 HECDRN C[C@H](NC(=O)NCCC1CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000768711775 1080728960 /nfs/dbraw/zinc/72/89/60/1080728960.db2.gz UGBXRHYORQTCEM-INIZCTEOSA-N 0 0 409.552 2.098 20 10 HECDRN CCCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000786655566 1080741473 /nfs/dbraw/zinc/74/14/73/1080741473.db2.gz FQRHBQUJDSJNSL-NRFANRHFSA-N 0 0 414.550 2.153 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCN3c3nccs3)cc2)CC1 ZINC000786655604 1080741768 /nfs/dbraw/zinc/74/17/68/1080741768.db2.gz GGGRMEKNTPNOOG-LJQANCHMSA-N 0 0 413.547 2.097 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(-n4cccn4)c3)cc2)CC1 ZINC000786661083 1080746598 /nfs/dbraw/zinc/74/65/98/1080746598.db2.gz OIAQKOLSNPCDAL-UHFFFAOYSA-N 0 0 403.486 2.471 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3F)cc2)CC1 ZINC000786660806 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421.497 2.493 20 10 HECDRN CSCC[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000767774138 1080082030 /nfs/dbraw/zinc/08/20/30/1080082030.db2.gz KHFZOOPSKRBDCG-OWCLPIDISA-N 0 0 420.531 2.053 20 10 HECDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000767795286 1080098739 /nfs/dbraw/zinc/09/87/39/1080098739.db2.gz WHJQIGVGEDPOOL-CYBMUJFWSA-N 0 0 411.451 2.434 20 10 HECDRN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C(=O)OC)c1ccc(F)c(C)c1)cc2=O ZINC000767885779 1080202570 /nfs/dbraw/zinc/20/25/70/1080202570.db2.gz UXUAZTHYGXUWCD-QGZVFWFLSA-N 0 0 416.409 2.063 20 10 HECDRN CCOC1CC(CNC(=O)NCc2ccc3c(c2)CCCN3C)(N2CCOCC2)C1 ZINC000767887448 1080203116 /nfs/dbraw/zinc/20/31/16/1080203116.db2.gz GYXWHHVKNAZGCJ-UHFFFAOYSA-N 0 0 416.566 2.138 20 10 HECDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cnn(C(F)F)c3)CC2)cc1 ZINC000767890582 1080205822 /nfs/dbraw/zinc/20/58/22/1080205822.db2.gz MIVFLDKYLNPCJI-VOTSOKGWSA-N 0 0 405.405 2.130 20 10 HECDRN COCCC(=O)N1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000767937145 1080231596 /nfs/dbraw/zinc/23/15/96/1080231596.db2.gz PGHPQPVZSQHJTE-UHFFFAOYSA-N 0 0 420.579 2.067 20 10 HECDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000785755718 1080234217 /nfs/dbraw/zinc/23/42/17/1080234217.db2.gz TUIKZCKSDVTGJW-UHFFFAOYSA-N 0 0 402.516 2.128 20 10 HECDRN COc1ccc(O)c([C@H](C)NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000767958295 1080251178 /nfs/dbraw/zinc/25/11/78/1080251178.db2.gz NANJDJKOBWCTQU-INIZCTEOSA-N 0 0 412.490 2.102 20 10 HECDRN CC(C)c1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)n(-c2ncccn2)n1 ZINC000768013123 1080281932 /nfs/dbraw/zinc/28/19/32/1080281932.db2.gz WCGPVYBLTXORLP-UHFFFAOYSA-N 0 0 421.505 2.449 20 10 HECDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)c1 ZINC000768073691 1080326664 /nfs/dbraw/zinc/32/66/64/1080326664.db2.gz GWLHZUAVEFPWTA-UHFFFAOYSA-N 0 0 400.822 2.495 20 10 HECDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000785989535 1080350479 /nfs/dbraw/zinc/35/04/79/1080350479.db2.gz YNKBWQBVFCJVKI-UHFFFAOYSA-N 0 0 420.517 2.387 20 10 HECDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000786003310 1080364820 /nfs/dbraw/zinc/36/48/20/1080364820.db2.gz ORKPKNLZLGPEDG-UHFFFAOYSA-N 0 0 407.474 2.418 20 10 HECDRN COc1cccc(CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)c1O ZINC000768166574 1080380585 /nfs/dbraw/zinc/38/05/85/1080380585.db2.gz PWJATOCWNDLFMH-UHFFFAOYSA-N 0 0 414.643 2.467 20 10 HECDRN CCN(CC)C(=O)CN1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000768214979 1080416962 /nfs/dbraw/zinc/41/69/62/1080416962.db2.gz LCPUUPINWLABDV-UHFFFAOYSA-N 0 0 414.344 2.149 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(C)cc3F)cc2)CC1 ZINC000786121668 1080437006 /nfs/dbraw/zinc/43/70/06/1080437006.db2.gz JPGUCHIUILHWCW-UHFFFAOYSA-N 0 0 405.495 2.281 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(F)ccc3F)cc2)CC1 ZINC000786122785 1080438556 /nfs/dbraw/zinc/43/85/56/1080438556.db2.gz ZUHDXNOZHBCHSG-UHFFFAOYSA-N 0 0 409.458 2.112 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3ccccc3C)cc2)CC1 ZINC000786122573 1080439436 /nfs/dbraw/zinc/43/94/36/1080439436.db2.gz UGFWOWMEFJUDDC-UHFFFAOYSA-N 0 0 401.532 2.283 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCC4)cc2)CC1 ZINC000786122571 1080439464 /nfs/dbraw/zinc/43/94/64/1080439464.db2.gz UFVNFPZQDJRCMG-UHFFFAOYSA-N 0 0 413.543 2.322 20 10 HECDRN COC[C@@H]1CCCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000768255769 1080445148 /nfs/dbraw/zinc/44/51/48/1080445148.db2.gz IYMNNAHXZBXFLV-RTBURBONSA-N 0 0 402.539 2.346 20 10 HECDRN Cc1cc(N2CC[NH+](Cc3cccc(Br)c3[O-])CC2)n2ncnc2n1 ZINC000768303313 1080474529 /nfs/dbraw/zinc/47/45/29/1080474529.db2.gz OUJYJUNQZBRREK-UHFFFAOYSA-N 0 0 403.284 2.223 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000786256077 1080495708 /nfs/dbraw/zinc/49/57/08/1080495708.db2.gz QSLHOTOYYRUZTA-UHFFFAOYSA-N 0 0 417.513 2.400 20 10 HECDRN COc1cccc(OC)c1CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000786257136 1080497214 /nfs/dbraw/zinc/49/72/14/1080497214.db2.gz NHNYBAREMFGNQU-UHFFFAOYSA-N 0 0 411.502 2.231 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(NC(=O)N(C)C)c3)cc2)CC1 ZINC000786259937 1080498722 /nfs/dbraw/zinc/49/87/22/1080498722.db2.gz SUJUULFTCXIISB-UHFFFAOYSA-N 0 0 423.517 2.379 20 10 HECDRN Cc1cccc(C[C@H](CO)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000786225176 1080506766 /nfs/dbraw/zinc/50/67/66/1080506766.db2.gz OQFSQKBVDSRPGA-NHCUHLMSSA-N 0 0 424.545 2.100 20 10 HECDRN COc1ccc(N2CCN(C(=O)COC(=O)c3c(C)[nH]nc3C(C)C)CC2)cc1 ZINC000786340933 1080551713 /nfs/dbraw/zinc/55/17/13/1080551713.db2.gz CQNYJEKGOZMHCP-UHFFFAOYSA-N 0 0 400.479 2.356 20 10 HECDRN Cn1cc(-c2ncccc2NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000786342178 1080552254 /nfs/dbraw/zinc/55/22/54/1080552254.db2.gz IPGCGGICJVAGIV-UHFFFAOYSA-N 0 0 405.458 2.321 20 10 HECDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786349352 1080554338 /nfs/dbraw/zinc/55/43/38/1080554338.db2.gz FNVNRVVDIVNULB-UHFFFAOYSA-N 0 0 422.529 2.230 20 10 HECDRN CCOC(=O)c1ccc(N2CCN(Cc3cc(OC)c(OC)cc3O)CC2)nc1 ZINC000768440136 1080560314 /nfs/dbraw/zinc/56/03/14/1080560314.db2.gz DHCKFALCRJDGKK-UHFFFAOYSA-N 0 0 401.463 2.303 20 10 HECDRN