smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc(-c2nnc(C3CCN(C(=O)c4ccc(F)cc4)CC3)o2)cn1 ZINC000216637920 206359945 /nfs/dbraw/zinc/35/99/45/206359945.db2.gz NVPAEXJAYXGTNM-UHFFFAOYSA-N 0 0 367.384 2.994 40 70 FFIBRN COc1ccc(CNC(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1OC ZINC000217927505 206366153 /nfs/dbraw/zinc/36/61/53/206366153.db2.gz YUGXEWKJSQJRLG-WEVVVXLNSA-N 0 0 371.389 2.771 40 70 FFIBRN O=C(NCc1cccc(-c2ccccn2)c1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000160181462 508950418 /nfs/dbraw/zinc/95/04/18/508950418.db2.gz MTSCISVHRPZMMM-MOPGFXCFSA-N 0 0 364.449 2.701 40 70 FFIBRN COc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)cc1 ZINC000216685505 524260132 /nfs/dbraw/zinc/26/01/32/524260132.db2.gz MRRTXGMZJABPRN-SFHVURJKSA-N 0 0 370.434 2.702 40 70 FFIBRN C[C@@H](C(=O)NCCC1=CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218449840 206369710 /nfs/dbraw/zinc/36/97/10/206369710.db2.gz PGCGVPVZSIBXGU-AWEZNQCLSA-N 0 0 368.474 2.987 40 70 FFIBRN CSc1ccc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)cc1 ZINC000216671037 509263889 /nfs/dbraw/zinc/26/38/89/509263889.db2.gz DBYXXWMXQFZZIM-UHFFFAOYSA-N 0 0 353.469 2.598 40 70 FFIBRN COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)n2)cc1 ZINC000218705151 206373707 /nfs/dbraw/zinc/37/37/07/206373707.db2.gz ZRTBWSLITCYLMK-LBPRGKRZSA-N 0 0 371.368 2.968 40 70 FFIBRN Cc1ccccc1NC(=O)CS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 ZINC000217429827 206362880 /nfs/dbraw/zinc/36/28/80/206362880.db2.gz BVNOENMOTOALCC-UHFFFAOYSA-N 0 0 370.430 2.557 40 70 FFIBRN COc1cccc(Cn2cc([C@@H]3N(C)c4ccccc4C(=O)N3C)nn2)c1 ZINC000216758277 132271778 /nfs/dbraw/zinc/27/17/78/132271778.db2.gz VOUMNGQKRRIPNZ-LJQANCHMSA-N 0 0 363.421 2.556 40 70 FFIBRN Cc1cc(C(=O)NCCCc2ccc(F)cc2)ccc1NS(C)(=O)=O ZINC000218594729 206371388 /nfs/dbraw/zinc/37/13/88/206371388.db2.gz KIUUNAVAPDFJMU-UHFFFAOYSA-N 0 0 364.442 2.868 40 70 FFIBRN Cc1nnn([C@@]23C[C@@H]4C[C@@H](C[C@@](C(=O)NCc5ccccc5)(C4)C2)C3)n1 ZINC000217528773 206364967 /nfs/dbraw/zinc/36/49/67/206364967.db2.gz FEVLBGVFIOKUGT-KJWXAFIESA-N 0 0 351.454 2.593 40 70 FFIBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=S)Nc1ccccc1 ZINC000217934512 206365749 /nfs/dbraw/zinc/36/57/49/206365749.db2.gz SYTKJWWSAZOWAH-UHFFFAOYSA-N 0 0 361.492 2.696 40 70 FFIBRN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218085701 525596958 /nfs/dbraw/zinc/59/69/58/525596958.db2.gz IUEDJAFLEBGWOD-TWMKSMIVSA-N 0 0 360.527 2.955 40 70 FFIBRN Cc1ncncc1-c1nnc(C2CCN(C(=O)c3cccs3)CC2)o1 ZINC000216639390 509262098 /nfs/dbraw/zinc/26/20/98/509262098.db2.gz RNGLLOVNVGSCIV-UHFFFAOYSA-N 0 0 355.423 2.916 40 70 FFIBRN COc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)c1 