smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc(OC)c1O ZINC000012274934 521973938 /nfs/dbraw/zinc/97/39/38/521973938.db2.gz MNNHHDLYFZPHSD-PXNMLYILSA-N -1 0 431.491 3.822 40 10 IHCBRM CCn1c2cc(N=Cc3c(C)[n-]n(-c4ccc(C)cc4)c3=O)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408529315 555723030 /nfs/dbraw/zinc/72/30/30/555723030.db2.gz HLNYZJKCMNTYOK-LGMDPLHJSA-N -1 0 448.483 3.778 40 10 IHCBRM CCC(=O)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408536663 555774015 /nfs/dbraw/zinc/77/40/15/555774015.db2.gz SKSKQYVEQCEIQH-GDNBJRDFSA-N -1 0 432.354 3.687 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1F ZINC000408692598 556095876 /nfs/dbraw/zinc/09/58/76/556095876.db2.gz QJAQTIXCKZRYFX-LDADJPATSA-N -1 0 438.455 3.818 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408694232 556096234 /nfs/dbraw/zinc/09/62/34/556096234.db2.gz GSWDZEOKRCJZPB-CPNJWEJPSA-N -1 0 435.436 3.578 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741640 556215002 /nfs/dbraw/zinc/21/50/02/556215002.db2.gz RHYAOUCZAQTQJC-KGENOOAVSA-N -1 0 443.415 3.840 40 10 IHCBRM O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000008820359 556220468 /nfs/dbraw/zinc/22/04/68/556220468.db2.gz SFPFHCMPTNMNFB-GUSDSWBTSA-N -1 0 441.490 3.697 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000009263189 556270100 /nfs/dbraw/zinc/27/01/00/556270100.db2.gz GFAYHUIHGUFJGD-ATVHPVEESA-N -1 0 434.473 3.795 40 10 IHCBRM CC[C@@H](C)Oc1c(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cccc1OC ZINC000015013703 556484548 /nfs/dbraw/zinc/48/45/48/556484548.db2.gz HLQNMBMTHNTABU-KAECEXQPSA-N -1 0 428.485 3.843 40 10 IHCBRM O=C(Oc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)NC1=O)c1cccc2ccccc21 ZINC000408757861 556587400 /nfs/dbraw/zinc/58/74/00/556587400.db2.gz DLPVHFZYFKKYSI-UHFFFAOYSA-N -1 0 436.423 3.962 40 10 IHCBRM COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2C(=O)[O-])C1=O ZINC000016695943 556628853 /nfs/dbraw/zinc/62/88/53/556628853.db2.gz JALBBTBBQBPUNZ-ATVHPVEESA-N -1 0 442.518 3.623 40 10 IHCBRM CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408800996 556858623 /nfs/dbraw/zinc/85/86/23/556858623.db2.gz QYOGKPBTUKSGQU-LFIBNONCSA-N -1 0 429.270 3.903 40 10 IHCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(Cl)c3)C2=O)cc1 ZINC000408816805 556864011 /nfs/dbraw/zinc/86/40/11/556864011.db2.gz ZFHUACKIKSRZKI-LFIBNONCSA-N -1 0 442.855 3.582 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1O ZINC000408851161 556870945 /nfs/dbraw/zinc/87/09/45/556870945.db2.gz VROTWGGOAVIPDQ-DHZHZOJOSA-N -1 0 437.304 3.929 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1 ZINC000408901305 556882642 /nfs/dbraw/zinc/88/26/42/556882642.db2.gz XAHXJWRXFGSGLW-WJDWOHSUSA-N -1 0 445.269 3.610 40 10 IHCBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000408912335 556886384 /nfs/dbraw/zinc/88/63/84/556886384.db2.gz FGHGKUMDZFTLSP-OVCLIPMQSA-N -1 0 432.835 3.943 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408936921 556895957 /nfs/dbraw/zinc/89/59/57/556895957.db2.gz LILGIKXOWIYWOM-STZFKDTASA-N -1 0 443.415 3.840 40 10 IHCBRM CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)cc1 ZINC000408952635 556898300 /nfs/dbraw/zinc/89/83/00/556898300.db2.gz MAQHBZFJSTZACS-CJLVFECKSA-N -1 0 444.560 3.937 40 10 IHCBRM COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000409087063 556950688 /nfs/dbraw/zinc/95/06/88/556950688.db2.gz ITWBPWQZUYDMJQ-AVPSXBMNSA-N -1 0 435.841 3.896 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000409202685 557001718 /nfs/dbraw/zinc/00/17/18/557001718.db2.gz SUHPILZRFDUFPQ-KGENOOAVSA-N -1 0 443.415 3.840 40 10 IHCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)[N-]C2=S)c1 ZINC000409228767 557015598 /nfs/dbraw/zinc/01/55/98/557015598.db2.gz DUJLOQVBBYGQID-DEDYPNTBSA-N -1 0 446.532 3.719 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OC)c2O[C@H](C)CC)C1=O ZINC000409238182 557019867 /nfs/dbraw/zinc/01/98/67/557019867.db2.gz LYPSCVJFJOMTTJ-PWVLXBNSSA-N -1 0 438.480 3.938 40 10 IHCBRM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OC ZINC000409243780 557033447 /nfs/dbraw/zinc/03/34/47/557033447.db2.gz YMHFZINHTSGKHW-NTEUORMPSA-N -1 0 436.411 3.554 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Cl)c1O ZINC000409348097 557076156 /nfs/dbraw/zinc/07/61/56/557076156.db2.gz RBBSDDBBQHEBCU-GHXNOFRVSA-N -1 0 426.928 3.662 40 10 IHCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3OC)C(=O)[N-]C2=S)cc1 ZINC000409388740 557100135 /nfs/dbraw/zinc/10/01/35/557100135.db2.gz WOQCJYYFGVXHIX-XSFVSMFZSA-N -1 0 435.549 3.689 40 10 IHCBRM O=C1C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000040845897 557231896 /nfs/dbraw/zinc/23/18/96/557231896.db2.gz OPIIMPIUCVBLNP-UHFFFAOYSA-N -1 0 429.388 3.884 40 10 IHCBRM CC(C)[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)N1C(=O)/C(=C/c2ccco2)SC1=S ZINC000033539364 557409413 /nfs/dbraw/zinc/40/94/13/557409413.db2.gz FXIMEMWEGNVUPI-TYWAAFNRSA-N -1 0 446.506 3.548 40 10 IHCBRM O=C([O-])c1cc(NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)ccc1O ZINC000033548425 557410000 /nfs/dbraw/zinc/41/00/00/557410000.db2.gz QIZMGBFVRKEASX-VIZOYTHASA-N -1 0 448.909 3.584 40 10 IHCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000107783953 569251246 /nfs/dbraw/zinc/25/12/46/569251246.db2.gz AOCIZGDBNCGBCZ-XYOKQWHBSA-N -1 0 435.263 3.985 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000107828443 569260675 /nfs/dbraw/zinc/26/06/75/569260675.db2.gz SXESKVMNRVLWQR-BOPFTXTBSA-N -1 0 436.811 3.897 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1c(-c2ccccc2)nc2sc(C3CC3)nn12 ZINC000041074167 569526318 /nfs/dbraw/zinc/52/63/18/569526318.db2.gz MCKOCRRTZFJMPT-GHRIWEEISA-N -1 0 427.489 3.797 40 10 IHCBRM COc1cccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)c1OC ZINC000001239281 555687187 /nfs/dbraw/zinc/68/71/87/555687187.db2.gz WEXVYISECLIUJO-YSKWHIJTSA-N -1 0 429.519 3.601 40 10 IHCBRM Cc1cccc(C(=O)Oc2c(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cccc2[N+](=O)[O-])c1 ZINC000035214442 556004599 /nfs/dbraw/zinc/00/45/99/556004599.db2.gz WXTUMQZHESQNQE-RGEXLXHISA-N -1 0 443.415 3.584 40 10 IHCBRM CCC[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870190 556229362 /nfs/dbraw/zinc/22/93/62/556229362.db2.gz KFEVACHFYBAXMP-QRYCYYKXSA-N -1 0 432.567 3.594 40 10 IHCBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O ZINC000408757411 556250239 /nfs/dbraw/zinc/25/02/39/556250239.db2.gz MYKMHLZDEMGCEA-HZHRSRAPSA-N -1 0 442.519 3.810 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408779448 556853950 /nfs/dbraw/zinc/85/39/50/556853950.db2.gz FAJRKLLTXRDMTM-LDADJPATSA-N -1 0 446.444 3.613 40 10 IHCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408799826 556857835 /nfs/dbraw/zinc/85/78/35/556857835.db2.gz LQYLHHMLIKDILC-SFQUDFHCSA-N -1 0 429.270 3.904 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(OCC)c3)C2=O)cc1 ZINC000408802887 556859631 /nfs/dbraw/zinc/85/96/31/556859631.db2.gz IVOCOYDCRPDZPI-CPNJWEJPSA-N -1 0 438.480 3.938 40 10 IHCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408816924 556863855 /nfs/dbraw/zinc/86/38/55/556863855.db2.gz SPMYEDKCZCZXCK-UHFFFAOYSA-N -1 0 435.263 3.721 40 10 IHCBRM CCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000408867206 556873991 /nfs/dbraw/zinc/87/39/91/556873991.db2.gz KDMDGCMVMWJKEI-LCYFTJDESA-N -1 0 432.835 3.943 40 10 IHCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OCC)c3)C2=O)cc1 ZINC000408893452 556881820 /nfs/dbraw/zinc/88/18/20/556881820.db2.gz AQDCEESJRTYOLI-RGEXLXHISA-N -1 0 438.480 3.939 40 10 IHCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1 ZINC000408991151 556911396 /nfs/dbraw/zinc/91/13/96/556911396.db2.gz ZHXIEJWENBMWIM-UYRXBGFRSA-N -1 0 430.416 3.874 40 10 IHCBRM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1=O ZINC000409020380 556924359 /nfs/dbraw/zinc/92/43/59/556924359.db2.gz OSJHWFWVSKNXHP-XWAFYUISSA-N -1 0 442.493 3.780 40 10 IHCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000409098360 556954127 /nfs/dbraw/zinc/95/41/27/556954127.db2.gz PQYFMIFPKAEOFV-CRRKTRLDSA-N -1 0 440.521 3.712 40 10 IHCBRM CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C1=O)OCO2 ZINC000409099607 556954714 /nfs/dbraw/zinc/95/47/14/556954714.db2.gz RGRRRNMWIAAWOF-XGICHPGQSA-N -1 0 449.246 3.787 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)[N-]C1=S ZINC000409174030 556984755 /nfs/dbraw/zinc/98/47/55/556984755.db2.gz QCFSXADOJUGMSP-GHRIWEEISA-N -1 0 439.512 3.656 40 10 IHCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409204693 557003043 /nfs/dbraw/zinc/00/30/43/557003043.db2.gz JLOKTESFHGQFPD-HRYJJRBTSA-N -1 0 441.915 3.912 40 10 IHCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000409247458 557028903 /nfs/dbraw/zinc/02/89/03/557028903.db2.gz HLOIMYXTELJVOL-WUXMJOGZSA-N -1 0 426.803 3.896 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1 ZINC000409373403 557089888 /nfs/dbraw/zinc/08/98/88/557089888.db2.gz RNRUYDWEWAJQHY-XDHOZWIPSA-N -1 0 432.432 3.529 40 10 IHCBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)c2C)cc1 ZINC000409394388 557098513 /nfs/dbraw/zinc/09/85/13/557098513.db2.gz ZUYNMJLKKOXSCL-KGENOOAVSA-N -1 0 430.464 3.554 40 10 IHCBRM CC(C)(C)n1cccc1/C=C1/C(=O)[N-]C(=S)N(c2cccc(Br)c2)C1=O ZINC000101735951 557126222 /nfs/dbraw/zinc/12/62/22/557126222.db2.gz NJJLGPMGRDMERH-PTNGSMBKSA-N -1 0 432.343 3.837 40 10 IHCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000014132727 557421597 /nfs/dbraw/zinc/42/15/97/557421597.db2.gz DQYLBVOJZDXCBC-UDWIEESQSA-N -1 0 444.447 3.977 40 10 IHCBRM C=CCOc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC ZINC000034837968 569260079 /nfs/dbraw/zinc/26/00/79/569260079.db2.gz FQJWJHBOIZWACJ-WJDWOHSUSA-N -1 0 443.297 3.874 40 10 IHCBRM N#Cc1ccccc1COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000108243821 569260967 /nfs/dbraw/zinc/26/09/67/569260967.db2.gz AKTGDZULZATANO-MOSHPQCFSA-N -1 0 440.415 3.507 40 10 IHCBRM N=C1/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000041076734 569526508 /nfs/dbraw/zinc/52/65/08/569526508.db2.gz PAIZFLOGWMUMIN-HUMIGVHUSA-N -1 0 432.417 3.905 40 10 IHCBRM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)cc1O ZINC000012275234 526374274 /nfs/dbraw/zinc/37/42/74/526374274.db2.gz AHGJRDIUESGNAS-IZZDOVSWSA-N -1 0 426.269 3.852 40 10 IHCBRM CCc1cc2c(=O)c(Oc3cnn(-c4ccccc4)c3)coc2c(CN2CCOCC2)c1[O-] ZINC000000632987 555515524 /nfs/dbraw/zinc/51/55/24/555515524.db2.gz RENHCCMVSNGIDR-UHFFFAOYSA-N -1 0 447.491 3.871 40 10 IHCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3C)C2=O)c1 ZINC000408537154 555768998 /nfs/dbraw/zinc/76/89/98/555768998.db2.gz ZIKPVPZSTIBAOL-XNTDXEJSSA-N -1 0 428.286 3.953 40 10 IHCBRM COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2C)c1 ZINC000408692151 556094452 /nfs/dbraw/zinc/09/44/52/556094452.db2.gz FMMIKTRDCPTPFH-UDWIEESQSA-N -1 0 449.507 3.594 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc(Cl)c1O ZINC000016688253 556626293 /nfs/dbraw/zinc/62/62/93/556626293.db2.gz CUNDHSIWKTZUJC-MLPAPPSSSA-N -1 0 437.677 3.668 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000408801721 556858954 /nfs/dbraw/zinc/85/89/54/556858954.db2.gz VKDXCCYWXUMRCU-DEDYPNTBSA-N -1 0 443.415 3.840 40 10 IHCBRM CCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408802757 556859609 /nfs/dbraw/zinc/85/96/09/556859609.db2.gz GZSRVOCJQDWYJR-MHWRWJLKSA-N -1 0 429.816 3.703 40 10 IHCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408813400 556861267 /nfs/dbraw/zinc/86/12/67/556861267.db2.gz UEAYNKXERUSGKZ-UHFFFAOYSA-N -1 0 428.872 3.684 40 10 IHCBRM CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408872853 556875295 /nfs/dbraw/zinc/87/52/95/556875295.db2.gz KCJKQFKLDBVFKF-RAXLEYEMSA-N -1 0 433.233 3.653 40 10 IHCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408935048 556895467 /nfs/dbraw/zinc/89/54/67/556895467.db2.gz CDAUJSMPXHVBKT-CPNJWEJPSA-N -1 0 431.404 3.813 40 10 IHCBRM Cc1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)c2)cc1 ZINC000408940852 556896620 /nfs/dbraw/zinc/89/66/20/556896620.db2.gz VIQRNCKSSLCPTN-HMAPJEAMSA-N -1 0 428.444 3.946 40 10 IHCBRM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408993284 556912684 /nfs/dbraw/zinc/91/26/84/556912684.db2.gz DBRLIJNZERCLTC-UHFFFAOYSA-N -1 0 433.439 3.562 40 10 IHCBRM COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000409012048 556918413 /nfs/dbraw/zinc/91/84/13/556918413.db2.gz IPOIRBSQYPPAEY-OVCLIPMQSA-N -1 0 430.913 3.805 40 10 IHCBRM COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000409017494 556919421 /nfs/dbraw/zinc/91/94/21/556919421.db2.gz WYKABQGYWNGTRP-DEDYPNTBSA-N -1 0 446.484 3.989 40 10 IHCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)c1 ZINC000409020106 556924365 /nfs/dbraw/zinc/92/43/65/556924365.db2.gz LXKOUWYJNOSODN-DEDYPNTBSA-N -1 0 446.488 3.834 40 10 IHCBRM COC(=O)c1cccc(-n2c(C)cc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])c2C)c1C ZINC000409195948 556994133 /nfs/dbraw/zinc/99/41/33/556994133.db2.gz XBYNIEDUECVFEO-VCHYOVAHSA-N -1 0 426.498 3.833 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409204749 557003066 /nfs/dbraw/zinc/00/30/66/557003066.db2.gz JYIMJDWFVLCEDH-BCVDLATCSA-N -1 0 437.565 3.732 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409249287 557029792 /nfs/dbraw/zinc/02/97/92/557029792.db2.gz KAZKBTKSIGKFGY-CPNJWEJPSA-N -1 0 430.533 3.937 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409250837 557031241 /nfs/dbraw/zinc/03/12/41/557031241.db2.gz YIDVOODMXAMTBB-YBEGLDIGSA-N -1 0 438.237 3.771 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3OC)C2=O)cc1 ZINC000409242083 557032315 /nfs/dbraw/zinc/03/23/15/557032315.db2.gz QCNZTYMDCZQLSA-RCCKNPSSSA-N -1 0 449.507 3.751 40 10 IHCBRM COc1cccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1OCC(=O)[O-] ZINC000409327019 557061723 /nfs/dbraw/zinc/06/17/23/557061723.db2.gz GOKHMLCADPFQBH-GZTJUZNOSA-N -1 0 444.534 3.630 40 10 IHCBRM O=C([N-]N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S)c1cccs1 ZINC000409342058 557069605 /nfs/dbraw/zinc/06/96/05/557069605.db2.gz BGFCTGAMSNDPIE-GHXNOFRVSA-N -1 0 425.900 3.856 40 10 IHCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OC(C)=O ZINC000409343024 557070664 /nfs/dbraw/zinc/07/06/64/557070664.db2.gz FSKFJKTYEWGPNM-MHWRWJLKSA-N -1 0 448.547 3.618 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409390437 557095215 /nfs/dbraw/zinc/09/52/15/557095215.db2.gz FLCHIUFYCRQQTG-UVTDQMKNSA-N -1 0 438.783 3.570 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)CC ZINC000033533112 569259289 /nfs/dbraw/zinc/25/92/89/569259289.db2.gz RZCHEOWFTRTMSZ-RQNDZEIBSA-N -1 0 425.441 3.632 40 10 IHCBRM CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000033550962 569259331 /nfs/dbraw/zinc/25/93/31/569259331.db2.gz ILZLPSXPLXSKCM-GHXNOFRVSA-N -1 0 446.344 3.532 40 10 IHCBRM CCSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-])Nc1ccccc1-2 ZINC000003108986 569440334 /nfs/dbraw/zinc/44/03/34/569440334.db2.gz PHPCERJFHSKSIG-INIZCTEOSA-N -1 0 442.413 3.676 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)c(C)c1 ZINC000408532232 569584257 /nfs/dbraw/zinc/58/42/57/569584257.db2.gz PZOSDKPAGMKBBM-UKTHLTGXSA-N -1 0 426.885 4.145 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C1/c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000020523055 527083190 /nfs/dbraw/zinc/08/31/90/527083190.db2.gz DXCSVFJLCZBPEU-MRCUWXFGSA-N -1 0 429.863 3.718 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3Cl)C2=O)cc1 ZINC000408533263 555746322 /nfs/dbraw/zinc/74/63/22/555746322.db2.gz RUKKWYKZWXGHJM-LCYFTJDESA-N -1 0 434.677 3.990 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)CC ZINC000408538178 555776748 /nfs/dbraw/zinc/77/67/48/555776748.db2.gz YYNIEYQCCPNDKV-WJDWOHSUSA-N -1 0 442.855 3.721 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000408695298 556097430 /nfs/dbraw/zinc/09/74/30/556097430.db2.gz RIHTZLKEEZPFEJ-LDADJPATSA-N -1 0 435.436 3.578 40 10 IHCBRM CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408725961 556156175 /nfs/dbraw/zinc/15/61/75/556156175.db2.gz NPCJUWZXOJTKKT-RGEXLXHISA-N -1 0 438.480 3.939 40 10 IHCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408740132 556211697 /nfs/dbraw/zinc/21/16/97/556211697.db2.gz IQCDIOBNUXDQQE-NTEUORMPSA-N -1 0 445.269 3.523 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741740 556215316 /nfs/dbraw/zinc/21/53/16/556215316.db2.gz RUOFQZFLHRRYGB-PXLXIMEGSA-N -1 0 444.560 3.991 40 10 IHCBRM CC(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000013627189 556537781 /nfs/dbraw/zinc/53/77/81/556537781.db2.gz ACDGIFVVMOEASV-CJLVFECKSA-N -1 0 447.520 3.991 40 10 IHCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 ZINC000408757990 556630193 /nfs/dbraw/zinc/63/01/93/556630193.db2.gz TYGHOPBJDCYKCU-XKZIYDEJSA-N -1 0 444.491 3.781 40 10 IHCBRM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000101065896 556653232 /nfs/dbraw/zinc/65/32/32/556653232.db2.gz SYPBHEQVTDEXFB-ONTIZHBOSA-N -1 0 434.423 3.591 40 10 IHCBRM CCCN(CCCCS(=O)(=O)[O-])c1ccc(N=Nc2ccc([N+](=O)[O-])cn2)c(O)c1 ZINC000071404948 556737670 /nfs/dbraw/zinc/73/76/70/556737670.db2.gz XOXBYPSJKDQHSU-QZQOTICOSA-N -1 0 437.478 3.995 40 10 IHCBRM CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000096295543 556759697 /nfs/dbraw/zinc/75/96/97/556759697.db2.gz SIFVCQCQAKWGQN-VABKMULXSA-N -1 0 431.467 3.943 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408804189 556860248 /nfs/dbraw/zinc/86/02/48/556860248.db2.gz CYIPAOBSLPDQBT-XNTDXEJSSA-N -1 0 445.269 3.523 40 10 IHCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)c1 ZINC000408846544 556868927 /nfs/dbraw/zinc/86/89/27/556868927.db2.gz NXBJVJSBWBCWQZ-XNTDXEJSSA-N -1 0 444.285 3.617 40 10 IHCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc2c(c1)OCCO2 ZINC000408853185 556870079 /nfs/dbraw/zinc/87/00/79/556870079.db2.gz ZIWQFAPPUQJRNK-DHZHZOJOSA-N -1 0 435.288 3.596 40 10 IHCBRM CCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408869838 556872958 /nfs/dbraw/zinc/87/29/58/556872958.db2.gz UGSFPVRCCYOOMQ-GDNBJRDFSA-N -1 0 430.913 3.969 40 10 IHCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408871689 556875010 /nfs/dbraw/zinc/87/50/10/556875010.db2.gz ZFMNAMTYCNLYLU-CXUHLZMHSA-N -1 0 429.270 3.741 40 10 IHCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2O)C1=O ZINC000408891085 556879005 /nfs/dbraw/zinc/87/90/05/556879005.db2.gz LEMATGFSGJQOCQ-XYOKQWHBSA-N -1 0 435.661 3.783 40 10 IHCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c1 ZINC000408949508 556897729 /nfs/dbraw/zinc/89/77/29/556897729.db2.gz BHTTZESFMDNKJD-PXLXIMEGSA-N -1 0 444.560 3.991 40 10 IHCBRM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408954394 556898964 /nfs/dbraw/zinc/89/89/64/556898964.db2.gz SVJGUPQUAXATHO-CPNJWEJPSA-N -1 0 437.908 3.971 40 10 IHCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)[N-]C2=S)c(C)c1 ZINC000409123391 556962224 /nfs/dbraw/zinc/96/22/24/556962224.db2.gz GBTPZUWVHFSQGK-MDWZMJQESA-N -1 0 431.311 3.603 40 10 IHCBRM Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000409134478 556968651 /nfs/dbraw/zinc/96/86/51/556968651.db2.gz TZDXMGGVOLMQRL-CPNJWEJPSA-N -1 0 446.488 3.834 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccccn1 ZINC000409136150 556969628 /nfs/dbraw/zinc/96/96/28/556969628.db2.gz SWIKGJVOYMRYEQ-CPNJWEJPSA-N -1 0 430.533 3.937 40 10 IHCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2C)C1=O ZINC000409140958 556972177 /nfs/dbraw/zinc/97/21/77/556972177.db2.gz HHONITVIUNXSAG-XNTDXEJSSA-N -1 0 445.338 3.906 40 10 IHCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409166371 556982235 /nfs/dbraw/zinc/98/22/35/556982235.db2.gz FFLQCNMQGBPXEC-UKTHLTGXSA-N -1 0 446.912 3.587 40 10 IHCBRM CCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c1OCC(=O)[O-] ZINC000409218483 557012949 /nfs/dbraw/zinc/01/29/49/557012949.db2.gz VNHYRWDTCAMFBP-GZTJUZNOSA-N -1 0 445.518 3.963 40 10 IHCBRM Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[N-]C1=S ZINC000409240048 557021268 /nfs/dbraw/zinc/02/12/68/557021268.db2.gz PJJNMHOJWSERPQ-SFQUDFHCSA-N -1 0 433.445 3.995 40 10 IHCBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)c2C)cc1 ZINC000409230248 557021981 /nfs/dbraw/zinc/02/19/81/557021981.db2.gz XSHWNMLBHDWJMX-FYJGNVAPSA-N -1 0 430.464 3.554 40 10 IHCBRM CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000409233084 557024614 /nfs/dbraw/zinc/02/46/14/557024614.db2.gz JVWONPDWOIUMMR-RVDMUPIBSA-N -1 0 445.338 3.988 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)cc1F ZINC000409232974 557024624 /nfs/dbraw/zinc/02/46/24/557024624.db2.gz TZONLVIIXWUGIN-RVDMUPIBSA-N -1 0 429.904 3.911 40 10 IHCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409249691 557030220 /nfs/dbraw/zinc/03/02/20/557030220.db2.gz VETXOHKAKOAMLF-RVDMUPIBSA-N -1 0 437.443 3.976 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409352005 557079095 /nfs/dbraw/zinc/07/90/95/557079095.db2.gz VLHWFJHWDAXQEW-AUWJEWJLSA-N -1 0 433.423 3.623 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000000725143 557116176 /nfs/dbraw/zinc/11/61/76/557116176.db2.gz FYBYWAMHZPDVFE-NTUHNPAUSA-N -1 0 441.203 3.938 40 10 IHCBRM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(N(C)C)cc3)C2)c1 ZINC000095532094 557157822 /nfs/dbraw/zinc/15/78/22/557157822.db2.gz ULGSJXWHXRHYQE-QFIPXVFZSA-N -1 0 439.512 3.702 40 10 IHCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 ZINC000106763202 557161374 /nfs/dbraw/zinc/16/13/74/557161374.db2.gz QTADCZBNGXZDJG-WQRHYEAKSA-N -1 0 440.477 3.612 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000100947696 