O=C(CN1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1)Nc1ccccc1Cl ZINC000768440816 1080561179 /nfs/dbraw/zinc/56/11/79/1080561179.db2.gz FAJCGPWOUJSTMT-LJQANCHMSA-N 0 0 417.893 2.228 20 10 HECDRN O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768441538 1080562309 /nfs/dbraw/zinc/56/23/09/1080562309.db2.gz DGVYUGCQPWRBHQ-NRFANRHFSA-N 0 0 407.470 2.186 20 10 HECDRN COC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442737 1080562720 /nfs/dbraw/zinc/56/27/20/1080562720.db2.gz NNSZKMPKUDIBDB-IBGZPJMESA-N 0 0 403.431 2.010 20 10 HECDRN COc1cc(O)c(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC ZINC000768442401 1080563449 /nfs/dbraw/zinc/56/34/49/1080563449.db2.gz USHMAIFOLZCDPI-UHFFFAOYSA-N 0 0 400.431 2.096 20 10 HECDRN OC[C@H](c1ccc(Cl)cc1)N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768445025 1080563941 /nfs/dbraw/zinc/56/39/41/1080563941.db2.gz DZGMCDDPYFWJJB-QUCCMNQESA-N 0 0 404.894 2.323 20 10 HECDRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000768444405 1080564452 /nfs/dbraw/zinc/56/44/52/1080564452.db2.gz AXDCAWAAUDNZGX-HRAATJIYSA-N 0 0 412.486 2.238 20 10 HECDRN O=C(Cc1ccccc1Cl)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768444810 1080564486 /nfs/dbraw/zinc/56/44/86/1080564486.db2.gz YMRWEMKZPLPTNV-LJQANCHMSA-N 0 0 402.878 2.358 20 10 HECDRN COC[C@@](C)(CO)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000768451459 1080568742 /nfs/dbraw/zinc/56/87/42/1080568742.db2.gz HXWBZZHHLDZOOT-HOFZKYPUSA-N 0 0 414.574 2.243 20 10 HECDRN CN(C)c1ccc(CNC(=O)c2nccc3c2cccc3S(N)(=O)=O)cc1F ZINC000768481443 1080576602 /nfs/dbraw/zinc/57/66/02/1080576602.db2.gz PNKQQCRSLGVNEE-UHFFFAOYSA-N 0 0 402.451 2.017 20 10 HECDRN CC(C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)S(=O)(=O)C1CC1 ZINC000786412045 1080590809 /nfs/dbraw/zinc/59/08/09/1080590809.db2.gz ZTOONZQVSNAITF-OAHLLOKOSA-N 0 0 414.955 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ZINC000768715583 1080732452 /nfs/dbraw/zinc/73/24/52/1080732452.db2.gz SGGDVDYDRHVAOF-UHFFFAOYSA-N 0 0 401.511 2.052 20 10 HECDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2nc(-c3nccn3C)cs2)c1 ZINC000768718493 1080733028 /nfs/dbraw/zinc/73/30/28/1080733028.db2.gz ITFAHSUVPQKYHM-SNVBAGLBSA-N 0 0 401.448 2.074 20 10 HECDRN COCCc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n(C)n1 ZINC000768720772 1080738646 /nfs/dbraw/zinc/73/86/46/1080738646.db2.gz VUWMMMQERCALTM-UHFFFAOYSA-N 0 0 413.522 2.100 20 10 HECDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](C)c3cccc(O)c3)CC2)cc1 ZINC000768723143 1080740490 /nfs/dbraw/zinc/74/04/90/1080740490.db2.gz WFZUOADCLBDQDA-MQNTZWLQSA-N 0 0 409.486 2.483 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(-c4ccccn4)no3)cc2)CC1 ZINC000786655539 1080741631 /nfs/dbraw/zinc/74/16/31/1080741631.db2.gz FMZUSUCVLXOGGZ-UHFFFAOYSA-N 0 0 405.458 2.335 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(c4ccccc4)=NO3)cc2)CC1 ZINC000786656539 1080743155 /nfs/dbraw/zinc/74/31/55/1080743155.db2.gz 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Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000785596981 