ZINC000216684992 509264319 /nfs/dbraw/zinc/26/43/19/509264319.db2.gz QLGPLYCIRZJPIA-GOSISDBHSA-N 0 0 370.434 2.702 40 70 FFIBRN COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)c1 ZINC000218704907 206373980 /nfs/dbraw/zinc/37/39/80/206373980.db2.gz XMMDOQFWTKGDKV-GFCCVEGCSA-N 0 0 371.368 2.968 40 70 FFIBRN COC[C@H](C)NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000216892307 132272027 /nfs/dbraw/zinc/27/20/27/132272027.db2.gz ATFGGGZERQWHAZ-ZDUSSCGKSA-N 0 0 374.462 2.565 40 70 FFIBRN Cc1ncc(-c2nnc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)o2)cn1 ZINC000216658550 206359517 /nfs/dbraw/zinc/35/95/17/206359517.db2.gz XMTDMDQNDKPGRK-CQSZACIVSA-N 0 0 367.384 2.994 40 70 FFIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1COc2ccccc2O1 ZINC000218302643 523550844 /nfs/dbraw/zinc/55/08/44/523550844.db2.gz RNGWEIOGOVZYTA-CYBMUJFWSA-N 0 0 357.391 2.597 40 70 FFIBRN COc1cccc(Cn2cc([C@H]3OCCN3c3cccc(OC)c3)nn2)c1 ZINC000216765763 509263580 /nfs/dbraw/zinc/26/35/80/509263580.db2.gz ISQXSTDRZLDXOX-HXUWFJFHSA-N 0 0 366.421 2.879 40 70 FFIBRN CSc1ccccc1-c1noc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000216672124 509264350 /nfs/dbraw/zinc/26/43/50/509264350.db2.gz OCMCPRPLACSCNF-LLVKDONJSA-N 0 0 353.469 2.598 40 70 FFIBRN COc1cc(CNC(=O)[C@H]2COc3ccccc3O2)ccc1OC(C)C ZINC000218297593 522431074 /nfs/dbraw/zinc/43/10/74/522431074.db2.gz UOELXPNAOZMAFL-LJQANCHMSA-N 0 0 357.406 2.939 40 70 FFIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1COc2ccccc2O1 ZINC000218301562 523545555 /nfs/dbraw/zinc/54/55/55/523545555.db2.gz YVIHXBJVAKQEST-MRXNPFEDSA-N 0 0 351.362 2.535 40 70 FFIBRN COc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccco2)nn1 ZINC000216685439 524519679 /nfs/dbraw/zinc/51/96/79/524519679.db2.gz WPLNRKUSKZCVDI-GOSISDBHSA-N 0 0 370.434 2.702 40 70 FFIBRN Cc1cccc2c1ccn2CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218067220 568216269 /nfs/dbraw/zinc/21/62/69/568216269.db2.gz RSMKQKHLKIEMIS-DLBZAZTESA-N 0 0 361.445 2.757 40 70 FFIBRN Cc1ncc(-c2nnc(C3CCN(C(=O)c4cccs4)CC3)o2)cn1 ZINC000216638049 209654622 /nfs/dbraw/zinc/65/46/22/209654622.db2.gz FATHPZVMSHNISI-UHFFFAOYSA-N 0 0 355.423 2.916 40 70 FFIBRN COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1F ZINC000160082834 508935742 /nfs/dbraw/zinc/93/57/42/508935742.db2.gz GIRVPIGIAALOER-UHFFFAOYSA-N 0 0 359.806 2.845 40 70 FFIBRN CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1 ZINC000160084905 508936801 /nfs/dbraw/zinc/93/68/01/508936801.db2.gz CSRPSMKJKKQARZ-UHFFFAOYSA-N 0 0 368.842 2.656 40 70 FFIBRN CN1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000217030136 509266400 /nfs/dbraw/zinc/26/64/00/509266400.db2.gz JXMVCPUAGNIEJU-UHFFFAOYSA-N 0 0 370.324 2.979 