557279498 /nfs/dbraw/zinc/27/94/98/557279498.db2.gz RFMRPOWLZRCLSV-NTEUORMPSA-N -1 0 447.278 3.899 40 10 IHCBRM O=C1C(=NNc2c(O)ccc3cc(S(=O)(=O)[O-])ccc32)C=C([N+](=O)[O-])C=C1[N+](=O)[O-] ZINC000104389406 557326347 /nfs/dbraw/zinc/32/63/47/557326347.db2.gz FTUJGONXWXGSFD-ZCXUNETKSA-N -1 0 434.342 3.730 40 10 IHCBRM O=C([O-])COc1ccc(C=C2SC(Nc3ccccc3Br)=NC2=O)cc1 ZINC000016906618 557475934 /nfs/dbraw/zinc/47/59/34/557475934.db2.gz JHOYMELIAJHYAF-OQLLNIDSSA-N -1 0 433.283 3.995 40 10 IHCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000059502719 557826736 /nfs/dbraw/zinc/82/67/36/557826736.db2.gz SAISDJYFZKBAKN-FMIVXFBMSA-N -1 0 435.661 3.778 40 10 IHCBRM Cc1ccc(C)n1-c1ccc(S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000001706302 569082219 /nfs/dbraw/zinc/08/22/19/569082219.db2.gz HFAUVSJJTZFPEH-UHFFFAOYSA-N -1 0 426.494 3.730 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)CC ZINC000033533110 569259356 /nfs/dbraw/zinc/25/93/56/569259356.db2.gz RZCHEOWFTRTMSZ-FMNVXAMXSA-N -1 0 425.441 3.632 40 10 IHCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1O ZINC000038161399 569260234 /nfs/dbraw/zinc/26/02/34/569260234.db2.gz QMLJHTXFMYDECC-WUXMJOGZSA-N -1 0 435.230 3.649 40 10 IHCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1O ZINC000001245880 132240724 /nfs/dbraw/zinc/24/07/24/132240724.db2.gz TYYAZOHZYNVFNK-NTUHNPAUSA-N -1 0 447.241 3.679 40 10 IHCBRM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3O4)c2C(=O)OC)C1 ZINC000020568739 521364003 /nfs/dbraw/zinc/36/40/03/521364003.db2.gz DIMFTUHFTPGNFD-KHEYOILXSA-N -1 0 449.569 3.893 40 10 IHCBRM COc1cc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)[O-] ZINC000015015861 521976850 /nfs/dbraw/zinc/97/68/50/521976850.db2.gz GVZHQYREQWONPM-YVLHZVERSA-N -1 0 432.885 3.919 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)C(=O)N1 ZINC000020534056 527046244 /nfs/dbraw/zinc/04/62/44/527046244.db2.gz WUPFJMOILKVQTP-UHFFFAOYSA-N -1 0 426.435 3.945 40 10 IHCBRM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S ZINC000012275228 527648489 /nfs/dbraw/zinc/64/84/89/527648489.db2.gz JKXPSLRGOINWPI-AUWXEVLLSA-N -1 0 438.324 3.939 40 10 IHCBRM Cc1ccc(NC(=S)N/C=C2\C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)c(C)c1 ZINC000408526134 555715321 /nfs/dbraw/zinc/71/53/21/555715321.db2.gz ACCJSDFPRRBQFP-GZTJUZNOSA-N -1 0 436.537 3.682 40 10 IHCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(=O)c3ccccc3)C2=O)c1 ZINC000408531432 555732731 /nfs/dbraw/zinc/73/27/31/555732731.db2.gz GVWXNWKUZYUXBY-HKWRFOASSA-N -1 0 426.428 3.881 40 10 IHCBRM Cc1cc(O)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408535997 555758087 /nfs/dbraw/zinc/75/80/87/555758087.db2.gz VDCKMIAJVBLGBM-NTEUORMPSA-N -1 0 444.285 3.659 40 10 IHCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408535641 555764342 /nfs/dbraw/zinc/76/43/42/555764342.db2.gz ZFEJJYXDNUJWNR-UKTHLTGXSA-N -1 0 447.278 3.899 40 10 IHCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000408549756 555830406 /nfs/dbraw/zinc/83/04/06/555830406.db2.gz YJOPRFKASYTXFV-NTUHNPAUSA-N -1 0 435.263 3.985 40 10 IHCBRM CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870191 556229343 /nfs/dbraw/zinc/22/93/43/556229343.db2.gz KFEVACHFYBAXMP-ICTKWWEQSA-N -1 0 432.567 3.594 40 10 IHCBRM Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O ZINC000408757391 556237186 /nfs/dbraw/zinc/23/71/86/556237186.db2.gz MVUOTEGYKQNZID-PXLXIMEGSA-N -1 0 428.492 3.502 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000408771478 556846898 /nfs/dbraw/zinc/84/68/98/556846898.db2.gz HGWBWBFYFDZXNK-NTCAYCPXSA-N -1 0 430.445 3.974 40 10 IHCBRM CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000408800974 556858353 /nfs/dbraw/zinc/85/83/53/556858353.db2.gz QPWAELFARXUWTR-LFIBNONCSA-N -1 0 445.269 3.523 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC ZINC000408804260 556860273 /nfs/dbraw/zinc/86/02/73/556860273.db2.gz WOHGKKBLEZFBKN-OQLLNIDSSA-N -1 0 430.844 3.509 40 10 IHCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408815427 556863246 /nfs/dbraw/zinc/86/32/46/556863246.db2.gz QFUOMLYNAICOKL-RVDMUPIBSA-N -1 0 429.270 3.904 40 10 IHCBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408865634 556873341 /nfs/dbraw/zinc/87/33/41/556873341.db2.gz DGJYBTYOEOSVIS-LICLKQGHSA-N -1 0 429.270 3.823 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1 ZINC000408883675 556877556 /nfs/dbraw/zinc/87/75/56/556877556.db2.gz RUKYGIPFHUIQIZ-FYJGNVAPSA-N -1 0 445.406 3.991 40 10 IHCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c([O-])c([N+](=O)[O-])c1 ZINC000408903178 556885770 /nfs/dbraw/zinc/88/57/70/556885770.db2.gz VEVSUKQPSBWECG-NTUHNPAUSA-N -1 0 449.204 3.711 40 10 IHCBRM CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408933844 556895264 /nfs/dbraw/zinc/89/52/64/556895264.db2.gz BPQITUOCGQZAJO-ATVHPVEESA-N -1 0 429.270 3.904 40 10 IHCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408948229 556898678 /nfs/dbraw/zinc/89/86/78/556898678.db2.gz FCOFYJHHAQHBLE-AAWHYMEISA-N -1 0 442.855 3.912 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408959901 556899980 /nfs/dbraw/zinc/89/99/80/556899980.db2.gz HVHUDFSNQRJJQI-LTGZKZEYSA-N -1 0 435.549 3.907 40 10 IHCBRM Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000408999373 556913576 /nfs/dbraw/zinc/91/35/76/556913576.db2.gz KQZVFOXWPATIJQ-DEDYPNTBSA-N -1 0 443.507 3.744 40 10 IHCBRM CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409018739 556920027 /nfs/dbraw/zinc/92/00/27/556920027.db2.gz TZUNNORTOIQIQO-XSFVSMFZSA-N -1 0 434.496 3.514 40 10 IHCBRM COc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2C)C1=O ZINC000409147976 556973675 /nfs/dbraw/zinc/97/36/75/556973675.db2.gz XJODKCVVKYXNQH-CPNJWEJPSA-N -1 0 435.549 3.744 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C)c2C)C(=O)[N-]C1=S ZINC000409168691 556982978 /nfs/dbraw/zinc/98/29/78/556982978.db2.gz RMZBTKWGLODRQD-NBVRZTHBSA-N -1 0 431.517 3.934 40 10 IHCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409173454 556984440 /nfs/dbraw/zinc/98/44/40/556984440.db2.gz NMXPUWSSXFKUKE-AOHITCTBSA-N -1 0 440.521 3.712 40 10 IHCBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409174401 556985027 /nfs/dbraw/zinc/98/50/27/556985027.db2.gz SATKWPNFYJOYDZ-UKTHLTGXSA-N -1 0 446.912 3.587 40 10 IHCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OC)cc3)C2=O)cc1OCC ZINC000409188516 556988698 /nfs/dbraw/zinc/98/86/98/556988698.db2.gz CNSDHASZWFFBFF-CPNJWEJPSA-N -1 0 438.480 3.545 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409199059 556992938 /nfs/dbraw/zinc/99/29/38/556992938.db2.gz NMUWFIJAOXMKFK-HDAJJNEKSA-N -1 0 441.915 3.599 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OC)c(OCC)c2)C1=O ZINC000409226256 557014328 /nfs/dbraw/zinc/01/43/28/557014328.db2.gz MHYXJCFJKMIABU-GXDHUFHOSA-N -1 0 444.871 3.812 40 10 IHCBRM COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409235754 557026367 /nfs/dbraw/zinc/02/63/67/557026367.db2.gz QHQXZNAZUBMHEX-LICLKQGHSA-N -1 0 440.521 3.667 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409243076 557032867 /nfs/dbraw/zinc/03/28/67/557032867.db2.gz YKUKUFJFTKHPMC-XSFVSMFZSA-N -1 0 446.532 3.719 40 10 IHCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S)c1cccs1 ZINC000409339865 557067469 /nfs/dbraw/zinc/06/74/69/557067469.db2.gz LZFSNYMEQUHBOL-KPKJPENVSA-N -1 0 441.353 3.762 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409390454 557095314 /nfs/dbraw/zinc/09/53/14/557095314.db2.gz FMGZKFWJKBGZFM-XNTDXEJSSA-N -1 0 438.783 3.570 40 10 IHCBRM COC(=O)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000059198519 557818545 /nfs/dbraw/zinc/81/85/45/557818545.db2.gz HDRROJGFQJWCJJ-XNTDXEJSSA-N -1 0 445.294 3.907 40 10 IHCBRM CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000009972636 569259178 /nfs/dbraw/zinc/25/91/78/569259178.db2.gz MRHAGYVSTYLUSQ-MLPAPPSSSA-N -1 0 446.344 3.532 40 10 IHCBRM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1 ZINC000033668581 569259670 /nfs/dbraw/zinc/25/96/70/569259670.db2.gz WTUKLKXITMLWSG-XSFVSMFZSA-N -1 0 445.431 3.644 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC(C)(C)C ZINC000034835753 569260001 /nfs/dbraw/zinc/26/00/01/569260001.db2.gz WATYSLXIOSSUGO-WJDWOHSUSA-N -1 0 425.441 3.632 40 10 IHCBRM COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C)C(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000028296970 569409791 /nfs/dbraw/zinc/40/97/91/569409791.db2.gz BHFVYCMDWDWDHK-KOLYXTFFSA-N -1 0 434.451 3.538 40 10 IHCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)c1 ZINC000408535370 569584141 /nfs/dbraw/zinc/58/41/41/569584141.db2.gz SLGFTERWDZXNPB-UKTHLTGXSA-N -1 0 426.885 4.145 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)cc1C ZINC000408531509 569584242 /nfs/dbraw/zinc/58/42/42/569584242.db2.gz OHPVIMUSNPNLQS-NTEUORMPSA-N -1 0 426.885 4.145 40 10 IHCBRM CN(C)c1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000004106674 132269744 /nfs/dbraw/zinc/26/97/44/132269744.db2.gz CLKFOXJWKNDLGM-JXAWBTAJSA-N -1 0 434.496 3.514 40 10 IHCBRM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3O4)c2C(=O)OC)C1 ZINC000020568743 521363496 /nfs/dbraw/zinc/36/34/96/521363496.db2.gz DIMFTUHFTPGNFD-UUZFVRLVSA-N -1 0 449.569 3.893 40 10 IHCBRM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])CCCCCCC2 ZINC000035861221 521418311 /nfs/dbraw/zinc/41/83/11/521418311.db2.gz UMAMRECRQJXFCC-BODMPHMZSA-N -1 0 435.542 3.791 40 10 IHCBRM CC[C@H](C)Oc1c(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cccc1OC ZINC000015013705 521758575 /nfs/dbraw/zinc/75/85/75/521758575.db2.gz HLQNMBMTHNTABU-IGWPVBGESA-N -1 0 428.485 3.843 40 10 IHCBRM CCOC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cl ZINC000408537017 555767565 /nfs/dbraw/zinc/76/75/65/555767565.db2.gz YULUMGUZFQBQAF-GZTJUZNOSA-N -1 0 441.871 3.712 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1O ZINC000035104036 555772979 /nfs/dbraw/zinc/77/29/79/555772979.db2.gz KCDYPXJVOREWMM-WQLSENKSSA-N -1 0 437.677 3.668 40 10 IHCBRM COc1cccc(Oc2ccc(NC=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2)c1 ZINC000408547053 555802087 /nfs/dbraw/zinc/80/20/87/555802087.db2.gz HUTDYLIMDKINIP-MOSHPQCFSA-N -1 0 433.420 3.655 40 10 IHCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3I)C2=O)cc1 ZINC000408550676 555867543 /nfs/dbraw/zinc/86/75/43/555867543.db2.gz IVPPRZKSXLXUEP-RVDMUPIBSA-N -1 0 446.244 3.520 40 10 IHCBRM CN1CCN(c2ccc(/C=C(/Sc3nc4ccccc4o3)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000408634073 556010336 /nfs/dbraw/zinc/01/03/36/556010336.db2.gz OPIPGUKEPRIYHR-CPNJWEJPSA-N -1 0 440.481 3.706 40 10 IHCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000408740056 556211630 /nfs/dbraw/zinc/21/16/30/556211630.db2.gz CTIWAXMGWAMVOU-XNTDXEJSSA-N -1 0 444.354 3.655 