smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000107833868 507869316 /nfs/dbraw/zinc/86/93/16/507869316.db2.gz XNAGNDVNEPNGSB-WJDWOHSUSA-N 0 2 364.357 2.587 40 10 FFCBLN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409391783 513102323 /nfs/dbraw/zinc/10/23/23/513102323.db2.gz JUIKWBJFJHWYAD-GHRIWEEISA-N 0 2 372.384 2.847 40 10 FFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1C(C)C ZINC000409391660 513102409 /nfs/dbraw/zinc/10/24/09/513102409.db2.gz JEQOXEUHSSVEGF-MHWRWJLKSA-N 0 2 352.394 2.747 40 10 FFCBLN COC(=O)c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 ZINC000000820699 206134035 /nfs/dbraw/zinc/13/40/35/206134035.db2.gz KZHHGEABXSDBSC-OQLLNIDSSA-N 0 2 356.765 2.588 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(O)c1 ZINC000408885819 513095019 /nfs/dbraw/zinc/09/50/19/513095019.db2.gz BINYLEOPTRHBDT-OQLLNIDSSA-N 0 2 366.373 2.684 40 10 FFCBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 ZINC000409394027 513102435 /nfs/dbraw/zinc/10/24/35/513102435.db2.gz UOXBRYOFWWICMR-LVLBFHFTSA-N 0 2 365.389 2.925 40 10 FFCBLN COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000103762360 132237856 /nfs/dbraw/zinc/23/78/56/132237856.db2.gz TZMOSBJULLISLZ-ACCUITESSA-N 0 2 351.362 2.582 40 10 FFCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000005697895 506455069 /nfs/dbraw/zinc/45/50/69/506455069.db2.gz SWZJFSMVVOMYIU-ZROIWOOFSA-N 0 2 369.308 2.709 40 10 FFCBLN O=C1NC(=S)S/C1=C/c1cc(Br)cc([N+](=O)[O-])c1O ZINC000113830440 508282521 /nfs/dbraw/zinc/28/25/21/508282521.db2.gz DKUBVHJTKGJURU-FARCUNLSSA-N 0 2 361.198 2.552 40 10 FFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000408948283 513095732 /nfs/dbraw/zinc/09/57/32/513095732.db2.gz FHAXGMJKHCWVRK-NTUHNPAUSA-N 0 2 370.748 2.735 40 10 FFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408807811 513093816 /nfs/dbraw/zinc/09/38/16/513093816.db2.gz HUULXLUADAHBEZ-SFQUDFHCSA-N 0 2 366.373 2.760 40 10 FFCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408818533 513093837 /nfs/dbraw/zinc/09/38/37/513093837.db2.gz YIWHDTLPNRZYNR-GZTJUZNOSA-N 0 2 366.373 2.846 40 10 FFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3)C2=O)cc1 ZINC000408878230 513094938 /nfs/dbraw/zinc/09/49/38/513094938.db2.gz YNPYZKGWGUDKPX-FOWTUZBSSA-N 0 2 364.357 2.530 40 10 FFCBLN Cn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409105457 513098769 /nfs/dbraw/zinc/09/87/69/513098769.db2.gz JUOMOBMPMVWSDG-DHZHZOJOSA-N 0 2 364.188 2.998 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000059426711 507500394 /nfs/dbraw/zinc/50/03/94/507500394.db2.gz OPFJGYVQUSYGAW-XNTDXEJSSA-N 0 2 351.318 2.570 40 10 FFCBLN CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408858925 513094631 /nfs/dbraw/zinc/09/46/31/513094631.db2.gz UKOXROFCZJKIDG-HPIZBCMHSA-N 0 2 366.329 2.621 40 10 FFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000409022754 513097840 /nfs/dbraw/zinc/09/78/40/513097840.db2.gz SECKYTOGKGTRAZ-QGOAFFKASA-N 0 2 373.368 2.849 40 10 FFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2CC)C1=O ZINC000409246726 513100658 /nfs/dbraw/zinc/10/06/58/513100658.db2.gz ASHXMSPAUUUKCL-WYMLVPIESA-N 0 2 353.378 2.573 40 10 FFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C ZINC000408781811 513093808 /nfs/dbraw/zinc/09/38/08/513093808.db2.gz FCBOVXHABAPKID-OVCLIPMQSA-N 0 2 357.797 2.962 40 10 FFCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408815424 513093883 /nfs/dbraw/zinc/09/38/83/513093883.db2.gz QEPXQWSDCKNRDW-NTEUORMPSA-N 0 2 372.764 2.721 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(O)c1 ZINC000408878380 513094497 /nfs/dbraw/zinc/09/44/97/513094497.db2.gz AZSBNERDYORIDA-XYOKQWHBSA-N 0 2 372.764 2.721 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(O)c1 ZINC000408886418 513094775 /nfs/dbraw/zinc/09/47/75/513094775.db2.gz GZBZIZMCUYPNLC-CXUHLZMHSA-N 0 2 366.373 2.684 40 10 FFCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O ZINC000408903396 513095684 /nfs/dbraw/zinc/09/56/84/513095684.db2.gz SSGJLTXRCICKRV-GXDHUFHOSA-N 0 2 370.336 2.596 40 10 FFCBLN O=c1[nH]cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1O ZINC000018267801 539649054 /nfs/dbraw/zinc/64/90/54/539649054.db2.gz FDLLLPKSSLZELX-FMQUCBEESA-N 0 2 371.378 2.692 40 10 FFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000408741120 513092338 /nfs/dbraw/zinc/09/23/38/513092338.db2.gz NZPVMCRWXKXEJP-UKTHLTGXSA-N 0 2 371.736 2.915 