40 70 FFIBRN O=C1Nc2ccccc2CC[C@H]1Sc1nnnn1[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000217866669 509272676 /nfs/dbraw/zinc/27/26/76/509272676.db2.gz OCOPKKJHPVKDAD-WXYCVUISSA-N 0 0 353.451 2.856 40 70 FFIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000218401908 525430014 /nfs/dbraw/zinc/43/00/14/525430014.db2.gz LMNNTBKFEUBXJO-CQSZACIVSA-N 0 0 362.451 2.564 40 70 FFIBRN CCCCOC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1 ZINC000216848169 132271599 /nfs/dbraw/zinc/27/15/99/132271599.db2.gz BWXVUTZLQZDBGS-UHFFFAOYSA-N 0 0 369.469 2.929 40 70 FFIBRN Cc1ncc(-c2nnc(C3CCN(C(=O)Cc4ccccc4)CC3)o2)cn1 ZINC000216637776 509262946 /nfs/dbraw/zinc/26/29/46/509262946.db2.gz VEIDXZAPKXQCTF-UHFFFAOYSA-N 0 0 363.421 2.784 40 70 FFIBRN COc1ccc(NC(=O)[C@@]23C[C@H]4C[C@@H](C2)C[C@](n2nnc(C)n2)(C4)C3)cc1 ZINC000217551541 509269799 /nfs/dbraw/zinc/26/97/99/509269799.db2.gz WUGWZTPYNKGURL-FYXYJPLOSA-N 0 0 367.453 2.924 40 70 FFIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1 ZINC000218639542 509280255 /nfs/dbraw/zinc/28/02/55/509280255.db2.gz GHOYEANJAZGZOU-UHFFFAOYSA-N 0 0 362.451 2.565 40 70 FFIBRN CCN1C(=O)CS[C@H]1c1cn(Cc2cccc(Br)c2)nn1 ZINC000216754575 509264008 /nfs/dbraw/zinc/26/40/08/509264008.db2.gz IUEJKXNURSROMQ-AWEZNQCLSA-N 0 0 367.272 2.683 40 70 FFIBRN COc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)cc1 ZINC000216777379 509264805 /nfs/dbraw/zinc/26/48/05/509264805.db2.gz JOHICHIBTGPQOM-HXUWFJFHSA-N 0 0 350.422 2.866 40 70 FFIBRN O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000218118816 509275228 /nfs/dbraw/zinc/27/52/28/509275228.db2.gz VXSXNGSOHSIOBI-BETUJISGSA-N 0 0 360.487 2.844 40 70 FFIBRN Cc1ncc(-c2nnc([C@@H]3CCCN(C(=O)c4cccs4)C3)o2)cn1 ZINC000216658758 209653793 /nfs/dbraw/zinc/65/37/93/209653793.db2.gz LZRCJIJUPWQURJ-GFCCVEGCSA-N 0 0 355.423 2.916 40 70 FFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)cc1 ZINC000216756236 509264364 /nfs/dbraw/zinc/26/43/64/509264364.db2.gz OGUHFIDANKABSR-IBGZPJMESA-N 0 0 364.405 2.648 40 70 FFIBRN COc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000218115037 509274191 /nfs/dbraw/zinc/27/41/91/509274191.db2.gz DYWLYDLKBJLIIF-GVDBMIGSSA-N 0 0 361.488 2.846 40 70 FFIBRN CN(c1ccc(C(=O)NCCCc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000218333431 523634005 /nfs/dbraw/zinc/63/40/05/523634005.db2.gz NQKYKBDJRRFVNM-UHFFFAOYSA-N 0 0 364.442 2.584 40 70 FFIBRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3COc4ccccc4O3)n2)c1 ZINC000218301641 524130902 /nfs/dbraw/zinc/13/09/02/524130902.db2.gz VGNAADQRYSZUHX-KRWDZBQOSA-N 0 0 365.389 2.843 40 70 FFIBRN Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000160462982 508990530 /nfs/dbraw/zinc/99/05/30/508990530.db2.gz