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000408740490 556212610 /nfs/dbraw/zinc/21/26/10/556212610.db2.gz LAIMDRZLWKLZLG-UYRXBGFRSA-N -1 0 447.403 3.920 40 10 IHCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408740481 556212718 /nfs/dbraw/zinc/21/27/18/556212718.db2.gz GJYUCKYYQOXRHW-PDGQHHTCSA-N -1 0 433.445 3.995 40 10 IHCBRM COc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000016216681 556591885 /nfs/dbraw/zinc/59/18/85/556591885.db2.gz WCEUZAPGWYGMLP-ZDLGFXPLSA-N -1 0 445.518 3.569 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000016428001 556606839 /nfs/dbraw/zinc/60/68/39/556606839.db2.gz CEQNDDDQWIVFGV-GHXNOFRVSA-N -1 0 432.186 3.570 40 10 IHCBRM COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000083312638 556663459 /nfs/dbraw/zinc/66/34/59/556663459.db2.gz MRXXRXLDXFMDBN-XNTDXEJSSA-N -1 0 431.242 3.973 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408759192 556685845 /nfs/dbraw/zinc/68/58/45/556685845.db2.gz ZKNMPSGMTUYFKR-RGVLZGJSSA-N -1 0 443.459 3.798 40 10 IHCBRM O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2nsnc21)N1CCCCC1 ZINC000000821812 556699395 /nfs/dbraw/zinc/69/93/95/556699395.db2.gz IGEXLXUBRNEZLP-UHFFFAOYSA-N -1 0 436.946 3.772 40 10 IHCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1Cl ZINC000408770709 556846747 /nfs/dbraw/zinc/84/67/47/556846747.db2.gz BAIVYIMAYAJYAF-QPEQYQDCSA-N -1 0 435.661 3.778 40 10 IHCBRM CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408806529 556858909 /nfs/dbraw/zinc/85/89/09/556858909.db2.gz FCXKGGLPLVPZFP-MHWRWJLKSA-N -1 0 445.269 3.523 40 10 IHCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408809909 556862144 /nfs/dbraw/zinc/86/21/44/556862144.db2.gz SQSMCGHWTVQMLN-UHFFFAOYSA-N -1 0 435.263 3.721 40 10 IHCBRM CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408868844 556874206 /nfs/dbraw/zinc/87/42/06/556874206.db2.gz NRAVSEIHOJZWHQ-PTNGSMBKSA-N -1 0 431.311 3.679 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC ZINC000408875807 556876663 /nfs/dbraw/zinc/87/66/63/556876663.db2.gz LBJDJWVKFKFBMU-GDNBJRDFSA-N -1 0 430.913 3.969 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1F ZINC000408953342 556898850 /nfs/dbraw/zinc/89/88/50/556898850.db2.gz PYGUQWLGROMNPA-LICLKQGHSA-N -1 0 447.422 3.628 40 10 IHCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C2=O)cc1 ZINC000408983761 556910688 /nfs/dbraw/zinc/91/06/88/556910688.db2.gz HNJBSHSBZRMLED-WJDWOHSUSA-N -1 0 442.313 3.744 40 10 IHCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])c([O-])cc1O ZINC000409030514 556926972 /nfs/dbraw/zinc/92/69/72/556926972.db2.gz DRDKKWBBGZHQET-FARCUNLSSA-N -1 0 429.257 3.508 40 10 IHCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(OC)c(N3CCCC3)cc2OC)C1=O ZINC000409105838 556958609 /nfs/dbraw/zinc/95/86/09/556958609.db2.gz LEGSCVTZQFHFDF-QGOAFFKASA-N -1 0 449.507 3.533 40 10 IHCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCC)C2=O)cc1OC ZINC000409127394 556965811 /nfs/dbraw/zinc/96/58/11/556965811.db2.gz PTKSMLQAZBMNKC-NBVRZTHBSA-N -1 0 438.480 3.545 40 10 IHCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCC)cc3)C2=O)cc1OC ZINC000409127594 556966055 /nfs/dbraw/zinc/96/60/55/556966055.db2.gz DJRNDQRKOVMYNS-CPNJWEJPSA-N -1 0 438.480 3.545 40 10 IHCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000409142199 556972845 /nfs/dbraw/zinc/97/28/45/556972845.db2.gz SBBLAPKRFDWQET-OVCLIPMQSA-N -1 0 449.897 3.808 40 10 IHCBRM CCOC(=O)c1ccc(-n2c(C)cc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])c2C)cc1 ZINC000409192117 556992233 /nfs/dbraw/zinc/99/22/33/556992233.db2.gz AMJNUVODPFEGFG-WQRHYEAKSA-N -1 0 426.498 3.915 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409195322 556993701 /nfs/dbraw/zinc/99/37/01/556993701.db2.gz HOGFFYAEXLFJHK-PYJSORCASA-N -1 0 443.956 3.769 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409199606 556998977 /nfs/dbraw/zinc/99/89/77/556998977.db2.gz ICCHERYSBZLKQC-GDNBJRDFSA-N -1 0 429.816 3.913 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1OC ZINC000409211312 557005911 /nfs/dbraw/zinc/00/59/11/557005911.db2.gz MVKYKUNNCHRUMX-JLHYYAGUSA-N -1 0 449.257 3.506 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1OCC ZINC000409213677 557008163 /nfs/dbraw/zinc/00/81/63/557008163.db2.gz UWHHLLOCSXNVEH-XMHGGMMESA-N -1 0 437.496 3.607 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000409216795 557011755 /nfs/dbraw/zinc/01/17/55/557011755.db2.gz LNVXARWXRBWXMK-UDWIEESQSA-N -1 0 442.427 3.661 40 10 IHCBRM CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C1=O)OCO2 ZINC000409227563 557014729 /nfs/dbraw/zinc/01/47/29/557014729.db2.gz PYJVOELFUSOTTG-RQZCQDPDSA-N -1 0 438.505 3.769 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cc(C)ccn3)c2C)C1=O ZINC000409237521 557019124 /nfs/dbraw/zinc/01/91/24/557019124.db2.gz UZPOKFMLUFOHPN-XMHGGMMESA-N -1 0 444.491 3.863 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000409392148 557096412 /nfs/dbraw/zinc/09/64/12/557096412.db2.gz LMYYGVNSKFYHOC-DEDYPNTBSA-N -1 0 440.434 3.890 40 10 IHCBRM Cn1c2ccccc2c([O-])c(C(=O)C[C@H](Nc2cccc(N)c2)c2ccccc2O)c1=O ZINC000104827612 557328688 /nfs/dbraw/zinc/32/86/88/557328688.db2.gz PWCLXBPWHBOFQQ-IBGZPJMESA-N -1 0 429.476 3.958 40 10 IHCBRM O=C([O-])c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1O ZINC000033539808 557409434 /nfs/dbraw/zinc/40/94/34/557409434.db2.gz OSZBSJXLNJYIRY-GZTJUZNOSA-N -1 0 442.518 3.711 40 10 IHCBRM Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000013831234 563011144 /nfs/dbraw/zinc/01/11/44/563011144.db2.gz MHSMKEQLFFWYOS-UHFFFAOYSA-N -1 0 428.853 3.688 40 10 in-vitro IHCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3I)C2=O)c1C ZINC000107707392 569250966 /nfs/dbraw/zinc/25/09/66/569250966.db2.gz JYMICURZMALQOO-GXDHUFHOSA-N -1 0 446.244 3.574 40 10 IHCBRM CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000034909863 569260054 /nfs/dbraw/zinc/26/00/54/569260054.db2.gz MYYHCNVLYOWRAP-ZENNRRHLSA-N -1 0 449.290 3.785 40 10 IHCBRM Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000109637207 569261093 /nfs/dbraw/zinc/26/10/93/569261093.db2.gz CYRPKDNUEKZROW-ZHZULCJRSA-N -1 0 443.415 3.584 40 10 IHCBRM CCc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000408527870 555718159 /nfs/dbraw/zinc/71/81/59/555718159.db2.gz GQDJUDPNUNMHCZ-QGOAFFKASA-N -1 0 430.420 3.889 40 10 IHCBRM Cc1ccc(COc2cccc(/C=C3\SC(=S)N(CCS(=O)(=O)[O-])C3=O)c2)cc1 ZINC000008821302 556222463 /nfs/dbraw/zinc/22/24/63/556222463.db2.gz NQDIOVSTZDZFEU-PDGQHHTCSA-N -1 0 449.575 3.663 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC ZINC000016688302 556626317 /nfs/dbraw/zinc/62/63/17/556626317.db2.gz QEGLUIXLVBUNFZ-RIYZIHGNSA-N -1 0 434.876 3.718 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccnc1 ZINC000408784909 556855494 /nfs/dbraw/zinc/85/54/94/556855494.db2.gz WMALXGJRHLLPNH-UDWIEESQSA-N -1 0 430.533 3.937 40 10 IHCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl ZINC000408805168 556860380 /nfs/dbraw/zinc/86/03/80/556860380.db2.gz JBWZFZMZYRNUBH-LFIBNONCSA-N -1 0 442.855 3.582 40 10 IHCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408870695 556874598 /nfs/dbraw/zinc/87/45/98/556874598.db2.gz WLFWKDNJAKYVFN-CXUHLZMHSA-N -1 0 429.270 3.741 40 10 IHCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(N(C)C)cc3)C2=O)c1C ZINC000408951632 556898239 /nfs/dbraw/zinc/89/82/39/556898239.db2.gz JHZGQKCMJOHCDN-RCCKNPSSSA-N -1 0 428.492 3.827 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)[N-]C2=S)cc1 ZINC000408961627 556901065 /nfs/dbraw/zinc/90/10/65/556901065.db2.gz UDZBOTXUIFDHSW-RCCKNPSSSA-N -1 0 435.549 3.825 40 10 IHCBRM Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409002310 556914734 /nfs/dbraw/zinc/91/47/34/556914734.db2.gz SXOUYYMQWUVQDZ-FYJGNVAPSA-N -1 0 443.507 3.744 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cn4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409017448 556919341 /nfs/dbraw/zinc/91/93/41/556919341.db2.gz WRRIWJAZJYILGG-UDWIEESQSA-N -1 0 446.532 3.637 40 10 IHCBRM CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)OCO2 ZINC000409099267 556954342 /nfs/dbraw/zinc/95/43/42/556954342.db2.gz KQQCKPAWJQJICA-XGICHPGQSA-N -1 0 449.246 3.787 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCC)C(=O)[N-]C2=S)cc1 ZINC000409105497 556958582 /nfs/dbraw/zinc/95/85/82/556958582.db2.gz IANVQQGOSFLHLU-SFQUDFHCSA-N -1 0 430.913 3.969 40 10 IHCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCC)c3)C2=O)cc1OC ZINC000409131576 556963365 /nfs/dbraw/zinc/96/33/65/556963365.db2.gz YHMCUUACUKOYBA-UYRXBGFRSA-N -1 0 438.480 3.545 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1Br ZINC000409221519 557016792 /nfs/dbraw/zinc/01/67/92/557016792.db2.gz RLMMATOVHCQODL-GXDHUFHOSA-N -1 0 445.338 3.988 40 10 IHCBRM COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000102729410 557306469 /nfs/dbraw/zinc/30/64/69/557306469.db2.gz CBWLVBBBDRALLC-PTNGSMBKSA-N -1 0 432.523 3.801 40 10 IHCBRM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O ZINC000256055297 568663382 /nfs/dbraw/zinc/66/33/82/568663382.db2.gz BACYDHHSAVXNES-SXGWCWSVSA-N -1 0 426.475 3.986 40 10 IHCBRM O=C([O-])c1cccc(Cn2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000033696070 569259674 /nfs/dbraw/zinc/25/96/74/569259674.db2.gz LWHKSYHVXUYEKK-HMAPJEAMSA-N -1 0 437.455 3.849 40 10 IHCBRM CCOc1cc(OCC)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000107684136 569260522 /nfs/dbraw/zinc/26/05/22/569260522.db2.gz AGKCLWFADZGGKI-GDNBJRDFSA-N -1 0 431.286 3.708 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000107837545 569260670 /nfs/dbraw/zinc/26/06/70/569260670.db2.gz DABHIPAQXBKDLR-MOSHPQCFSA-N -1 0 433.395 3.774 40 10 IHCBRM COc1ccc(NC2=NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)S2)cc1 ZINC000210935238 569261534 /nfs/dbraw/zinc/26/15/34/569261534.db2.gz HSIDYAFHCDGSEH-OTWJJXBCSA-N -1 0 428.466 3.638 40 10 IHCBRM CCCCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408529925 555721241 /nfs/dbraw/zinc/72/12/41/555721241.db2.gz IGPIYSOFTNMFLX-XSFVSMFZSA-N -1 0 435.480 3.839 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3C)C2=O)cc1C ZINC000408530510 555727160 /nfs/dbraw/zinc/72/71/60/555727160.db2.gz IZYYLFJJDWUXCB-MHWRWJLKSA-N -1 0 428.286 3.953 40 10 IHCBRM CCCCCCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC ZINC000408537104 555768609 /nfs/dbraw/zinc/76/86/09/555768609.db2.gz CDGBEXKSIBJZJC-UHFFFAOYSA-N -1 0 439.306 3.556 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408692396 556095623 /nfs/dbraw/zinc/09/56/23/556095623.db2.gz LPIZZYWOOYZSCF-YBFXNURJSA-N -1 0 436.468 3.715 40 10 IHCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408742520 556216131 /nfs/dbraw/zinc/21/61/31/556216131.db2.gz PMMJMAJGPMOFEC-KGENOOAVSA-N -1 0 443.459 3.547 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)ccc1OC(C)C