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000408782874 513093146 /nfs/dbraw/zinc/09/31/46/513093146.db2.gz KFERYWMDMKXKKX-MHWRWJLKSA-N 0 2 365.345 2.878 40 10 FFCBLN CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408870328 513094805 /nfs/dbraw/zinc/09/48/05/513094805.db2.gz WFLAISADJDQQQR-QBFSEMIESA-N 0 2 354.337 2.891 40 10 FFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408990296 513096861 /nfs/dbraw/zinc/09/68/61/513096861.db2.gz WUAFLOJSSUFWSS-WJDWOHSUSA-N 0 2 365.345 2.824 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3)C2=O)c(C)c1 ZINC000018057344 507135063 /nfs/dbraw/zinc/13/50/63/507135063.db2.gz JNVRVXLIXMRSFF-XNTDXEJSSA-N 0 2 351.362 2.588 40 10 FFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] ZINC000059426678 136132265 /nfs/dbraw/zinc/13/22/65/136132265.db2.gz JKSAXROJDSPFOT-UKTHLTGXSA-N 0 2 371.736 2.915 40 10 FFCBLN CCn1c(C)cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C ZINC000015013506 507012139 /nfs/dbraw/zinc/01/21/39/507012139.db2.gz NMBQDSBOJOMUQE-SXGWCWSVSA-N 0 2 355.369 2.930 40 10 FFCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(O)cc1 ZINC000016400294 507086401 /nfs/dbraw/zinc/08/64/01/507086401.db2.gz DLYFSGGFGCYNOI-ZROIWOOFSA-N 0 2 353.290 2.807 40 10 FFCBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408535113 513085036 /nfs/dbraw/zinc/08/50/36/513085036.db2.gz XPLASLKGQYBAER-LFIBNONCSA-N 0 2 365.389 2.891 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000408799761 513093446 /nfs/dbraw/zinc/09/34/46/513093446.db2.gz KTEFAVYUOFOZEI-LFIBNONCSA-N 0 2 350.374 2.978 40 10 FFCBLN CCCCC[C@@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000005513436 506446193 /nfs/dbraw/zinc/44/61/93/506446193.db2.gz WGPOPPKSQRZUTP-GFCCVEGCSA-N 0 2 372.373 2.898 40 10 biogenic,in-vitro FFCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1 ZINC000204987011 509235338 /nfs/dbraw/zinc/23/53/38/509235338.db2.gz VCMISZQMOSGXSQ-RVDMUPIBSA-N 0 2 371.368 2.931 40 10 FFCBLN CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408535732 513084969 /nfs/dbraw/zinc/08/49/69/513084969.db2.gz OPDKFEMFCKPHFM-WJDWOHSUSA-N 0 2 364.357 2.587 40 10 FFCBLN C[C@@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)ccc2O1 ZINC000408710808 513092071 /nfs/dbraw/zinc/09/20/71/513092071.db2.gz MHLWGMIBZNGIKH-HPUUJOOBSA-N 0 2 366.348 2.816 40 10 FFCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1O ZINC000408883687 513094846 /nfs/dbraw/zinc/09/48/46/513094846.db2.gz WAFHWFNCGWRWLJ-FLIBITNWSA-N 0 2 360.728 2.851 40 10 FFCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408935075 513095971 /nfs/dbraw/zinc/09/59/71/513095971.db2.gz GJDPARIHUVGCNO-ATVHPVEESA-N 0 2 366.373 2.847 40 10 FFCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C)c3C)C2=O)c1 ZINC000005654379 506453029 /nfs/dbraw/zinc/45/30/29/506453029.db2.gz YKUNVYHEPNWSJO-YVLHZVERSA-N 0 2 367.405 2.707 40 10 FFCBLN CC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000015013031 507011878 /nfs/dbraw/zinc/01/18/78/507011878.db2.gz JZSOOUGFMUBDME-BOPFTXTBSA-N 0 2 364.357 2.587 40 10 FFCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000006925969 132837993 /nfs/dbraw/zinc/83/79/93/132837993.db2.gz GNQYJQHFXMPDHB-XFFZJAGNSA-N 0 2 361.697 2.508 40 10 FFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OC ZINC000408806292 513093508 /nfs/dbraw/zinc/09/35/08/513093508.db2.gz AYYWPRICFIQDTI-RVDMUPIBSA-N 0 2 366.373 2.760 40 10 FFCBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000100363613 536656143 /nfs/dbraw/zinc/65/61/43/536656143.db2.gz YTOJHJNIIQVFNF-JLHYYAGUSA-N 0 2 371.780 2.927 40 10 FFCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408883984 513094933 /nfs/dbraw/zinc/09/49/33/513094933.db2.gz SAVNJBOVHAHPPJ-LFIBNONCSA-N 0 2 350.374 2.978 40 10 FFCBLN CC(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033580448 506360123 /nfs/dbraw/zinc/36/01/23/506360123.db2.gz PRKJEGSEHAVVAS-GDNBJRDFSA-N 0 2 367.361 2.843 40 10 FFCBLN CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000005513285 506446180 /nfs/dbraw/zinc/44/61/80/506446180.db2.gz WGPOPPKSQRZUTP-LBPRGKRZSA-N 0 2 372.373 2.898 40 10 biogenic,in-vitro FFCBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408786073 513093306 /nfs/dbraw/zinc/09/33/06/513093306.db2.gz LBGUDPUUHROEQZ-LFIBNONCSA-N 0 2 350.374 2.978 40 10 FFCBLN CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 ZINC000409394476 513102377 /nfs/dbraw/zinc/10/23/77/513102377.db2.gz AWJWVKSVIWQPPM-LGMDPLHJSA-N 