CPCBSKCERJGYOT-QGZVFWFLSA-N 0 0 353.422 2.937 40 70 FFIBRN CSc1ccc(-c2noc([C@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 ZINC000216672281 509264523 /nfs/dbraw/zinc/26/45/23/509264523.db2.gz QMEBZWZKOPMEGI-LBPRGKRZSA-N 0 0 353.469 2.598 40 70 FFIBRN Cc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000218233169 509274404 /nfs/dbraw/zinc/27/44/04/509274404.db2.gz STYOMOKRAPFCSG-KRWDZBQOSA-N 0 0 374.506 2.899 40 70 FFIBRN COc1cccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)c1 ZINC000216773293 509263750 /nfs/dbraw/zinc/26/37/50/509263750.db2.gz JGYQQGJKNKGVSY-HXUWFJFHSA-N 0 0 350.422 2.866 40 70 FFIBRN O=C1CS[C@H](c2cn(Cc3ccccc3F)nn2)N1Cc1ccco1 ZINC000216684777 509264775 /nfs/dbraw/zinc/26/47/75/509264775.db2.gz ONNHNPPFYBHNLM-QGZVFWFLSA-N 0 0 358.398 2.833 40 70 FFIBRN COc1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc2c1 ZINC000217582564 509270328 /nfs/dbraw/zinc/27/03/28/509270328.db2.gz YHDHWWZFEOBTJL-DZGCQCFKSA-N 0 0 363.417 2.598 40 70 FFIBRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H]3COc4ccccc4O3)n2)cc1 ZINC000218301744 525877942 /nfs/dbraw/zinc/87/79/42/525877942.db2.gz KKPNEECPMYJMEX-KRWDZBQOSA-N 0 0 365.389 2.843 40 70 FFIBRN CCOC(=O)c1cccc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000216783311 210156616 /nfs/dbraw/zinc/15/66/16/210156616.db2.gz LWSXEJUPGMMIEG-UHFFFAOYSA-N 0 0 350.392 2.948 40 70 FFIBRN COc1cccc(Cn2cc([C@@H]3OCCN3c3cccc(OC)c3)nn2)c1 ZINC000216765717 509264823 /nfs/dbraw/zinc/26/48/23/509264823.db2.gz ISQXSTDRZLDXOX-FQEVSTJZSA-N 0 0 366.421 2.879 40 70 FFIBRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1COc2ccccc2O1 ZINC000218301289 509276398 /nfs/dbraw/zinc/27/63/98/509276398.db2.gz UTEYKFDYHLPMIS-OAHLLOKOSA-N 0 0 371.780 2.846 40 70 FFIBRN COc1cccc(C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)c1 ZINC000217940623 525824079 /nfs/dbraw/zinc/82/40/79/525824079.db2.gz NWNGOUUPBQBIRW-UHFFFAOYSA-N 0 0 369.377 2.692 40 70 FFIBRN O=C(NCc1cccc(-c2ccccn2)c1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000160181729 508950771 /nfs/dbraw/zinc/95/07/71/508950771.db2.gz MTSCISVHRPZMMM-RTBURBONSA-N 0 0 364.449 2.701 40 70 FFIBRN Cc1ncncc1-c1nnc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)o1 ZINC000216661253 509262113 /nfs/dbraw/zinc/26/21/13/509262113.db2.gz ASSBHTVMVGSDLY-AWEZNQCLSA-N 0 0 367.384 2.994 40 70 FFIBRN O=C1CS[C@H](c2cn(Cc3ccc(F)cc3)nn2)N1Cc1ccco1 ZINC000216684887 509264406 /nfs/dbraw/zinc/26/44/06/509264406.db2.gz OMGISDOEEXTAOH-QGZVFWFLSA-N 0 0 358.398 2.833 40 70 FFIBRN O=C(NCCCN1CCCc2ccccc21)[C@H]1COc2ccccc2O1 ZINC000218302865 527666848 /nfs/dbraw/zinc/66/68/48/527666848.db2.gz FYGHKKHAJZZKEM-HXUWFJFHSA-N 0 0 352.434 2.786 40 70 FFIBRN