ZINC000032099496 556528804 /nfs/dbraw/zinc/52/88/04/556528804.db2.gz VIBSRYGUOQNRRX-SXGWCWSVSA-N -1 0 431.286 3.706 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000408771993 556847634 /nfs/dbraw/zinc/84/76/34/556847634.db2.gz JMTJBGLVNFCTSZ-LFIBNONCSA-N -1 0 430.913 3.969 40 10 IHCBRM Cc1c(Br)c(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408843964 556868322 /nfs/dbraw/zinc/86/83/22/556868322.db2.gz HPJCOWUPFCJIAM-NTUHNPAUSA-N -1 0 439.107 3.799 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccccc1Cc1cccc(F)c1 ZINC000408877811 556877131 /nfs/dbraw/zinc/87/71/31/556877131.db2.gz XBXVLBMEBARMGB-FYJGNVAPSA-N -1 0 445.406 3.991 40 10 IHCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(N(C)C)cc3)C2=O)c1 ZINC000408901764 556882755 /nfs/dbraw/zinc/88/27/55/556882755.db2.gz ZUYBOHAZFUGFQA-PXLXIMEGSA-N -1 0 428.492 3.827 40 10 IHCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408897518 556883104 /nfs/dbraw/zinc/88/31/04/556883104.db2.gz XMNGIAWQNOUSOH-UHFFFAOYSA-N -1 0 428.872 3.684 40 10 IHCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccccc4)c3)C2=O)cc1 ZINC000408938662 556897104 /nfs/dbraw/zinc/89/71/04/556897104.db2.gz QWUCICJLQPYMNH-JCMHNJIXSA-N -1 0 428.444 3.941 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 ZINC000408992798 556911190 /nfs/dbraw/zinc/91/11/90/556911190.db2.gz SULDHLJNDFSUTK-FOWTUZBSSA-N -1 0 446.444 3.807 40 10 IHCBRM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1=O ZINC000409020379 556924291 /nfs/dbraw/zinc/92/42/91/556924291.db2.gz OSJHWFWVSKNXHP-BGARDKSCSA-N -1 0 442.493 3.780 40 10 IHCBRM CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409066437 556941826 /nfs/dbraw/zinc/94/18/26/556941826.db2.gz OSGNBRNZFXJEHZ-GDNBJRDFSA-N -1 0 446.912 3.587 40 10 IHCBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000409091501 556951833 /nfs/dbraw/zinc/95/18/33/556951833.db2.gz UVMYCXXTHFHMNQ-LDADJPATSA-N -1 0 449.507 3.587 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000409221482 557016807 /nfs/dbraw/zinc/01/68/07/557016807.db2.gz QWUFKYGJQZXJNP-UDWIEESQSA-N -1 0 440.434 3.890 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cs1 ZINC000409238639 557020161 /nfs/dbraw/zinc/02/01/61/557020161.db2.gz LJDRJBKFMGLNLN-UXBLZVDNSA-N -1 0 427.732 3.995 40 10 IHCBRM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c1OC(C)C ZINC000409232079 557023649 /nfs/dbraw/zinc/02/36/49/557023649.db2.gz NVRDIFXZISAZIT-SDNWHVSQSA-N -1 0 430.913 3.967 40 10 IHCBRM COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409232444 557024488 /nfs/dbraw/zinc/02/44/88/557024488.db2.gz HUKYQBVTXGBPMI-RIYZIHGNSA-N -1 0 430.913 3.805 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 ZINC000409234093 557025217 /nfs/dbraw/zinc/02/52/17/557025217.db2.gz LUIDZOZABWPIPP-OVCLIPMQSA-N -1 0 436.411 3.554 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)/C(=C\c2cc(OC)c(OCC)cc2Cl)C1=O ZINC000409235220 557026091 /nfs/dbraw/zinc/02/60/91/557026091.db2.gz YZBXIJSVOKBOQD-GXDHUFHOSA-N -1 0 444.871 3.812 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccccn3)c2C)C1=O ZINC000409243564 557033482 /nfs/dbraw/zinc/03/34/82/557033482.db2.gz SNRGBBIHKNYCOV-NBVRZTHBSA-N -1 0 430.464 3.554 40 10 IHCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1Br ZINC000409255704 557034745 /nfs/dbraw/zinc/03/47/45/557034745.db2.gz ZLGQWIHMKMGBTP-DGGAMASNSA-N -1 0 444.285 3.688 40 10 IHCBRM O=C([N-]N1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S)c1cccs1 ZINC000409326573 557061257 /nfs/dbraw/zinc/06/12/57/557061257.db2.gz CGGOSCJNWWHSJY-GHXNOFRVSA-N -1 0 425.900 3.856 40 10 IHCBRM CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 ZINC000208447852 557087616 /nfs/dbraw/zinc/08/76/16/557087616.db2.gz BMCKPHFLTPYMPK-VCHYOVAHSA-N -1 0 445.475 3.713 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC(C)C ZINC000409394264 557098484 /nfs/dbraw/zinc/09/84/84/557098484.db2.gz XXQGWUFDPSDMJA-OQLLNIDSSA-N -1 0 429.860 3.587 40 10 IHCBRM Cc1ccc(COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000409401316 557102013 /nfs/dbraw/zinc/10/20/13/557102013.db2.gz WUIXHFPAJAOHSJ-STZFKDTASA-N -1 0 429.432 3.944 40 10 IHCBRM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)o1 ZINC000113835503 557307588 /nfs/dbraw/zinc/30/75/88/557307588.db2.gz RDOYDWBZWLWTEC-LDADJPATSA-N -1 0 447.403 3.838 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1Br ZINC000014132805 557421566 /nfs/dbraw/zinc/42/15/66/557421566.db2.gz RCAKTVZAFAEULU-GXDHUFHOSA-N -1 0 429.270 3.823 40 10 IHCBRM CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)c2ccccc21 ZINC000059594597 557824294 /nfs/dbraw/zinc/82/42/94/557824294.db2.gz LHQJJVHUGLTHFF-GZTJUZNOSA-N -1 0 435.505 3.510 40 10 IHCBRM CCOc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)[N-]C2=S)c1 ZINC000006573625 568792173 /nfs/dbraw/zinc/79/21/73/568792173.db2.gz HIPUDYGQZZZNGL-YBEGLDIGSA-N -1 0 431.311 3.679 40 10 IHCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OC)C(=O)[N-]C2=S)cc1 ZINC000108218382 569252747 /nfs/dbraw/zinc/25/27/47/569252747.db2.gz NKYYTSZTTMWPIC-LFIBNONCSA-N -1 0 445.338 3.851 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(F)cc1 ZINC000108243812 569260915 /nfs/dbraw/zinc/26/09/15/569260915.db2.gz CRPYKVLUIWUJFP-UYRXBGFRSA-N -1 0 433.395 3.774 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1cccc(F)c1 ZINC000108243801 569260942 /nfs/dbraw/zinc/26/09/42/569260942.db2.gz FAWAYCFPVGODGP-UYRXBGFRSA-N -1 0 433.395 3.774 40 10 IHCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 ZINC000009259599 132311467 /nfs/dbraw/zinc/31/14/67/132311467.db2.gz RTSUGJRFLFDVKI-LICLKQGHSA-N -1 0 427.888 3.867 40 10 IHCBRM CCC(C)(C)C1CCc2c(sc(NC(=O)C3C4CCC(O4)C3C(=O)[O-])c2C(=O)OC)C1 ZINC000020568745 521365846 /nfs/dbraw/zinc/36/58/46/521365846.db2.gz DIMFTUHFTPGNFD-DRKJYEEOSA-N -1 0 449.569 3.893 40 10 IHCBRM COc1cccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)c1OC ZINC000001239283 555687163 /nfs/dbraw/zinc/68/71/63/555687163.db2.gz WEXVYISECLIUJO-YHZJOHHESA-N -1 0 429.519 3.601 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408692056 556094581 /nfs/dbraw/zinc/09/45/81/556094581.db2.gz CJNIFXIWVKGQSO-XDHOZWIPSA-N -1 0 438.455 3.818 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408739398 556210375 /nfs/dbraw/zinc/21/03/75/556210375.db2.gz BKRKNNRHXVJLDV-PXLXIMEGSA-N -1 0 428.492 3.827 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000009188367 556250740 /nfs/dbraw/zinc/25/07/40/556250740.db2.gz TZFFBYCJYDHNBN-WQRHYEAKSA-N -1 0 444.534 3.630 40 10 IHCBRM CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cccc(C(=O)[O-])c1 ZINC000016160818 556586086 /nfs/dbraw/zinc/58/60/86/556586086.db2.gz CIGCNXBEBMGXJY-YBEGLDIGSA-N -1 0 447.232 3.708 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 ZINC000408785696 556855856 /nfs/dbraw/zinc/85/58/56/556855856.db2.gz YGQYWBGCFFTOFN-XDHOZWIPSA-N -1 0 444.403 3.757 40 10 IHCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408805488 556860754 /nfs/dbraw/zinc/86/07/54/556860754.db2.gz KQWPFVCHUBFBMD-UHFFFAOYSA-N -1 0 430.460 3.875 40 10 IHCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408809166 556861809 /nfs/dbraw/zinc/86/18/09/556861809.db2.gz QVVQASFRRDUHPH-MHWRWJLKSA-N -1 0 444.871 3.900 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N1 ZINC000408816631 556863595 /nfs/dbraw/zinc/86/35/95/556863595.db2.gz ZAKQMGHEVJZRJK-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Br ZINC000408866405 556873570 /nfs/dbraw/zinc/87/35/70/556873570.db2.gz HFDCEQBDHQKRSU-XFXZXTDPSA-N -1 0 433.233 3.653 40 10 IHCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(I)c1[O-] ZINC000408904166 556883714 /nfs/dbraw/zinc/88/37/14/556883714.db2.gz FUHYUFVQRUIMDV-RIYZIHGNSA-N -1 0 449.204 3.711 40 10 IHCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408908379 556886781 /nfs/dbraw/zinc/88/67/81/556886781.db2.gz BZPZLHSAYSEDSF-JAIQZWGSSA-N -1 0 448.410 3.808 40 10 IHCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000408952716 556898698 /nfs/dbraw/zinc/89/86/98/556898698.db2.gz MHNFIZUUPOTZPD-CJLVFECKSA-N -1 0 428.492 3.772 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc12 ZINC000408955979 556900061 /nfs/dbraw/zinc/90/00/61/556900061.db2.gz VKYDESPSHDKQCO-WOJGMQOQSA-N -1 0 430.416 3.634 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000408967208 556903196 /nfs/dbraw/zinc/90/31/96/556903196.db2.gz QSNYEMCEIZEFSK-RMKNXTFCSA-N -1 0 429.654 3.666 40 10 IHCBRM COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409041139 556928146 /nfs/dbraw/zinc/92/81/46/556928146.db2.gz IMVRWTMZSYIMPX-NTUHNPAUSA-N -1 0 436.207 3.577 40 10 IHCBRM COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409048589 556931816 /nfs/dbraw/zinc/93/18/16/556931816.db2.gz SKIRBSZMCOWSOZ-WUXMJOGZSA-N -1 0 436.207 3.577 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)ccc1OC ZINC000409094225 556949790 /nfs/dbraw/zinc/94/97/90/556949790.db2.gz CFWXXXWKQZWJMB-GXDHUFHOSA-N -1 0 430.913 3.887 40 10 IHCBRM CC[C@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409095147 556950295 /nfs/dbraw/zinc/95/02/95/556950295.db2.gz GYCQPNOILMNDLI-IQGJIOQQSA-N -1 0 440.521 3.712 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC ZINC000409141529 556972585 /nfs/dbraw/zinc/97/25/85/556972585.db2.gz IHIHOGSZDJMPRT-RIYZIHGNSA-N -1 0 430.913 3.805 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409196949 556994733 /nfs/dbraw/zinc/99/47/33/556994733.db2.gz SZUMJPKGWWBBLW-GDNBJRDFSA-N -1 0 429.816 3.913 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409205009 557003434 /nfs/dbraw/zinc/00/34/34/557003434.db2.gz FGAXVTLJWIJGFF-GDNBJRDFSA-N -1 0 429.816 3.913 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409221885 557017166 /nfs/dbraw/zinc/01/71/66/557017166.db2.gz VOIOLPDOSUXBGZ-LDADJPATSA-N -1 0 436.924 3.974 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409244708 557026703 /nfs/dbraw/zinc/02/67/03/557026703.db2.gz HPEVJXREYWDNRM-LGMDPLHJSA-N -1 0 447.403 3.920 40 10 IHCBRM CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102708052 557133117 /nfs/dbraw/zinc/13/31/17/557133117.db2.gz SIFVCQCQAKWGQN-XPWALMASSA-N -1 0 431.467 3.943 40 10 IHCBRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000223311280 557457930 /nfs/dbraw/zinc/45/79/30/557457930.db2.gz HPWTWKZNOGUGJC-UHFFFAOYSA-N -1 0 435.958 3.943 40 10 IHCBRM COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1cccc(C)c1 ZINC000059167736 557817370 /nfs/dbraw/zinc/81/73/70/557817370.db2.gz IURKVHXDSOOXMQ-VCHYOVAHSA-N -1 0 429.519 3.868 40 10 IHCBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2[N+](=O)[O-])c1 ZINC000033732729 569259717 /nfs/dbraw/zinc/25/97/17/569259717.db2.gz BIFAVFVJQVRZTM-MOSHPQCFSA-N -1 0 429.432 3.944 40 10 IHCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000008780904 569290494 /nfs/dbraw/zinc/29/04/94/569290494.db2.gz UMQFWOVJBXSSJV-MHWRWJLKSA-N -1 0 438.281 3.916 40 10 IHCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2C)c1C ZINC000408692924 556092842 /nfs/dbraw/zinc/09/28/42/556092842.db2.gz YMXSOWMGUXOVOB-DEDYPNTBSA-N -1 0 449.507 3.594 40 10 IHCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408741803 556215271 /nfs/dbraw/zinc/21/52/71/556215271.db2.gz SATVEJAKXAIQCX-PXLXIMEGSA-N -1 0 428.444 3.941 40 10 IHCBRM CCCCc1ccc(NC2=NC(=O)C(=C3c4ccccc4N(CC(=O)[O-])C3=O)S2)cc1 ZINC000008821917 556223949 /nfs/dbraw/zinc/22/39/49/556223949.db2.gz MAYDXDMHHLDUAN-VXPUYCOJSA-N -1 0 435.505 3.913 40 10 IHCBRM COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000037342272 556601656 /nfs/dbraw/zinc/60/16/56/556601656.db2.gz CASHYUSWRDDTCR-RIYZIHGNSA-N -1 0 433.423 3.623 40 10 IHCBRM COc1cccc([C@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c1O ZINC000101047505 556652644 /nfs/dbraw/zinc/65/26/44/556652644.db2.gz TWGRPKZELCYRLM-GIWBLDEGSA-N -1 0 430.460 3.760 40 10 IHCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2)c1 ZINC000408799943 556857818 /nfs/dbraw/zinc/85/78/18/556857818.db2.gz JPGMWPBISHCHIY-HYARGMPZSA-N -1 0 428.444 3.946 40 10 IHCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 ZINC000408815629 556863198 /nfs/dbraw/zinc/86/31/98/556863198.db2.gz XLHIAEVMMIVLEP-MHWRWJLKSA-N -1 0 442.855 3.580 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000408852522 556869687 /nfs/dbraw/zinc/86/96/87/556869687.db2.gz GZDBRJRGZYNTDV-QGOAFFKASA-N -1 0 436.265 3.906 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C(=O)[N-]C2=S)cc1 ZINC000408848751 556870441 /nfs/dbraw/zinc/87/04/41/556870441.db2.gz TTYJEMHNWLFTMQ-RCCKNPSSSA-N -1 0 447.516 3.716 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c(Cc2ccccc2F)c1 ZINC000408866667 556873623 /nfs/dbraw/zinc/87/36/23/556873623.db2.gz HTHUBJPCBXSVSC-KGENOOAVSA-N -1 0 446.434 3.797 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OC ZINC000408869452 556874518 /nfs/dbraw/zinc/87/45/18/556874518.db2.gz SEJOSKUYOJGKMG-GDNBJRDFSA-N -1 0 428.872 3.976 40 10 IHCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408878110 556877189 /nfs/dbraw/zinc/87/71/89/556877189.db2.gz ZUXSOHUISBXBBR-CXUHLZMHSA-N -1 0 429.270 3.741 40 10 IHCBRM CCOc1cc(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408880704 556878169 /nfs/dbraw/zinc/87/81/69/556878169.db2.gz GWSOIZDUKIDZMF-ZROIWOOFSA-N -1 0 433.233 3.653 40 10 IHCBRM CCOc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1C(C)C ZINC000408950403 556898070 /nfs/dbraw/zinc/89/80/70/556898070.db2.gz JVURIGJYWXYPFM-VCHYOVAHSA-N -1 0 436.464 3.912 40 10 IHCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)c1 ZINC000408960842 556899903 /nfs/dbraw/zinc/89/99/03/556899903.db2.gz OQRJJZABZWFGTH-RCCKNPSSSA-N -1 0 435.549 3.907 40 10 IHCBRM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1C ZINC000409108967 556959942 /nfs/dbraw/zinc/95/99/42/556959942.db2.gz YZHNIQZXRFLVLR-MHWRWJLKSA-N -1 0 430.302 3.862 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]C1=S ZINC000409172260 556984005 /nfs/dbraw/zinc/98/40/05/556984005.db2.gz FMAAGFDODPVHHK-VBKFSLOCSA-N -1 0 449.444 3.695 40 10 IHCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2cc(C)ccc2C)C1=O ZINC000409226277 557014365 /nfs/dbraw/zinc/01/43/65/557014365.db2.gz MPPDXLRINUWVHJ-XNTDXEJSSA-N -1 0 445.338 3.906 40 10 IHCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409220639 557016212 /nfs/dbraw/zinc/01/62/12/557016212.db2.gz CODRHBARRQKTHD-NTEUORMPSA-N -1 0 430.913 3.887 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC ZINC000409235079 557026140 /nfs/dbraw/zinc/02/61/40/557026140.db2.gz YNTYUGAPRKJHID-YRNVUSSQSA-N -1 0 437.304 3.842 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409250048 557030439 /nfs/dbraw/zinc/03/04/39/557030439.db2.gz MEGDBGILBOWHAZ-SSZFMOIBSA-N -1 0 447.403 3.920 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409244378 557034163 /nfs/dbraw/zinc/03/41/63/557034163.db2.gz BRGOUZRVORSENB-OQLLNIDSSA-N -1 0 430.913 3.887 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000409251709 557036951 /nfs/dbraw/zinc/03/69/51/557036951.db2.gz VUSQQLTZOSENGC-MHWRWJLKSA-N -1 0 438.237 3.771 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCC(=O)[O-])SC2=S)cc1 ZINC000409327277 557061711 /nfs/dbraw/zinc/06/17/11/557061711.db2.gz IUIMSBLAZGJSGA-YBEGLDIGSA-N -1 0 431.491 3.573 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409373437 557089943 /nfs/dbraw/zinc/08/99/43/557089943.db2.gz SQCYAWQZHXREQY-UDWIEESQSA-N -1 0 446.459 3.838 40 10 IHCBRM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C ZINC000112292887 557239296 /nfs/dbraw/zinc/23/92/96/557239296.db2.gz ZFXCQGYJLFFHHG-STZFKDTASA-N -1 0 438.440 3.564 40 10 IHCBRM CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3[O-])o2)C(=O)N(c2ccccc2)C1=O ZINC000059138909 557816471 /nfs/dbraw/zinc/81/64/71/557816471.db2.gz NLINYHIFAQBTKY-SFQUDFHCSA-N -1 0 433.376 3.569 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000059535676 557827387 /nfs/dbraw/zinc/82/73/87/557827387.db2.gz OJPAPGKCYUQAAS-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)ccc1OCCc1ccccc1 ZINC000001281949 568776274 /nfs/dbraw/zinc/77/62/74/568776274.db2.gz KZEKNXVPDCACAT-RMENWYJGSA-N -1 0 443.546 3.991 40 10 IHCBRM COc1ccccc1Oc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000107924655 569251615 /nfs/dbraw/zinc/25/16/15/569251615.db2.gz YXPQTCMFEUFVSO-AQTBWJFISA-N -1 0 433.420 3.655 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000033654930 569259411 /nfs/dbraw/zinc/25/94/11/569259411.db2.gz PDQNPOOMOKKDEA-MOSHPQCFSA-N -1 0 430.460 3.744 40 10 IHCBRM C#CCOc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000034696598 569259932 /nfs/dbraw/zinc/25/99/32/569259932.db2.gz FRKZCIOZJSYAHM-ZROIWOOFSA-N -1 0 431.673 3.576 40 10 IHCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000034848963 569260102 /nfs/dbraw/zinc/26/01/02/569260102.db2.gz OAKKTBFCQIKSRO-UYRXBGFRSA-N -1 0 447.878 3.819 40 10 IHCBRM COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)C ZINC000108241629 569260937 /nfs/dbraw/zinc/26/09/37/569260937.db2.gz OTEGGXNQBPXYIE-YBEGLDIGSA-N -1 0 431.286 3.706 40 10 IHCBRM CC(C)[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)N1C(=O)/C(=C/c2ccco2)SC1=S ZINC000033539366 519809953 /nfs/dbraw/zinc/80/99/53/519809953.db2.gz FXIMEMWEGNVUPI-QOBZYLRHSA-N -1 0 446.506 3.548 40 10 IHCBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408528991 555722247 /nfs/dbraw/zinc/72/22/47/555722247.db2.gz GPSNIGQOQNCIEO-DEDYPNTBSA-N -1 0 443.507 3.993 40 10 IHCBRM CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870198 556229348 /nfs/dbraw/zinc/22/93/48/556229348.db2.gz SKMDNRTXDZVRRV-ZZANYTRBSA-N -1 0 446.594 3.840 40 10 IHCBRM Cc1cccc(N2C(=O)/C(=C3\c4ccccc4N([C@@H](C)C(=O)[O-])C3=O)SC2=S)c1C ZINC000008925872 556234024 /nfs/dbraw/zinc/23/40/24/556234024.db2.gz HRJUQRHIRUATLG-FKEVTRRJSA-N -1 0 438.530 3.899 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000009188493 556251130 /nfs/dbraw/zinc/25/11/30/556251130.db2.gz NYVBRGGEEJKEEF-WQRHYEAKSA-N -1 0 445.518 3.963 40 10 IHCBRM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000016226534 556592703 /nfs/dbraw/zinc/59/27/03/556592703.db2.gz BVMSVNFEUJFVHF-NTUHNPAUSA-N -1 0 446.213 3.873 40 10 IHCBRM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 ZINC000016431454 556607517 /nfs/dbraw/zinc/60/75/17/556607517.db2.gz QIVISPXZKSCYQY-SXGWCWSVSA-N -1 0 438.798 3.871 40 10 IHCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)cc1 ZINC000408758185 556846291 /nfs/dbraw/zinc/84/62/91/556846291.db2.gz WOKIYTSIOCBDBQ-BKUYFWCQSA-N -1 0 444.491 3.781 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OC ZINC000408805780 556860771 /nfs/dbraw/zinc/86/07/71/556860771.db2.gz LNWORSBMRASQKD-NTEUORMPSA-N -1 0 445.269 3.523 40 10 IHCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)C)C2=O)c(OC)cc1Cl ZINC000408836060 556866939 /nfs/dbraw/zinc/86/69/39/556866939.db2.gz PQNHWUXHIGZWRK-NTEUORMPSA-N -1 0 444.871 3.811 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)cc1 ZINC000408845100 556868664 /nfs/dbraw/zinc/86/86/64/556868664.db2.gz JZMRNXUPDJIFPG-XNTDXEJSSA-N -1 0 444.285 3.617 40 10 IHCBRM CCOc1cc(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000408865122 556873303 /nfs/dbraw/zinc/87/33/03/556873303.db2.gz BQXACZJQAIZNHB-YBEGLDIGSA-N -1 0 431.311 3.679 40 10 IHCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(OC)c2)C1=O ZINC000408879233 556876141 /nfs/dbraw/zinc/87/61/41/556876141.db2.gz BLTDIKZRPFQYKE-YBEGLDIGSA-N -1 0 429.270 3.687 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1 ZINC000408886017 556878257 /nfs/dbraw/zinc/87/82/57/556878257.db2.gz CSVAEWUWQKDISL-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408947213 556898377 /nfs/dbraw/zinc/89/83/77/556898377.db2.gz BGJORDDETSSPDG-LDADJPATSA-N -1 0 430.416 3.634 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c(OCC)c1 ZINC000408961427 556900921 /nfs/dbraw/zinc/90/09/21/556900921.db2.gz SUOGJRJJASYOAC-HMMYKYKNSA-N -1 0 449.507 3.751 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000408967965 556903599 /nfs/dbraw/zinc/90/35/99/556903599.db2.gz WDBGYWXOFZBHRJ-SDNWHVSQSA-N -1 0 433.892 3.894 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)C(=O)N1 ZINC000409046040 556930542 /nfs/dbraw/zinc/93/05/42/556930542.db2.gz IGOYRTILRGJDLC-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1OC ZINC000409075994 556943815 /nfs/dbraw/zinc/94/38/15/556943815.db2.gz WDGQGPXRURIMTM-JLHYYAGUSA-N -1 0 446.912 3.506 40 10 IHCBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 ZINC000409095921 556953147 /nfs/dbraw/zinc/95/31/47/556953147.db2.gz DXAFERCZOODFKW-RQZCQDPDSA-N -1 0 429.450 3.941 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[N-]C1=S ZINC000409172723 556984271 /nfs/dbraw/zinc/98/42/71/556984271.db2.gz HDPKXAQSYIATKG-QINSGFPZSA-N -1 0 449.444 3.695 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1OC ZINC000409174967 556985183 /nfs/dbraw/zinc/98/51/83/556985183.db2.gz WZLQZPLBCWPOKD-UKTHLTGXSA-N -1 0 446.912 3.587 40 10 IHCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409210510 557005079 /nfs/dbraw/zinc/00/50/79/557005079.db2.gz JFRKHVHIYSAOBL-VCHYOVAHSA-N -1 0 442.493 3.780 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OC ZINC000409228580 557015352 /nfs/dbraw/zinc/01/53/52/557015352.db2.gz ZMBCZIRYXUEYND-VGOFMYFVSA-N -1 0 446.912 3.506 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1N1CCOCC1 ZINC000409238685 557020027 /nfs/dbraw/zinc/02/00/27/557020027.db2.gz FHPQYMMRSNPOQM-RCCKNPSSSA-N -1 0 449.576 3.786 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(Cl)cc1OC ZINC000409235433 557026444 /nfs/dbraw/zinc/02/64/44/557026444.db2.gz PXGVVVSJBNBYIV-NTEUORMPSA-N -1 0 430.913 3.887 