0 2 364.405 2.594 40 10 FFCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(N(C)C)o2)C1=O ZINC000409231113 263544468 /nfs/dbraw/zinc/54/44/68/263544468.db2.gz HLOYMUZGGMHZAB-FMIVXFBMSA-N 0 2 373.796 2.974 40 10 FFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc(OC)c2)C1=O ZINC000408869005 513094289 /nfs/dbraw/zinc/09/42/89/513094289.db2.gz OSBLJTMNBNAZCJ-VBKFSLOCSA-N 0 2 350.374 2.924 40 10 FFCBLN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccnc1 ZINC000101834005 209230313 /nfs/dbraw/zinc/23/03/13/209230313.db2.gz IAJATPKWPZOJBL-LDADJPATSA-N 0 2 368.368 2.873 40 10 FFCBLN COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000101834005 209230314 /nfs/dbraw/zinc/23/03/14/209230314.db2.gz IAJATPKWPZOJBL-LDADJPATSA-N 0 2 368.368 2.873 40 10 FFCBLN N#CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033643299 506361105 /nfs/dbraw/zinc/36/11/05/506361105.db2.gz QBFZAKSNRFMPBO-PTNGSMBKSA-N 0 2 353.765 2.704 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1C ZINC000059336687 507498081 /nfs/dbraw/zinc/49/80/81/507498081.db2.gz ITDBXKBQXUYENO-MHWRWJLKSA-N 0 2 365.345 2.878 40 10 FFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Cl)cn2)C1=O ZINC000408529147 513084285 /nfs/dbraw/zinc/08/42/85/513084285.db2.gz HBCVJAXAIMXMCD-JLHYYAGUSA-N 0 2 370.796 2.876 40 10 FFCBLN Cc1ccc(NNC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408535925 513085541 /nfs/dbraw/zinc/08/55/41/513085541.db2.gz URGVZEZPXOUPRF-JLHYYAGUSA-N 0 2 370.796 2.732 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1O ZINC000408854827 513094819 /nfs/dbraw/zinc/09/48/19/513094819.db2.gz JSUOLHIYNMKRHE-OQLLNIDSSA-N 0 2 366.373 2.684 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000059426724 507500041 /nfs/dbraw/zinc/50/00/41/507500041.db2.gz VBVOZDKWLQVPLR-XNTDXEJSSA-N 0 2 351.318 2.570 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000408886756 513094736 /nfs/dbraw/zinc/09/47/36/513094736.db2.gz LVNYHDXLKTZOQU-RIYZIHGNSA-N 0 2 372.764 2.721 40 10 FFCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000409210104 513100133 /nfs/dbraw/zinc/10/01/33/513100133.db2.gz IEGIKLWRUPRZQO-RIYZIHGNSA-N 0 2 371.736 2.915 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3O)C2=O)c(C)c1 ZINC000408530481 513084642 /nfs/dbraw/zinc/08/46/42/513084642.db2.gz LZNJEIPOPXXOIX-JLHYYAGUSA-N 0 2 351.362 2.588 40 10 FFCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C ZINC000408779820 513093567 /nfs/dbraw/zinc/09/35/67/513093567.db2.gz LJCRTEFWXFVQNE-LICLKQGHSA-N 0 2 351.406 2.925 40 10 FFCBLN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccnc1 ZINC000103523915 222337537 /nfs/dbraw/zinc/33/75/37/222337537.db2.gz LRBYYQDPTPCPMU-QGOAFFKASA-N 0 2 350.378 2.733 40 10 FFCBLN COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000103523915 222337541 /nfs/dbraw/zinc/33/75/41/222337541.db2.gz LRBYYQDPTPCPMU-QGOAFFKASA-N 0 2 350.378 2.733 40 10 FFCBLN COC(=O)c1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000003026683 506307206 /nfs/dbraw/zinc/30/72/06/506307206.db2.gz WZHHIFNTYWHAOZ-XNTDXEJSSA-N 0 2 356.765 2.588 40 10 FFCBLN Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2F)C1=O ZINC000005552652 506448026 /nfs/dbraw/zinc/44/80/26/506448026.db2.gz MVMCYHSVTZJPLT-UKTHLTGXSA-N 0 2 361.423 2.710 40 10 FFCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1 ZINC000408895300 513094763 /nfs/dbraw/zinc/09/47/63/513094763.db2.gz DUUNQBOPBCRYKK-ATVHPVEESA-N 0 2 366.373 2.847 40 10 FFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000408988032 513096584 /nfs/dbraw/zinc/09/65/84/513096584.db2.gz QEDROIHVEMIKNV-PTNGSMBKSA-N 0 2 365.345 2.824 40 10 FFCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNCCc3ccccc3)C2=O)c1 ZINC000408531744 513084725 /nfs/dbraw/zinc/08/47/25/513084725.db2.gz LKXCKRVAPUMFLT-GHRIWEEISA-N 0 2 363.417 2.602 40 10 FFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)cc2O)C1=O ZINC000408885630 513094871 /nfs/dbraw/zinc/09/48/71/513094871.db2.gz DDFMJYUXUFHHEJ-GDNBJRDFSA-N 0 2 366.373 2.630 40 10 FFCBLN O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409077690 513098722 /nfs/dbraw/zinc/09/87/22/513098722.db2.gz FIYDEIYDQJVLRK-QVASGMJFSA-N 0 2 366.420 2.681 40 10 FFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1O ZINC000004797352 132255064 /nfs/dbraw/zinc/25/50/64/132255064.db2.gz FJLJPWRXUMKQGI-XFXZXTDPSA-N 0 2 357.753 2.624 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3coc4ccccc4c3=O)C2=O)cc1 