CSc1ccccc1-c1noc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000216672169 509264761 /nfs/dbraw/zinc/26/47/61/509264761.db2.gz OCMCPRPLACSCNF-NSHDSACASA-N 0 0 353.469 2.598 40 70 FFIBRN CSc1nc(Nc2cccc(C(C)=O)c2)cc(N2CCN(C)CC2)n1 ZINC000216852623 526214285 /nfs/dbraw/zinc/21/42/85/526214285.db2.gz JIRPJHGXBSFLIU-UHFFFAOYSA-N 0 0 357.483 2.897 40 70 FFIBRN CS(=O)(=O)Nc1cccc(C(=O)NCCOc2ccccc2Cl)c1 ZINC000159409471 222554098 /nfs/dbraw/zinc/55/40/98/222554098.db2.gz ATQMDTFUMRCGMW-UHFFFAOYSA-N 0 0 368.842 2.520 40 70 FFIBRN COc1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3OC)nn2)c1 ZINC000216763840 509264614 /nfs/dbraw/zinc/26/46/14/509264614.db2.gz ZAPVEMXREDCRSV-FQEVSTJZSA-N 0 0 366.421 2.879 40 70 FFIBRN COc1ccc2nc(NC(=O)[C@H]3CC[C@H](Cn4cnnn4)CC3)sc2c1 ZINC000217987048 568213748 /nfs/dbraw/zinc/21/37/48/568213748.db2.gz WHFSKJXDICDIDF-TXEJJXNPSA-N 0 0 372.454 2.737 40 70 FFIBRN Cc1ncc(-c2nnc([C@H]3CCCN(C(=O)c4cccs4)C3)o2)cn1 ZINC000216658802 509262241 /nfs/dbraw/zinc/26/22/41/509262241.db2.gz LZRCJIJUPWQURJ-LBPRGKRZSA-N 0 0 355.423 2.916 40 70 FFIBRN CCN(c1ccc(C(=O)NCCCc2ccccc2)cc1)S(C)(=O)=O ZINC000218778571 509282156 /nfs/dbraw/zinc/28/21/56/509282156.db2.gz GDHNACDLONDVBA-UHFFFAOYSA-N 0 0 360.479 2.835 40 70 FFIBRN Cc1cccc(-c2noc(CNC(=O)[C@@H]3COc4ccccc4O3)n2)c1 ZINC000218300456 524132342 /nfs/dbraw/zinc/13/23/42/524132342.db2.gz PISJIZXODCQYIQ-INIZCTEOSA-N 0 0 351.362 2.501 40 70 FFIBRN O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218102944 527148732 /nfs/dbraw/zinc/14/87/32/527148732.db2.gz UWBBAXWNGNZFPC-XLNGHYISSA-N 0 0 371.872 2.829 40 70 FFIBRN O=C(Nc1ccc(Br)cc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000217983699 568213607 /nfs/dbraw/zinc/21/36/07/568213607.db2.gz SJAJMTCZFWCFHC-TXEJJXNPSA-N 0 0 364.247 2.881 40 70 FFIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1 ZINC000218638941 222685662 /nfs/dbraw/zinc/68/56/62/222685662.db2.gz HWGZSZFCKRVVBX-UHFFFAOYSA-N 0 0 364.442 2.950 40 70 FFIBRN Cc1ncncc1-c1nnc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)o1 ZINC000216661032 509261466 /nfs/dbraw/zinc/26/14/66/509261466.db2.gz FJQPATCVKADVAD-INIZCTEOSA-N 0 0 363.421 2.784 40 70 FFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)c1 ZINC000216756129 509264398 /nfs/dbraw/zinc/26/43/98/509264398.db2.gz NPWCITMAKFMLSM-IBGZPJMESA-N 0 0 364.405 2.648 40 70 FFIBRN Cc1ccc(-c2noc(CNC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 ZINC000218300572 509276017 /nfs/dbraw/zinc/27/60/17/509276017.db2.gz BQEOUEWHXNHSJZ-INIZCTEOSA-N 0 0 351.362 2.501 40 70 FFIBRN O=C1CS[C@H](c2cn(Cc3cccc(F)c3)nn2)N1Cc1ccco1 ZINC000216686338 527016904 /nfs/dbraw/zinc/01/69/04/527016904.db2.gz LEAJYUUVGCJYPL-QGZVFWFLSA-N 0 0 358.398 2.833 40 70 FFIBRN