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000409393950 557098177 /nfs/dbraw/zinc/09/81/77/557098177.db2.gz TZYJCEUTTZSOPE-SFQUDFHCSA-N -1 0 426.354 3.558 40 10 IHCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1Br ZINC000409389448 557100667 /nfs/dbraw/zinc/10/06/67/557100667.db2.gz BBMWMGZKVVAJEF-XBUHWIKASA-N -1 0 444.285 3.688 40 10 IHCBRM CCOC(=O)c1ccc(N=C(C)c2c(CC(=O)OC)[n-]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000112292126 557239272 /nfs/dbraw/zinc/23/92/72/557239272.db2.gz ZTLKADJIZMOROF-STZFKDTASA-N -1 0 439.443 3.654 40 10 IHCBRM Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000059138759 557816307 /nfs/dbraw/zinc/81/63/07/557816307.db2.gz HHRNGPHJXYSHDA-KGENOOAVSA-N -1 0 443.459 3.801 40 10 IHCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000033731553 569259815 /nfs/dbraw/zinc/25/98/15/569259815.db2.gz JUVSRPICDNXDBJ-STZFKDTASA-N -1 0 447.878 3.819 40 10 IHCBRM CCOc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC ZINC000035131182 569260169 /nfs/dbraw/zinc/26/01/69/569260169.db2.gz HRQKQBRDQIGIPL-GDNBJRDFSA-N -1 0 431.286 3.708 40 10 IHCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000205705052 569261041 /nfs/dbraw/zinc/26/10/41/569261041.db2.gz VAYKQCBTXGBLJL-VCHYOVAHSA-N -1 0 442.493 3.780 40 10 IHCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)o2)cc1 ZINC000009323774 132313816 /nfs/dbraw/zinc/31/38/16/132313816.db2.gz VVYCUZQBXBBDRN-QGOAFFKASA-N -1 0 446.484 3.873 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)C(=O)[N-]C2=S)cc1 ZINC000001163548 536659278 /nfs/dbraw/zinc/65/92/78/536659278.db2.gz ISWUVZPVTXIHHQ-ZHZULCJRSA-N -1 0 431.517 3.934 40 10 IHCBRM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000408531444 555732465 /nfs/dbraw/zinc/73/24/65/555732465.db2.gz KNRQMVQHWJAGRP-MHWRWJLKSA-N -1 0 426.860 3.554 40 10 IHCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408532332 555741421 /nfs/dbraw/zinc/74/14/21/555741421.db2.gz MIXUOBWNWWRQDT-JLHYYAGUSA-N -1 0 447.278 3.844 40 10 IHCBRM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408535359 555762307 /nfs/dbraw/zinc/76/23/07/555762307.db2.gz SLBQGCUICWRADT-XNTDXEJSSA-N -1 0 428.286 3.953 40 10 IHCBRM Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000035225830 556021483 /nfs/dbraw/zinc/02/14/83/556021483.db2.gz GGLITICOLZBOMO-CXUHLZMHSA-N -1 0 437.427 3.970 40 10 IHCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2C)c1 ZINC000408692935 556092741 /nfs/dbraw/zinc/09/27/41/556092741.db2.gz YVJMHMYGBNTUDT-KGENOOAVSA-N -1 0 449.507 3.675 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1 ZINC000016399884 556605279 /nfs/dbraw/zinc/60/52/79/556605279.db2.gz WBOQXWCRSDDLEH-UHFFFAOYSA-N -1 0 446.213 3.526 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC ZINC000016688304 556626350 /nfs/dbraw/zinc/62/63/50/556626350.db2.gz UOCUEXFHPHRGBH-VGOFMYFVSA-N -1 0 434.876 3.718 40 10 IHCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408800114 556858112 /nfs/dbraw/zinc/85/81/12/556858112.db2.gz KQEMFAVCJGSVLM-RCCKNPSSSA-N -1 0 428.444 3.941 40 10 IHCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000408802878 556859726 /nfs/dbraw/zinc/85/97/26/556859726.db2.gz IRERSWCPLXMEGR-XNTDXEJSSA-N -1 0 445.269 3.610 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000408804415 556860300 /nfs/dbraw/zinc/86/03/00/556860300.db2.gz FSELDOXZLIHKAW-FYJGNVAPSA-N -1 0 444.443 3.646 40 10 IHCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC)ccc4ccccc43)C2=O)cc1 ZINC000408817328 556864168 /nfs/dbraw/zinc/86/41/68/556864168.db2.gz SYSTUSYKSFWQRN-XSFVSMFZSA-N -1 0 444.443 3.692 40 10 IHCBRM CCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408883686 556877522 /nfs/dbraw/zinc/87/75/22/556877522.db2.gz VKXKHZKZNUVEST-UVTDQMKNSA-N -1 0 431.311 3.679 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC(C)C)C2=O)cc1 ZINC000408893411 556881828 /nfs/dbraw/zinc/88/18/28/556881828.db2.gz AEQXTRZBSRPOOC-MOSHPQCFSA-N -1 0 438.480 3.938 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1O ZINC000408901290 556882490 /nfs/dbraw/zinc/88/24/90/556882490.db2.gz WVWKWPAIKRRTGV-ZROIWOOFSA-N -1 0 445.269 3.528 40 10 IHCBRM Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c1 ZINC000408953191 556897711 /nfs/dbraw/zinc/89/77/11/556897711.db2.gz OSUSWZUTSWWQQN-RCCKNPSSSA-N -1 0 430.533 3.683 40 10 IHCBRM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1 ZINC000408948749 556898718 /nfs/dbraw/zinc/89/87/18/556898718.db2.gz GGUHFMDVEXIHAP-WOJGMQOQSA-N -1 0 444.399 3.544 40 10 IHCBRM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000408955703 556899229 /nfs/dbraw/zinc/89/92/29/556899229.db2.gz YQHIMDBUSXEFNN-KGENOOAVSA-N -1 0 431.517 3.934 40 10 IHCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408965497 556902479 /nfs/dbraw/zinc/90/24/79/556902479.db2.gz HZYXKPJSBOZNGP-YRNVUSSQSA-N -1 0 427.732 3.995 40 10 IHCBRM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000409020008 556924324 /nfs/dbraw/zinc/92/43/24/556924324.db2.gz LMDYRVUSUDNART-RQZCQDPDSA-N -1 0 449.850 3.834 40 10 IHCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1 ZINC000409102398 556956387 /nfs/dbraw/zinc/95/63/87/556956387.db2.gz ZHRTVGXDWILTSZ-CPNJWEJPSA-N -1 0 449.507 3.533 40 10 IHCBRM CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)[O-] ZINC000409195409 556993910 /nfs/dbraw/zinc/99/39/10/556993910.db2.gz PSDYENDMAQDBEM-LICLKQGHSA-N -1 0 432.523 3.504 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccnc1 ZINC000409221146 557016525 /nfs/dbraw/zinc/01/65/25/557016525.db2.gz LOMYQSJFXNPKTR-GZTJUZNOSA-N -1 0 436.924 3.974 40 10 IHCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000409223282 557017622 /nfs/dbraw/zinc/01/76/22/557017622.db2.gz FDBSBAZRLAQUIR-RVDMUPIBSA-N -1 0 435.427 3.730 40 10 IHCBRM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000409239343 557020735 /nfs/dbraw/zinc/02/07/35/557020735.db2.gz PMEZQRHWDCJMNZ-OQLLNIDSSA-N -1 0 436.411 3.554 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409232456 557024290 /nfs/dbraw/zinc/02/42/90/557024290.db2.gz HXYQVYVXPDTMAX-DEDYPNTBSA-N -1 0 430.533 3.937 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409245923 557027666 /nfs/dbraw/zinc/02/76/66/557027666.db2.gz AYHXCSCVDCEUMN-RIYZIHGNSA-N -1 0 436.411 3.554 40 10 IHCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)[O-] ZINC000016915652 557475920 /nfs/dbraw/zinc/47/59/20/557475920.db2.gz KEUHDLHVXQADMK-WOJGMQOQSA-N -1 0 445.518 3.963 40 10 IHCBRM COc1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000059416949 557822882 /nfs/dbraw/zinc/82/28/82/557822882.db2.gz WUVXDRDUPAMHBN-YBFXNURJSA-N -1 0 433.420 3.942 40 10 IHCBRM CC(C)OC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000033751465 569259801 /nfs/dbraw/zinc/25/98/01/569259801.db2.gz UJXLGXHBXSBHEX-NVNXTCNLSA-N -1 0 449.290 3.785 40 10 IHCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)c1 ZINC000009260126 132311405 /nfs/dbraw/zinc/31/14/05/132311405.db2.gz KPSTXVZYZLEHIJ-FRKPEAEDSA-N -1 0 440.253 3.605 40 10 IHCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OC(=O)c2ccccc2)C1=O ZINC000408535929 555757146 /nfs/dbraw/zinc/75/71/46/555757146.db2.gz PDJOARQHVYAODT-CYVLTUHYSA-N -1 0 426.428 3.881 40 10 IHCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3F)C2=O)ccc1Br ZINC000408535630 555764462 /nfs/dbraw/zinc/76/44/62/555764462.db2.gz UBUMMTPVHCOXOQ-XYOKQWHBSA-N -1 0 436.212 3.615 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccc(N2CCCC2)c1 ZINC000408553106 555881779 /nfs/dbraw/zinc/88/17/79/555881779.db2.gz XJIFFJMSSYVIMY-VBKFSLOCSA-N -1 0 444.919 3.823 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408692389 556095590 /nfs/dbraw/zinc/09/55/90/556095590.db2.gz LLBFXGIZNGZMEW-XDHOZWIPSA-N -1 0 438.455 3.818 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)cc1 ZINC000009263187 556270085 /nfs/dbraw/zinc/27/00/85/556270085.db2.gz IZHGERQOEQNNMD-AQTBWJFISA-N -1 0 439.512 3.656 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000016292297 556598102 /nfs/dbraw/zinc/59/81/02/556598102.db2.gz OAHYMESOUMYWEA-ZDLGFXPLSA-N -1 0 429.519 3.868 40 10 IHCBRM CCOc1c(C=C2C(=O)[N-]C(=O)NC2=O)cccc1OCc1ccc(Cl)cc1Cl ZINC000006600254 556837715 /nfs/dbraw/zinc/83/77/15/556837715.db2.gz JGWZSUSCGKBAJF-UHFFFAOYSA-N -1 0 435.263 3.721 40 10 IHCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000408812801 556862945 /nfs/dbraw/zinc/86/29/45/556862945.db2.gz POTZULPSVBDHAI-RVDMUPIBSA-N -1 0 448.342 3.720 40 10 IHCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC)C1=O ZINC000408865019 556873264 /nfs/dbraw/zinc/87/32/64/556873264.db2.gz BCVBBZRKSSRHFS-PTNGSMBKSA-N -1 0 429.270 3.687 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(OCC)c3)C2=O)cc1 ZINC000408897974 556883375 /nfs/dbraw/zinc/88/33/75/556883375.db2.gz KASJWAYMJHHSKP-RGEXLXHISA-N -1 0 438.480 3.939 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000408933533 556894985 /nfs/dbraw/zinc/89/49/85/556894985.db2.gz AQDTYUCHPIJBQB-BKUYFWCQSA-N -1 0 432.407 3.777 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000408961317 556900819 /nfs/dbraw/zinc/90/08/19/556900819.db2.gz RKEBTELLEWQUKF-LDADJPATSA-N -1 0 440.297 3.716 40 10 IHCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCC(=O)[O-])cc1 ZINC000409031013 556927226 /nfs/dbraw/zinc/92/72/26/556927226.db2.gz GFZJLHFGIWRTJE-IZZDOVSWSA-N -1 0 426.297 3.652 40 10 IHCBRM COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409123209 556962251 /nfs/dbraw/zinc/96/22/51/556962251.db2.gz AJMMSTLFKRBJMU-RIYZIHGNSA-N -1 0 430.913 3.805 40 10 IHCBRM Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1C ZINC000409135510 556969088 /nfs/dbraw/zinc/96/90/88/556969088.db2.gz RTKFVZAVMNVVJZ-CPNJWEJPSA-N -1 0 446.488 3.834 40 10 IHCBRM CCOc1cccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)c1OCC(=O)[O-] ZINC000409214674 557009125 /nfs/dbraw/zinc/00/91/25/557009125.db2.gz ZQVGDBZNSKZSDL-YBEGLDIGSA-N -1 0 432.523 3.504 40 10 IHCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccn4)c3C)C2=O)c1 ZINC000409224453 557013447 /nfs/dbraw/zinc/01/34/47/557013447.db2.gz HRWPLHOGSUTBAT-DEDYPNTBSA-N -1 0 430.464 3.554 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cccnc3)c2C)C1=O ZINC000409237999 557019446 /nfs/dbraw/zinc/01/94/46/557019446.db2.gz JUOZBZQPARUUHV-CPNJWEJPSA-N -1 0 430.464 3.554 40 10 IHCBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 ZINC000409231958 557023475 /nfs/dbraw/zinc/02/34/75/557023475.db2.gz GMDIFWDHGRXGNA-XNTDXEJSSA-N -1 0 446.912 3.506 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1Br ZINC000409242399 557032415 /nfs/dbraw/zinc/03/24/15/557032415.db2.gz UQCBFBWANMMTEA-UKTHLTGXSA-N -1 0 431.311 3.597 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000409251792 557036662 /nfs/dbraw/zinc/03/66/62/557036662.db2.gz QHAAQTBZWBZFQW-GZTJUZNOSA-N -1 0 426.354 3.558 40 