1080068181 /nfs/dbraw/zinc/06/81/81/1080068181.db2.gz CGHPCVKVPWQARW-FQEVSTJZSA-N 0 0 423.492 2.456 20 10 HECDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000785599362 1080068969 /nfs/dbraw/zinc/06/89/69/1080068969.db2.gz BKXUWHIUDOFYKO-FQEVSTJZSA-N 0 0 423.492 2.456 20 10 HECDRN CCCCn1c2nc(CN3CCOc4cc(N(C)C)ccc43)n(C)c2c(=O)[nH]c1=O ZINC000746492299 1080092316 /nfs/dbraw/zinc/09/23/16/1080092316.db2.gz IBFLBXJDIZXRIU-UHFFFAOYSA-N 0 0 412.494 2.101 20 10 HECDRN Cc1nc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 ZINC000785670334 1080188766 /nfs/dbraw/zinc/18/87/66/1080188766.db2.gz ORZDWLYRHVTMCU-ZDUSSCGKSA-N 0 0 424.473 2.454 20 10 HECDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(cc3F)NC(=O)CC4)cc2)C1 ZINC000767888799 1080205857 /nfs/dbraw/zinc/20/58/57/1080205857.db2.gz SSJMFYWFSKZBST-MRXNPFEDSA-N 0 0 424.476 2.342 20 10 HECDRN COc1ccc(N2CCN(C(=O)/C=C/CN(C)CC(F)(F)F)CC2)c(OC)c1 ZINC001169977137 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COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3(CCO)CCCCC3)CC2)cc1 ZINC000768394784 1080540234 /nfs/dbraw/zinc/54/02/34/1080540234.db2.gz UTTVRHMATAZCKJ-KTKRTIGZSA-N 0 0 415.534 2.102 20 10 HECDRN CN1CCCc2cc(CNC(=O)c3nccc4c3cccc4S(N)(=O)=O)ccc21 ZINC000768481351 1080576617 /nfs/dbraw/zinc/57/66/17/1080576617.db2.gz LBXLGCOIHRSPJP-UHFFFAOYSA-N 0 0 410.499 2.195 20 10 HECDRN O=C(Cn1nnnc1/C=C\c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000768458018 1080580778 /nfs/dbraw/zinc/58/07/78/1080580778.db2.gz OOCQYUZVWYKURO-CLFYSBASSA-N 0 0 422.464 2.136 20 10 HECDRN O=S1(=O)CC[C@H](N(Cc2ccccc2F)Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463478 1080584584 /nfs/dbraw/zinc/58/45/84/1080584584.db2.gz JOMBKXJNCSOZSQ-KXBFYZLASA-N 0 0 407.463 2.146 20 10 HECDRN O=C1NCCN(Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1cccc(Br)c1 ZINC000768466261 1080585387 /nfs/dbraw/zinc/58/53/87/1080585387.db2.gz XBKOEIBVNXWUJJ-SJLPKXTDSA-N 0 0 419.275 2.254 20 10 HECDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000768521474 1080608155 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KHFZOOPSKRBDCG-HRCADAONSA-N 0 0 420.531 2.053 20 10 HECDRN CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCOc3cc(N(C)C)ccc32)CC1 ZINC000746492201 1080092194 /nfs/dbraw/zinc/09/21/94/1080092194.db2.gz CRJNWYHDYFPPHJ-UHFFFAOYSA-N 0 0 402.539 2.057 20 10 HECDRN COc1cccc(CNS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1O ZINC000767792830 1080097855 /nfs/dbraw/zinc/09/78/55/1080097855.db2.gz KHINWERKLFULDY-CYBMUJFWSA-N 0 0 411.451 2.434 20 10 HECDRN Cc1nc(CNC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000785670930 1080190219 /nfs/dbraw/zinc/19/02/19/1080190219.db2.gz PNOACMXIGLGUPT-BETUJISGSA-N 0 0 420.510 2.137 20 10 HECDRN CCOC(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000785670949 1080190225 /nfs/dbraw/zinc/19/02/25/1080190225.db2.gz YFACAWOSHUSHSE-GFCCVEGCSA-N 0 0 424.409 2.078 20 10 HECDRN CN(c1ccc(CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1)C1CCCCC1 ZINC000785863910 1080287391 /nfs/dbraw/zinc/28/73/91/1080287391.db2.gz