ZINC000041077941 132301259 /nfs/dbraw/zinc/30/12/59/132301259.db2.gz XNVIJVSFTRNELP-MHWRWJLKSA-N 0 2 374.352 2.768 40 10 FFCBLN O=c1[nH]cc(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1O ZINC000100486048 222245903 /nfs/dbraw/zinc/24/59/03/222245903.db2.gz FDLLLPKSSLZELX-VXPUYCOJSA-N 0 2 371.378 2.692 40 10 FFCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409394198 513102498 /nfs/dbraw/zinc/10/24/98/513102498.db2.gz XBFPGPCPCATDLS-RVDMUPIBSA-N 0 2 351.362 2.535 40 10 FFCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc(O)cc1 ZINC000408536360 513085002 /nfs/dbraw/zinc/08/50/02/513085002.db2.gz WGNNIAYAMFGMRZ-FMIVXFBMSA-N 0 2 357.753 2.624 40 10 FFCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1cccnc1 ZINC000408530582 513084479 /nfs/dbraw/zinc/08/44/79/513084479.db2.gz JGVUIYRAAXSROB-FOWTUZBSSA-N 0 2 358.357 2.814 40 10 FFCBLN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409394176 513102233 /nfs/dbraw/zinc/10/22/33/513102233.db2.gz WUCDNJWEHVLPTP-HKJJFUAXSA-N 0 2 365.389 2.925 40 10 FFCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 ZINC000409394028 513102354 /nfs/dbraw/zinc/10/23/54/513102354.db2.gz UOXBRYOFWWICMR-VLURKWGBSA-N 0 2 365.389 2.925 40 10 FFCBLN N#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000034887787 506372475 /nfs/dbraw/zinc/37/24/75/506372475.db2.gz BUMLHVVUXZCWGL-UVTDQMKNSA-N 0 2 353.765 2.704 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc12 ZINC000409391680 513102552 /nfs/dbraw/zinc/10/25/52/513102552.db2.gz JJQABNMMKKNMLK-SFQUDFHCSA-N 0 2 373.368 2.910 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1C ZINC000408914241 513096034 /nfs/dbraw/zinc/09/60/34/513096034.db2.gz OURXAOBRTRWUEZ-OQLLNIDSSA-N 0 2 354.337 2.809 40 10 FFCBLN O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409077686 513098188 /nfs/dbraw/zinc/09/81/88/513098188.db2.gz FIYDEIYDQJVLRK-BNDQCTAISA-N 0 2 366.420 2.681 40 10 FFCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)o1 ZINC000208493294 571310066 /nfs/dbraw/zinc/31/00/66/571310066.db2.gz WUOIBRIJROKAFA-NTCAYCPXSA-N 0 2 353.378 2.792 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1O ZINC000408773341 513093422 /nfs/dbraw/zinc/09/34/22/513093422.db2.gz UWHOGABZGNWERK-OQLLNIDSSA-N 0 2 366.373 2.684 40 10 FFCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408871934 513094580 /nfs/dbraw/zinc/09/45/80/513094580.db2.gz ZUHSAVNINLGHEY-OVCLIPMQSA-N 0 2 372.764 2.721 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000408850640 513095059 /nfs/dbraw/zinc/09/50/59/513095059.db2.gz PZRQHZCVCJVREZ-MHWRWJLKSA-N 0 2 354.337 2.809 40 10 FFCBLN COC(=O)c1ccc(N=Nc2ncc(CCNC(=O)C(F)(F)F)[nH]2)cc1 ZINC000104182360 222352218 /nfs/dbraw/zinc/35/22/18/222352218.db2.gz UXCWAAQFHXZECD-FCQUAONHSA-N 0 2 369.303 2.833 40 10 FFCBLN Cc1ccc(NNC=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408534707 513084991 /nfs/dbraw/zinc/08/49/91/513084991.db2.gz WMERXUSUUOTXHZ-GZTJUZNOSA-N 0 2 364.405 2.695 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 ZINC000408799718 513093195 /nfs/dbraw/zinc/09/31/95/513093195.db2.gz HUUMISKMRIAKKK-LFIBNONCSA-N 0 2 350.374 2.978 40 10 FFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C)c3C)C2=O)cc1 ZINC000408776943 513093939 /nfs/dbraw/zinc/09/39/39/513093939.db2.gz SIIHHTFLOSHXHS-GZTJUZNOSA-N 0 2 351.406 2.871 40 10 FFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)cc2)C1=O ZINC000408864892 513094728 /nfs/dbraw/zinc/09/47/28/513094728.db2.gz AEYFGQKVZAHXPC-VBKFSLOCSA-N 0 2 350.374 2.924 40 10 FFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1O ZINC000408915825 513095776 /nfs/dbraw/zinc/09/57/76/513095776.db2.gz ZRCBXDCDQKUGEJ-RIYZIHGNSA-N 0 2 370.336 2.596 40 10 FFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3)C2=O)cc1 ZINC000408988398 513096814 /nfs/dbraw/zinc/09/68/14/513096814.db2.gz QRKGUFCJERFMIF-ATVHPVEESA-N 0 2 350.374 2.924 40 10 FFCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 ZINC000409394089 513102308 /nfs/dbraw/zinc/10/23/08/513102308.db2.gz VMISYSUORWPWSN-LFIBNONCSA-N 0 2 351.362 2.535 40 10 FFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000059426690 136132192 /nfs/dbraw/zinc/13/21/92/136132192.db2.gz PZNIKAQUQHUKOA-NTEUORMPSA-N 0 2 371.736 2.915 40 10 FFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000005718582 506455139 /nfs/dbraw/zinc/45/51/39/506455139.db2.gz QLGDGKNMTSOJLA-LFIBNONCSA-N 0 2 354.337 2.891 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)cc1C