COC[C@@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218041598 571352157 /nfs/dbraw/zinc/35/21/57/571352157.db2.gz BKLIRMFOFIJRBN-SOLBZPMBSA-N 0 0 361.488 2.545 40 70 FFIBRN CN(c1ccccc1C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O ZINC000218341065 509277129 /nfs/dbraw/zinc/27/71/29/509277129.db2.gz HBZLNTXYRMJABN-UHFFFAOYSA-N 0 0 364.442 2.584 40 70 FFIBRN CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2ccccc2F)nn1 ZINC000216757501 132271585 /nfs/dbraw/zinc/27/15/85/132271585.db2.gz AMSYZOLZEQBLCZ-SFHVURJKSA-N 0 0 351.385 2.686 40 70 FFIBRN Cc1ncncc1-c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1 ZINC000216639252 509262074 /nfs/dbraw/zinc/26/20/74/509262074.db2.gz SAVFQOUNXPONMV-UHFFFAOYSA-N 0 0 367.384 2.994 40 70 FFIBRN COc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccco2)nn1 ZINC000216685395 509264566 /nfs/dbraw/zinc/26/45/66/509264566.db2.gz 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PISJIZXODCQYIQ-MRXNPFEDSA-N 0 0 351.362 2.501 40 70 FFIBRN Cc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)o1 ZINC000216661209 509261925 /nfs/dbraw/zinc/26/19/25/509261925.db2.gz ASSBHTVMVGSDLY-CQSZACIVSA-N 0 0 367.384 2.994 40 70 FFIBRN CCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(Br)c2)nn1 ZINC000216754525 509263324 /nfs/dbraw/zinc/26/33/24/509263324.db2.gz IUEJKXNURSROMQ-CQSZACIVSA-N 0 0 367.272 2.683 40 70 FFIBRN CSc1ccc(-c2noc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 ZINC000216672232 509263408 /nfs/dbraw/zinc/26/34/08/509263408.db2.gz QMEBZWZKOPMEGI-GFCCVEGCSA-N 0 0 353.469 2.598 40 70 FFIBRN COc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)cc1 ZINC000216685551 524260541 /nfs/dbraw/zinc/26/05/41/524260541.db2.gz MRRTXGMZJABPRN-GOSISDBHSA-N 0 0 370.434 2.702 40 70 FFIBRN COC[C@@]1(C(N)=S)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218041751 571352165 /nfs/dbraw/zinc/35/21/65/571352165.db2.gz BKLIRMFOFIJRBN-XYJFISCASA-N 0 0 361.488 2.545 40 70 FFIBRN COc1cccc(Cn2cc([C@H]3N(C)c4ccccc4C(=O)N3C)nn2)c1 ZINC000216758322 132271550 /nfs/dbraw/zinc/27/15/50/132271550.db2.gz VOUMNGQKRRIPNZ-IBGZPJMESA-N 0 0 363.421 2.556 40 70 FFIBRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H]3COc4ccccc4O3)n2)cc1 ZINC000218301799 525877407 /nfs/dbraw/zinc/87/74/07/525877407.db2.gz KKPNEECPMYJMEX-QGZVFWFLSA-N 0 0 365.389 2.843 40 70 FFIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000218302584 523549776 /nfs/dbraw/zinc/54/97/76/523549776.db2.gz RNGWEIOGOVZYTA-ZDUSSCGKSA-N 0 0 357.391 2.597 40 70 FFIBRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1C ZINC000216844291 509266065 /nfs/dbraw/zinc/26/60/65/509266065.db2.gz RFRRNOWLADYESX-UHFFFAOYSA-N 0 0 367.449 2.644 40 70 FFIBRN Cc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000218233237 