GDFNTAXWUUTLPT-IBGZPJMESA-N 0 0 408.568 2.418 20 10 HECDRN CN(c1ccc(CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1)C1CCCCC1 ZINC000785863911 1080287527 /nfs/dbraw/zinc/28/75/27/1080287527.db2.gz GDFNTAXWUUTLPT-LJQANCHMSA-N 0 0 408.568 2.418 20 10 HECDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]1CO ZINC000785865072 1080287920 /nfs/dbraw/zinc/28/79/20/1080287920.db2.gz VPKPDGDEVXIINN-DYVFJYSZSA-N 0 0 401.429 2.454 20 10 HECDRN C[C@H](CO)N(C[C@H](C)O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000785872666 1080291403 /nfs/dbraw/zinc/29/14/03/1080291403.db2.gz RTTBSCJJLJHXPN-KGLIPLIRSA-N 0 0 401.454 2.030 20 10 HECDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 ZINC000768078523 1080331138 /nfs/dbraw/zinc/33/11/38/1080331138.db2.gz IQVATECHUYBLTE-NSHDSACASA-N 0 0 413.386 2.453 20 10 HECDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)c1 ZINC000768146825 1080353347 /nfs/dbraw/zinc/35/33/47/1080353347.db2.gz UUYSXESXDZAEGN-LBPRGKRZSA-N 0 0 422.445 2.070 20 10 HECDRN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 ZINC000768130133 1080365273 /nfs/dbraw/zinc/36/52/73/1080365273.db2.gz OBIQQYNXYHZUSR-NWDGAFQWSA-N 0 0 421.409 2.144 20 10 HECDRN COc1cc2c(cc1NC(=O)C(=O)NCc1c(O)ccc3c1CCCC3)NC(=O)CC2 ZINC000768171582 1080383970 /nfs/dbraw/zinc/38/39/70/1080383970.db2.gz CAZJINBELMEJGI-UHFFFAOYSA-N 0 0 423.469 2.419 20 10 HECDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1nnc2n1CCCCC2 ZINC000786055925 1080387073 /nfs/dbraw/zinc/38/70/73/1080387073.db2.gz VHSQVMFQSPBCOS-MRXNPFEDSA-N 0 0 410.522 2.098 20 10 HECDRN O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768225690 1080430356 /nfs/dbraw/zinc/43/03/56/1080430356.db2.gz VBAZMDBDTHZKHT-UHFFFAOYSA-N 0 0 414.643 2.206 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc4ncccc4c3)cc2)CC1 ZINC000786121657 1080436925 /nfs/dbraw/zinc/43/69/25/1080436925.db2.gz JDTIISCPCNPYAT-UHFFFAOYSA-N 0 0 424.526 2.382 20 10 HECDRN CCc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)s1 ZINC000786121337 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CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)CC1 ZINC000786257500 1080497274 /nfs/dbraw/zinc/49/72/74/1080497274.db2.gz PWJRPDXNQFRGPE-FQEVSTJZSA-N 0 0 420.513 2.024 20 10 HECDRN CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768342931 1080499014 /nfs/dbraw/zinc/49/90/14/1080499014.db2.gz UKKZCNUHYARCOP-KRWDZBQOSA-N 0 0 410.540 2.489 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3c(C)nn(C)c3C)cc2)CC1 ZINC000786260069 1080500419 /nfs/dbraw/zinc/50/04/19/1080500419.db2.gz VXWOOCGLGSREJA-INIZCTEOSA-N 0 0 411.550 2.200 20 10 HECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000786261902 1080500925 /nfs/dbraw/zinc/50/09/25/1080500925.db2.gz HAFOIVUAYGNQPI-UHFFFAOYSA-N 0 0 403.486 2.471 20 10 HECDRN Cc1ccc(C[C@H](CO)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000786224497 1080506186 /nfs/dbraw/zinc/50/61/86/1080506186.db2.gz JYHQDZLNUGXDFK-LEWJYISDSA-N 0 0 424.545 2.100 20 10 HECDRN COc1ccc(N2CCN(C(=O)Cc3ccccc3S(C)(=O)=O)CC2)cc1F 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