ZINC000408844684 513094533 /nfs/dbraw/zinc/09/45/33/513094533.db2.gz KWJNNBXLNRCCLJ-XNTDXEJSSA-N 0 2 365.345 2.878 40 10 FFCBLN Nc1ccc(/N=N/c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(N)[nH+]1 ZINC000017426447 220215446 /nfs/dbraw/zinc/21/54/46/220215446.db2.gz WRAAWVPQNAYMSS-QURGRASLSA-N 0 2 369.410 2.857 40 10 FFCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cccc(Cl)c1 ZINC000408870662 513094662 /nfs/dbraw/zinc/09/46/62/513094662.db2.gz WHRGMBMFKNSCFS-RIYZIHGNSA-N 0 2 371.736 2.915 40 10 FFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC)C1=O ZINC000409239763 513100681 /nfs/dbraw/zinc/10/06/81/513100681.db2.gz QGDFOBZDVXCIKV-WYMLVPIESA-N 0 2 366.373 2.760 40 10 FFCBLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000107651232 507861656 /nfs/dbraw/zinc/86/16/56/507861656.db2.gz PUTKEVWWJDDLPY-RMKNXTFCSA-N 0 2 366.377 2.858 40 10 FFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000409391568 513102481 /nfs/dbraw/zinc/10/24/81/513102481.db2.gz IRJASSPLCAKABY-GHRIWEEISA-N 0 2 358.357 2.539 40 10 FFCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408805346 513093220 /nfs/dbraw/zinc/09/32/20/513093220.db2.gz AICFWKMITUGCJP-LFIBNONCSA-N 0 2 366.373 2.760 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl ZINC000408811416 513093553 /nfs/dbraw/zinc/09/35/53/513093553.db2.gz VLWDABBNJVXWKF-MDWZMJQESA-N 0 2 372.764 2.721 40 10 FFCBLN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409394177 513102366 /nfs/dbraw/zinc/10/23/66/513102366.db2.gz WUCDNJWEHVLPTP-MLDYKZIASA-N 0 2 365.389 2.925 40 10 FFCBLN CCO/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2CC)C1=O ZINC000006489859 506484733 /nfs/dbraw/zinc/48/47/33/506484733.db2.gz KUIFIWRPESCLKL-FLIBITNWSA-N 0 2 367.199 2.515 40 10 FFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O)C2=O)cc1 ZINC000408984705 513096923 /nfs/dbraw/zinc/09/69/23/513096923.db2.gz JNQQRDYPROBTPY-RVDMUPIBSA-N 0 2 366.373 2.630 40 10 FFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000059426631 507500762 /nfs/dbraw/zinc/50/07/62/507500762.db2.gz JQFVSZOAWACRPL-MHWRWJLKSA-N 0 2 365.345 2.878 40 10 FFCBLN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1 ZINC000409391720 513102272 /nfs/dbraw/zinc/10/22/72/513102272.db2.gz JPPIULVWRALCBC-QGOAFFKASA-N 0 2 372.384 2.847 40 10 FFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3)C2=O)cc1 ZINC000001225848 132381306 /nfs/dbraw/zinc/38/13/06/132381306.db2.gz GPANKMZHUNHTJZ-SFQUDFHCSA-N 0 2 366.373 2.760 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(O)c1 ZINC000408894715 513094335 /nfs/dbraw/zinc/09/43/35/513094335.db2.gz KVXTZNXOJBDJQI-VGOFMYFVSA-N 0 2 372.764 2.721 40 10 FFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1O ZINC000408893843 513095052 /nfs/dbraw/zinc/09/50/52/513095052.db2.gz GGVPBUDUUUPLFQ-NTEUORMPSA-N 0 2 366.373 2.684 40 10 FFCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C ZINC000408963223 263510525 /nfs/dbraw/zinc/51/05/25/263510525.db2.gz AYXPDMGXXYVUBX-MHWRWJLKSA-N 0 2 355.369 2.930 40 10 FFCBLN CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)o1 ZINC000005867481 506459327 /nfs/dbraw/zinc/45/93/27/506459327.db2.gz WUOIBRIJROKAFA-QINSGFPZSA-N 0 2 353.378 2.792 40 10 FFCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OC ZINC000408857798 513094879 /nfs/dbraw/zinc/09/48/79/513094879.db2.gz WPDGCQLZTMOJNA-GXDHUFHOSA-N 0 2 370.336 2.509 40 10 FFCBLN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409394247 513102394 /nfs/dbraw/zinc/10/23/94/513102394.db2.gz XQYZRAJISNTFKZ-ATVHPVEESA-N 0 2 373.368 2.910 40 10 FFCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C)c3C)C2=O)c1 ZINC000208467584 571310136 /nfs/dbraw/zinc/31/01/36/571310136.db2.gz YKUNVYHEPNWSJO-LICLKQGHSA-N 0 2 367.405 2.707 40 10 FFCBLN C[NH+](C)Cc1cc(Br)c(C(=O)[O-])c(Br)c1O ZINC000003843466 204111949 /nfs/dbraw/zinc/11/19/49/204111949.db2.gz ABTKMLWIGBOAKK-UHFFFAOYSA-N 0 2 353.010 2.677 40 10 FFCBLN CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 ZINC000408877535 263503329 /nfs/dbraw/zinc/50/33/29/263503329.db2.gz SCMKOQMOLALSKZ-KAMYIIQDSA-N 0 2 354.337 2.891 40 10 FFCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1 ZINC000408878668 513094858 /nfs/dbraw/zinc/09/48/58/513094858.db2.gz AFUUJVILVZCJAP-SFQUDFHCSA-N 0 2 366.373 2.760 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(O)c1 ZINC000408885734 513094974 /nfs/dbraw/zinc/09/49/74/513094974.db2.gz