509274011 /nfs/dbraw/zinc/27/40/11/509274011.db2.gz STYOMOKRAPFCSG-QGZVFWFLSA-N 0 0 374.506 2.899 40 70 FFIBRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1COc2ccccc2O1 ZINC000218301242 509276522 /nfs/dbraw/zinc/27/65/22/509276522.db2.gz UTEYKFDYHLPMIS-HNNXBMFYSA-N 0 0 371.780 2.846 40 70 FFIBRN CS(=O)(=O)Nc1cccc(C(=O)NCCCc2ccc(F)cc2)c1 ZINC000218566464 525224763 /nfs/dbraw/zinc/22/47/63/525224763.db2.gz BKCCDAJLEXQMOY-UHFFFAOYSA-N 0 0 350.415 2.560 40 70 FFIBRN O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218103029 527097234 /nfs/dbraw/zinc/09/72/34/527097234.db2.gz UWBBAXWNGNZFPC-XBVQOTNRSA-N 0 0 371.872 2.829 40 70 FFIBRN CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2ccc(F)cc2)nn1 ZINC000216757613 132271647 /nfs/dbraw/zinc/27/16/47/132271647.db2.gz UAKFJBFQICIFLK-SFHVURJKSA-N 0 0 351.385 2.686 40 70 FFIBRN Cc1ncc(-c2nnc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)o2)cn1 ZINC000216658592 509261918 /nfs/dbraw/zinc/26/19/18/509261918.db2.gz XMTDMDQNDKPGRK-AWEZNQCLSA-N 0 0 367.384 2.994 40 70 FFIBRN O=C1Nc2ccccc2CC[C@@H]1Sc1nnnn1[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000217866749 509272502 /nfs/dbraw/zinc/27/25/02/509272502.db2.gz OCOPKKJHPVKDAD-XTBFLFJDSA-N 0 0 353.451 2.856 40 70 FFIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000218301510 523547194 /nfs/dbraw/zinc/54/71/94/523547194.db2.gz YVIHXBJVAKQEST-INIZCTEOSA-N 0 0 351.362 2.535 40 70 FFIBRN O=C(NCCCN1CCCc2ccccc21)[C@@H]1COc2ccccc2O1 ZINC000218302816 527666706 /nfs/dbraw/zinc/66/67/06/527666706.db2.gz FYGHKKHAJZZKEM-FQEVSTJZSA-N 0 0 352.434 2.786 40 70 FFIBRN C[C@H](C(=O)NCCC1=CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218449921 222681257 /nfs/dbraw/zinc/68/12/57/222681257.db2.gz PGCGVPVZSIBXGU-CQSZACIVSA-N 0 0 368.474 2.987 40 70 FFIBRN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)c(OC)c1OC ZINC000218697385 222686760 /nfs/dbraw/zinc/68/67/60/222686760.db2.gz GSBRIMAVACTZJQ-GFCCVEGCSA-N 0 0 363.385 2.935 40 70 FFIBRN COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)n2)c1 ZINC000218704980 509280545 /nfs/dbraw/zinc/28/05/45/509280545.db2.gz XMMDOQFWTKGDKV-LBPRGKRZSA-N 0 0 371.368 2.968 40 70 FFIBRN CC(C)Oc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 ZINC000218225234 519783258 /nfs/dbraw/zinc/78/32/58/519783258.db2.gz PLZVGPPMTIDIEZ-UHFFFAOYSA-N 0 0 362.451 2.879 40 70 FFIBRN CCOC(=O)C1CCN(C(=O)CSCc2ccc(OC)cc2)CC1 ZINC000218111613 520560498 /nfs/dbraw/zinc/56/04/98/520560498.db2.gz VGMWJDUIYWAMGQ-UHFFFAOYSA-N 0 0 351.468 2.730 40 70 FFIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000218401993 525436370 /nfs/dbraw/zinc/43/63/70/525436370.db2.gz LMNNTBKFEUBXJO-AWEZNQCLSA-N 0 0 362.451 2.564 40 70 FFIBRN