FRPSBCFZONMVHH-OQLLNIDSSA-N 0 2 366.373 2.684 40 10 FFCBLN O=C(NC1=NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1)c1ccccc1 ZINC000409148326 513099330 /nfs/dbraw/zinc/09/93/30/513099330.db2.gz YISPYIHAYNEHSO-ZROIWOOFSA-N 0 2 369.358 2.701 40 10 FFCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408806301 263497677 /nfs/dbraw/zinc/49/76/77/263497677.db2.gz IQIHZXNGQXOQQU-SFQUDFHCSA-N 0 2 366.373 2.847 40 10 FFCBLN COC(=O)c1ccc(N=Nc2ncc(CCNC(=O)C(F)(F)F)[nH]2)cc1 ZINC000017043794 507112664 /nfs/dbraw/zinc/11/26/64/507112664.db2.gz UXCWAAQFHXZECD-GHVJWSGMSA-N 0 2 369.303 2.833 40 10 FFCBLN COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000107771183 507867064 /nfs/dbraw/zinc/86/70/64/507867064.db2.gz ULGUBQFRSLHVDE-JYRVWZFOSA-N 0 2 373.752 2.718 40 10 FFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408804089 263496660 /nfs/dbraw/zinc/49/66/60/263496660.db2.gz VOMVQITWIZRDQD-RVDMUPIBSA-N 0 2 366.373 2.760 40 10 FFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(C)c2C)C1=O ZINC000005791387 506457738 /nfs/dbraw/zinc/45/77/38/506457738.db2.gz LXHDJICPKGVGRD-WJDWOHSUSA-N 0 2 351.406 2.871 40 10 FFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C)C2=O)cc1 ZINC000016662458 507101641 /nfs/dbraw/zinc/10/16/41/507101641.db2.gz FYKILZBPKZOSSY-RVDMUPIBSA-N 0 2 351.362 2.582 40 10 FFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C)c3C)C2=O)cc1 ZINC000408535527 513085578 /nfs/dbraw/zinc/08/55/78/513085578.db2.gz TUSYQZUTJQEJNU-WJDWOHSUSA-N 0 2 365.389 2.891 40 10 FFCBLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000006235869 506473080 /nfs/dbraw/zinc/47/30/80/506473080.db2.gz BZJSQDPCWYHXHH-FPYGCLRLSA-N 0 2 370.340 2.688 40 10 FFCBLN CC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000408536292 513085111 /nfs/dbraw/zinc/08/51/11/513085111.db2.gz VUYRNHHZNRAOCZ-LFIBNONCSA-N 0 2 363.373 2.776 40 10 FFCBLN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 ZINC000409392406 263555580 /nfs/dbraw/zinc/55/55/80/263555580.db2.gz METNQDVBNVGIFG-QGOAFFKASA-N 0 2 372.384 2.847 40 10 FFCBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408807755 513093468 /nfs/dbraw/zinc/09/34/68/513093468.db2.gz HNOKGXLNSCDYMO-RVDMUPIBSA-N 0 2 350.374 2.978 40 10 FFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000408847328 513094824 /nfs/dbraw/zinc/09/48/24/513094824.db2.gz UBJGGOFLHIAMNK-NTCAYCPXSA-N 0 2 351.362 2.546 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)o3)C2=O)cc1Cl ZINC000408985495 513096602 /nfs/dbraw/zinc/09/66/02/513096602.db2.gz KUVBUONPYZHIQE-LCYFTJDESA-N 0 2 373.796 2.974 40 10 FFCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000409214593 513100096 /nfs/dbraw/zinc/10/00/96/513100096.db2.gz WHHKHDISHLEZCD-RIYZIHGNSA-N 0 2 371.736 2.915 40 10 FFCBLN Nc1ccc(/N=N\c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(N)[nH+]1 ZINC000104090481 209258360 /nfs/dbraw/zinc/25/83/60/209258360.db2.gz WRAAWVPQNAYMSS-DQRAZIAOSA-N 0 2 369.410 2.857 40 10 FFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000059426636 507500236 /nfs/dbraw/zinc/50/02/36/507500236.db2.gz AXFJVQQNDYSAPL-XNTDXEJSSA-N 0 2 365.345 2.878 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(OC)c1 ZINC000408908337 513095887 /nfs/dbraw/zinc/09/58/87/513095887.db2.gz BTTVDUJRTMQNCJ-OVCLIPMQSA-N 0 2 370.336 2.509 40 10 FFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)o3)C2=O)cc1 ZINC000408981787 513096731 /nfs/dbraw/zinc/09/67/31/513096731.db2.gz BUFUEEHFBUBZTN-PTNGSMBKSA-N 0 2 353.378 2.574 40 10 FFCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2c(C)cccc2C)C1=O ZINC000408530165 513084045 /nfs/dbraw/zinc/08/40/45/513084045.db2.gz LLKSMNWANHPJMY-SDNWHVSQSA-N 0 2 365.389 2.891 40 10 FFCBLN COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000100296131 132232344 /nfs/dbraw/zinc/23/23/44/132232344.db2.gz LLEHGSGGLAFTIH-ZHACJKMWSA-N 0 2 371.780 2.927 40 10 FFCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)cc1 ZINC000408900811 513095900 /nfs/dbraw/zinc/09/59/00/513095900.db2.gz VHOJCVOQJIICTD-VBKFSLOCSA-N 0 2 366.373 2.847 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000005745864 263343086 /nfs/dbraw/zinc/34/30/86/263343086.db2.gz CVODMEKADXKENX-GXDHUFHOSA-N 0 2 351.318 2.570 40 10 FFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNNc2ccc(Cl)cc2)C1=O ZINC000408536699 513085459 /nfs/dbraw/zinc/08/54/59/513085459.db2.gz XKJBLMCTAPMUFW-GXDHUFHOSA-N 0 2 370.796 2.732 40 10 FFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)cc1 ZINC000408982369 513096421 /nfs/dbraw/zinc/09/64/21/513096421.db2.gz DKASCJKWAPOTBH-VBKFSLOCSA-N 0 2 350.374 2.924 40 10 FFCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1C ZINC000408776145 513093912 /nfs/dbraw/zinc/09/39/12/513093912.db2.gz MNLLJNUEQRPGIZ-MHWRWJLKSA-N 0 2 351.406 2.925 40 10 FFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(C)c2C)C1=O ZINC000409241540 513101340 /nfs/dbraw/zinc/10/13/40/513101340.db2.gz OGKCOZRNTXZCPU-RVDMUPIBSA-N 0 2 367.405 2.707 40 10 FFCBLN CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408532963 513085572 /nfs/dbraw/zinc/08/55/72/513085572.db2.gz IXKFEIYNYSXJNZ-PTNGSMBKSA-N 0 2 364.357 2.587 40 10 FFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C)c3)C2=O)cc1 ZINC000408536996 513086409 /nfs/dbraw/zinc/08/64/09/513086409.db2.gz YSRIXOFYRFAOHU-SFQUDFHCSA-N 0 2 365.389 2.973 40 10 FFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1C(C)(C)C ZINC000409392636 513102212 /nfs/dbraw/zinc/10/22/12/513102212.db2.gz NACNYDKOUUAFQI-LFIBNONCSA-N 0 2 366.421 2.921 40 10 FFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(Cl)c1 ZINC000408948174 513095475 /nfs/dbraw/zinc/09/54/75/513095475.db2.gz DYTLJFNBDJHLMK-NTUHNPAUSA-N 0 2 370.748 2.735 40 10 FFCBLN CCc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408956834 513095754 /nfs/dbraw/zinc/09/57/54/513095754.db2.gz YQWXPNXROJYKDE-OQLLNIDSSA-N 0 2 364.357 2.644 40 10 FFCBLN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408936482 513096002 /nfs/dbraw/zinc/09/60/02/513096002.db2.gz KKQAQLMUNGZYQS-NTEUORMPSA-N 0 2 351.318 2.742 40 10 FFCBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408813808 513093862 /nfs/dbraw/zinc/09/38/62/513093862.db2.gz VEHXBXHEKRPLIH-RVDMUPIBSA-N 0 2 350.374 2.978 40 10 FFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC)C1=O ZINC000408873599 513095027 /nfs/dbraw/zinc/09/50/27/513095027.db2.gz STHHGQNZXLUIKK-QINSGFPZSA-N 0 2 350.374 2.924 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408799711 263496164 /nfs/dbraw/zinc/49/61/64/263496164.db2.gz HTPDWPCXMYLAFR-LFIBNONCSA-N 0 2 350.374 2.978 40 10 FFCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccccc3O)C2=O)c(C)c1 ZINC000408533405 513085331 /nfs/dbraw/zinc/08/53/31/513085331.db2.gz SBGRJOAQVICPNF-GXDHUFHOSA-N 0 2 365.389 2.896 40 10 FFCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408811753 513093209 /nfs/dbraw/zinc/09/32/09/513093209.db2.gz RPMRSQUPGYGHNE-LFIBNONCSA-N 0 2 366.373 2.846 40 10 FFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000408886765 513094829 /nfs/dbraw/zinc/09/48/29/513094829.db2.gz MABDTIAVKUBCCT-NTEUORMPSA-N 0 2 372.764 2.721 40 10 FFCBLN CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 ZINC000409393856 513102285 /nfs/dbraw/zinc/10/22/85/513102285.db2.gz SRQJGMKERJZQFB-LFIBNONCSA-N 0 2 360.373 2.723 40 10 FFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3Cl)C2=O)cc1 ZINC000009324282 506691293 /nfs/dbraw/zinc/69/12/93/506691293.db2.gz DIJLPGHEYYYGKX-RAXLEYEMSA-N 0 2 371.780 2.927 40 10 FFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C)c3C)C2=O)cc1 ZINC000408771320 513093318 /nfs/dbraw/zinc/09/33/18/513093318.db2.gz FVVFJSIECQLTJP-GZTJUZNOSA-N 0 2 367.405 2.707 40 10 FFCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408872345 513094519 /nfs/dbraw/zinc/09/45/19/513094519.db2.gz DJVSZNGTQPZURZ-LFIBNONCSA-N 0 2 350.374 2.978 40 10 FFCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc21 ZINC000408887699 513094797 /nfs/dbraw/zinc/09/47/97/513094797.db2.gz SNJRUIRDBGLLRT-GZTJUZNOSA-N 0 2 374.352 2.917 40 10 FFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000059426672 136132240 /nfs/dbraw/zinc/13/22/40/136132240.db2.gz DWLJOSRJQHHQIR-NTEUORMPSA-N 0 2 371.736 2.915 40 10 FFCBLN Cc1cccc(NNC=C2C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408534539 513085276 /nfs/dbraw/zinc/08/52/76/513085276.db2.gz VXMJCFNXHLSJEF-LFIBNONCSA-N 0 2 364.405 2.695 40 10 FFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1O ZINC000408879542 513094570 /nfs/dbraw/zinc/09/45/70/513094570.db2.gz FCQKXEJUGHILAW-NTEUORMPSA-N 0 2 366.373 2.684 40 10 FFCBLN COc1ccccc1NC=C1C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408539175 513086240 /nfs/dbraw/zinc/08/62/40/513086240.db2.gz UNVOTWWYHSEWGE-SDNWHVSQSA-N 0 2 365.389 2.891 40 10 FFCBLN C[C@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)ccc2O1 ZINC000408710809 513091523 /nfs/dbraw/zinc/09/15/23/513091523.db2.gz MHLWGMIBZNGIKH-YAFRSCOQSA-N 0 2 366.348 2.816 40 10 FFCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000408802738 513093943 /nfs/dbraw/zinc/09/39/43/513093943.db2.gz GSPVHGNJZYYRJM-FOWTUZBSSA-N 0 2 366.373 2.760 40 10 FFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3O)C2=O)cc1 ZINC000408881726 513094692 /nfs/dbraw/zinc/09/46/92/513094692.db2.gz MHMCTVUCNLOCQX-MHWRWJLKSA-N 0 2 366.373 2.630 40 10 FFCBLN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409395317 513102259 /nfs/dbraw/zinc/10/22/59/513102259.db2.gz METZMTHERNHGAG-UVTDQMKNSA-N 0 2 371.780 2.800 40 10 FFCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408804325 263496193 /nfs/dbraw/zinc/49/61/93/263496193.db2.gz XPAQZVSBIDLARJ-FOWTUZBSSA-N 0 2 366.373 2.847 40 10 FFCBLN Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(F)cc3)C1=O)OCO2 ZINC000408967721 263512260 /nfs/dbraw/zinc/51/22/60/263512260.db2.gz XENFONRKQGQRAK-VGOFMYFVSA-N 0 2 368.320 2.529 40 10 FFCBLN O=C([O-])CNc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccc2)[nH+]1 ZINC000329024458 527610923 /nfs/dbraw/zinc/61/09/23/527610923.db2.gz OZXOSKDVOQAVQO-UHFFFAOYSA-N 0 2 370.796 2.587 40 10 FFCBLN O=C(Oc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O)c1ccco1 ZINC000033732255 506361349 /nfs/dbraw/zinc/36/13/49/506361349.db2.gz KAZKHDJANSRPRU-DTQAZKPQSA-N 0 2 374.352 2.960 40 10 FFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408739393 513092956 /nfs/dbraw/zinc/09/29/56/513092956.db2.gz BJTRTLWIIUXHFO-XNTDXEJSSA-N 0 2 351.318 2.570 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3)C2=O)c(C)c1 ZINC000100958883 132233601 /nfs/dbraw/zinc/23/36/01/132233601.db2.gz JNVRVXLIXMRSFF-GDNBJRDFSA-N 0 2 351.362 2.588 40 10 FFCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)o1 ZINC000408817433 513093905 /nfs/dbraw/zinc/09/39/05/513093905.db2.gz NHUOESCXOXFMGH-ACCUITESSA-N 0 2 371.368 2.931 40 10 FFCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000009265486 506687845 /nfs/dbraw/zinc/68/78/45/506687845.db2.gz PVERYIUEGAZWGH-ATVHPVEESA-N 0 2 358.357 2.539 40 10 FFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(O)c1 ZINC000408886944 513094591 /nfs/dbraw/zinc/09/45/91/513094591.db2.gz MXXOIAVTRZFTFV-OQLLNIDSSA-N 0 2 366.373 2.684 40 10 FFCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccoc1 ZINC000408962690 513095336 /nfs/dbraw/zinc/09/53/36/513095336.db2.gz JGMIKPNEQVOUIW-KPKJPENVSA-N 0 2 361.151 2.709 40 10 FFCBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408940913 513095832 /nfs/dbraw/zinc/09/58/32/513095832.db2.gz VPBXNLKHNNIFOG-XNTDXEJSSA-N 0 2 351.318 2.570 40 10 FFCBLN Cn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409103769 513098251 /nfs/dbraw/zinc/09/82/51/513098251.db2.gz YMMSVGARBONBLN-YRNVUSSQSA-N 0 2 364.188 2.998 40 10 FFCBLN COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(C)on1 ZINC000019894239 522935064 /nfs/dbraw/zinc/93/50/64/522935064.db2.gz CAXCAIBCRUJBTF-SFQUDFHCSA-N 0 2 354.366 2.635 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cn3)C2=O)c(C)c1 ZINC000408533578 513084917 /nfs/dbraw/zinc/08/49/17/513084917.db2.gz OLBQRNHPSXLPRC-UKTHLTGXSA-N 0 2 370.796 2.931 40 10 FFCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408849845 513094307 /nfs/dbraw/zinc/09/43/07/513094307.db2.gz ZQYYQYHOSWKRTE-GZTJUZNOSA-N 0 2 350.374 2.978 40 10 FFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3C)OCO4)C2=O)cc1 ZINC000408966618 513095548 /nfs/dbraw/zinc/09/55/48/513095548.db2.gz PPCUBUYXZLJBOV-OVCLIPMQSA-N 0 2 364.357 2.699 40 10 FFCBLN CN1N=C(c2ccccc2)/C(=C\c2c(=O)n(C)[nH]c2-c2ccccc2)C1=O ZINC000013914266 220099141 /nfs/dbraw/zinc/09/91/41/220099141.db2.gz KXZZPPRCORNCOG-LGMDPLHJSA-N 0 2 358.401 2.640 40 10 FFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1Cl ZINC000408953895 263509956 /nfs/dbraw/zinc/50/99/56/263509956.db2.gz QJHZBEKSCDIBIE-KPKJPENVSA-N 0 2 370.748 2.735 40 10 FFCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000409212563 263542881 /nfs/dbraw/zinc/54/28/81/263542881.db2.gz RAFTWCWYBWEEKG-RIYZIHGNSA-N 0 2 371.736 2.915 40 10 FFCBLN COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033696073 506362259 /nfs/dbraw/zinc/36/22/59/506362259.db2.gz QSRXJOPYFGCMGD-GHXNOFRVSA-N 0 2 373.752 2.718 40 10 FFCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000408965689 513095842 /nfs/dbraw/zinc/09/58/42/513095842.db2.gz LNYQZDURFAATBT-MDWZMJQESA-N 0 2 360.728 2.851 40 10 FFCBLN