10 IHCBRM CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102708048 557133163 /nfs/dbraw/zinc/13/31/63/557133163.db2.gz SIFVCQCQAKWGQN-RJGXRXQPSA-N -1 0 431.467 3.943 40 10 IHCBRM COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)ccc1Cl ZINC000009310636 557186414 /nfs/dbraw/zinc/18/64/14/557186414.db2.gz PQJFWIMRTKDZFC-VGOFMYFVSA-N -1 0 437.882 3.672 40 10 IHCBRM O=C([O-])c1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000110422594 557209298 /nfs/dbraw/zinc/20/92/98/557209298.db2.gz REGKPQZMTXZKRX-IUXPMGMMSA-N -1 0 442.562 3.834 40 10 IHCBRM O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1O ZINC000033543000 557409641 /nfs/dbraw/zinc/40/96/41/557409641.db2.gz JQYWZPBARKQBKM-VIZOYTHASA-N -1 0 448.909 3.584 40 10 IHCBRM O=C([O-])COc1cccc(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)c1 ZINC000016909762 557475954 /nfs/dbraw/zinc/47/59/54/557475954.db2.gz AKSUKJXGUNDENA-OQLLNIDSSA-N -1 0 433.283 3.995 40 10 IHCBRM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]3CC[C@@H]1O3)CCCCCCC2 ZINC000017099632 557483202 /nfs/dbraw/zinc/48/32/02/557483202.db2.gz UMAMRECRQJXFCC-DACLVMHWSA-N -1 0 435.542 3.791 40 10 IHCBRM Cc1ccc(C(=O)Oc2c(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 ZINC000033375493 569259224 /nfs/dbraw/zinc/25/92/24/569259224.db2.gz OAKNYGQASMKMDX-RGEXLXHISA-N -1 0 443.415 3.584 40 10 IHCBRM CCOC(=O)[C@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033410706 569259305 /nfs/dbraw/zinc/25/93/05/569259305.db2.gz VJGHLUHKEFWWKH-NOEYKIMYSA-N -1 0 430.460 3.632 40 10 IHCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000009265369 132311943 /nfs/dbraw/zinc/31/19/43/132311943.db2.gz PHYBDYRFYSVCAG-MOSHPQCFSA-N -1 0 444.447 3.977 40 10 IHCBRM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000408532904 555745294 /nfs/dbraw/zinc/74/52/94/555745294.db2.gz RLPAYZBTSVAUSW-NTEUORMPSA-N -1 0 428.832 3.752 40 10 IHCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(=O)c3ccccc3)C2=O)c1 ZINC000408536091 555758652 /nfs/dbraw/zinc/75/86/52/555758652.db2.gz PQGABRAXWOHSRW-ZHZULCJRSA-N -1 0 442.427 3.581 40 10 IHCBRM COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000004087082 555960165 /nfs/dbraw/zinc/96/01/65/555960165.db2.gz LWWMEQSWGBNIMJ-UDWIEESQSA-N -1 0 447.447 3.976 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408692159 556094996 /nfs/dbraw/zinc/09/49/96/556094996.db2.gz FTVAVPSYJNHFKB-DEDYPNTBSA-N -1 0 434.492 3.987 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000408695805 556098062 /nfs/dbraw/zinc/09/80/62/556098062.db2.gz ZTFFONSPUKICJK-SFQUDFHCSA-N -1 0 428.286 3.644 40 10 IHCBRM CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000008828387 556224508 /nfs/dbraw/zinc/22/45/08/556224508.db2.gz LQNBCIXVMOBXEJ-MFOYZWKCSA-N -1 0 431.491 3.904 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032116969 556532840 /nfs/dbraw/zinc/53/28/40/556532840.db2.gz YPGBMYNREDKFRA-LFYBBSHMSA-N -1 0 431.813 3.649 40 10 IHCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC)c(Cl)c3)C(=O)[N-]C2=S)c1 ZINC000408772429 556847593 /nfs/dbraw/zinc/84/75/93/556847593.db2.gz LPUCRAUZTHPJLS-MHWRWJLKSA-N -1 0 430.913 3.969 40 10 IHCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000408772947 556848010 /nfs/dbraw/zinc/84/80/10/556848010.db2.gz JDSYDCCXHFFILN-KPKJPENVSA-N -1 0 439.733 3.933 40 10 IHCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000408816160 556863664 /nfs/dbraw/zinc/86/36/64/556863664.db2.gz SRAXYRXYCTWXGP-XNTDXEJSSA-N -1 0 429.270 3.741 40 10 IHCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408818617 556864565 /nfs/dbraw/zinc/86/45/65/556864565.db2.gz XRUWIVFEUDIQHP-MHWRWJLKSA-N -1 0 444.871 3.812 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408813622 556865099 /nfs/dbraw/zinc/86/50/99/556865099.db2.gz UUUXVFAHYQQETQ-DEDYPNTBSA-N -1 0 432.407 3.777 40 10 IHCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c1 ZINC000408851314 556870861 /nfs/dbraw/zinc/87/08/61/556870861.db2.gz XOKZJTRREFZLEX-HMMYKYKNSA-N -1 0 449.507 3.751 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OC(C)C ZINC000408882142 556878444 /nfs/dbraw/zinc/87/84/44/556878444.db2.gz LJDPMSMVWNRXQU-JYRVWZFOSA-N -1 0 432.835 3.941 40 10 IHCBRM CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408916925 556888600 /nfs/dbraw/zinc/88/86/00/556888600.db2.gz IWPRDWJNJCWDNF-ZSOIEALJSA-N -1 0 434.876 3.718 40 10 IHCBRM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408950140 556898064 /nfs/dbraw/zinc/89/80/64/556898064.db2.gz DPTSAQAREYMQPV-XSFVSMFZSA-N -1 0 431.517 3.934 40 10 IHCBRM O=C([O-])c1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000409044970 556930306 /nfs/dbraw/zinc/93/03/06/556930306.db2.gz DZODLOXSIBLTJD-ZHZULCJRSA-N -1 0 442.427 3.630 40 10 IHCBRM COc1ccc(COc2ccc(/C=C3/SC(=S)N(CCC(=O)[O-])C3=O)cc2)cc1 ZINC000409107383 556959390 /nfs/dbraw/zinc/95/93/90/556959390.db2.gz RKYHSTXKPYNKSQ-LDADJPATSA-N -1 0 429.519 3.950 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccn1 ZINC000409146472 556977260 /nfs/dbraw/zinc/97/72/60/556977260.db2.gz UHFIAMXFQUBMRW-CPNJWEJPSA-N -1 0 430.533 3.937 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409195320 556993637 /nfs/dbraw/zinc/99/36/37/556993637.db2.gz HOGFFYAEXLFJHK-HDAJJNEKSA-N -1 0 443.956 3.769 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409196767 556994704 /nfs/dbraw/zinc/99/47/04/556994704.db2.gz XONRTGBEBPRVQH-BCVDLATCSA-N -1 0 437.565 3.732 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409201527 557000548 /nfs/dbraw/zinc/00/05/48/557000548.db2.gz LXPRYUWPLNGXBR-UNOMPAQXSA-N -1 0 445.431 3.644 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409204751 557003105 /nfs/dbraw/zinc/00/31/05/557003105.db2.gz JYIMJDWFVLCEDH-JLDPKJTDSA-N -1 0 437.565 3.732 40 10 IHCBRM CCOc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1OCC(=O)[O-] ZINC000409213773 557008428 /nfs/dbraw/zinc/00/84/28/557008428.db2.gz VDLFGGQMUGUQJI-GZTJUZNOSA-N -1 0 429.519 3.950 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1Br ZINC000409222654 557017378 /nfs/dbraw/zinc/01/73/78/557017378.db2.gz CROSDTMHCUOHPO-NTEUORMPSA-N -1 0 445.338 3.906 40 10 IHCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000409223232 557017545 /nfs/dbraw/zinc/01/75/45/557017545.db2.gz DTBRSAGBURIWEC-CPNJWEJPSA-N -1 0 446.488 3.834 40 10 IHCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000409238379 557019673 /nfs/dbraw/zinc/01/96/73/557019673.db2.gz NIYKQYKYYRVFOB-YRNVUSSQSA-N -1 0 445.216 3.892 40 10 IHCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c1 ZINC000409234460 557025658 /nfs/dbraw/zinc/02/56/58/557025658.db2.gz WWFSLEWVEDNHET-RCCKNPSSSA-N -1 0 444.560 3.991 40 10 IHCBRM COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)o1 ZINC000409254985 557034459 /nfs/dbraw/zinc/03/44/59/557034459.db2.gz XIPLFZOIOFCISG-QGOAFFKASA-N -1 0 446.484 3.873 40 10 IHCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)cc1 ZINC000208446493 557087555 /nfs/dbraw/zinc/08/75/55/557087555.db2.gz PXCLDTCABSKAOH-DEDYPNTBSA-N -1 0 431.492 3.993 40 10 IHCBRM O=C([O-])c1cc(NC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)ccc1O ZINC000033585715 557415270 /nfs/dbraw/zinc/41/52/70/557415270.db2.gz PVVMRBPDGMSQRM-VIZOYTHASA-N -1 0 448.909 3.584 40 10 IHCBRM CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000014903968 557455494 /nfs/dbraw/zinc/45/54/94/557455494.db2.gz XCOAKUWAQLJURX-WQRHYEAKSA-N -1 0 428.535 3.900 40 10 IHCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC ZINC000059104304 557814066 /nfs/dbraw/zinc/81/40/66/557814066.db2.gz WTHJRSCPKNYGBI-LFYBBSHMSA-N -1 0 430.800 3.593 40 10 IHCBRM Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000059858844 557827630 /nfs/dbraw/zinc/82/76/30/557827630.db2.gz GPNKSEVRLLARIZ-UNOMPAQXSA-N -1 0 449.898 3.780 40 10 IHCBRM CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(OCc2ccccc2F)c1 ZINC000107736905 569260548 /nfs/dbraw/zinc/26/05/48/569260548.db2.gz VTLKIPAVHSIJTF-STZFKDTASA-N -1 0 431.467 3.932 40 10 IHCBRM CC(C)Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000034881931 555553121 /nfs/dbraw/zinc/55/31/21/555553121.db2.gz SZCQMWIZVKCVQT-ZSOIEALJSA-N -1 0 446.257 3.606 40 10 IHCBRM Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000001181239 555671963 /nfs/dbraw/zinc/67/19/63/555671963.db2.gz AZYMMOXNZWJTJX-SFQUDFHCSA-N -1 0 426.519 3.923 40 10 IHCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3cccc(Cl)c3)C2=O)ccc1Br ZINC000408535028 555742307 /nfs/dbraw/zinc/74/23/07/555742307.db2.gz SCLQCCQLKUPVRO-NTEUORMPSA-N -1 0 434.677 3.990 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000408549853 555830779 /nfs/dbraw/zinc/83/07/79/555830779.db2.gz AIMJPNVBVMYBPV-YFHOEESVSA-N -1 0 426.256 3.582 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408695457 556097855 /nfs/dbraw/zinc/09/78/55/556097855.db2.gz VKZWZCZDLHMWDP-CPNJWEJPSA-N -1 0 435.436 3.578 40 10 IHCBRM Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1 ZINC000008821260 556222524 /nfs/dbraw/zinc/22/25/24/556222524.db2.gz WYOGLQYYLNYCCY-PDGQHHTCSA-N -1 0 449.575 3.663 40 10 IHCBRM CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC ZINC000008828385 556224514 /nfs/dbraw/zinc/22/45/14/556224514.db2.gz VRBULBWHUITMMC-MFOYZWKCSA-N -1 0 431.491 3.904 40 10 IHCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1C ZINC000015013111 556484199 /nfs/dbraw/zinc/48/41/99/556484199.db2.gz CDQCRRYTRSDHJC-XFXZXTDPSA-N -1 0 435.263 3.985 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000032193778 556537245 /nfs/dbraw/zinc/53/72/45/556537245.db2.gz ITCHEYBSKABSEZ-QGOAFFKASA-N -1 0 440.297 3.716 40 10 IHCBRM COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)o1 ZINC000408786440 556856354 /nfs/dbraw/zinc/85/63/54/556856354.db2.gz PYSNVNBBBKYILT-LDADJPATSA-N -1 0 447.403 3.838 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408858197 556871142 /nfs/dbraw/zinc/87/11/42/556871142.db2.gz XOKSLSUBMDMZEO-NTEUORMPSA-N -1 0 433.233 3.653 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)cc3)C2=O)cc1C ZINC000408854087 556871672 /nfs/dbraw/zinc/87/16/72/556871672.db2.gz XGERHOZBJYXCDC-MHWRWJLKSA-N -1 0 446.244 3.574 40 10 IHCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408871420 556874993 /nfs/dbraw/zinc/87/49/93/556874993.db2.gz ZMHVWVGEGVMGEW-RQZCQDPDSA-N -1 0 429.270 3.741 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 ZINC000408884122 556877751 /nfs/dbraw/zinc/87/77/51/556877751.db2.gz WATOVCICEJVWIN-OQLLNIDSSA-N -1 0 430.844 3.509 40 10 IHCBRM Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408902356 556885205 /nfs/dbraw/zinc/88/52/05/556885205.db2.gz HVKSFWOHJMBBHD-MTJSOVHGSA-N -1 0 429.501 3.871 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408902546 556885266 /nfs/dbraw/zinc/88/52/66/556885266.db2.gz JNQFOJWLEFQDKO-WOJGMQOQSA-N -1 0 448.366 3.588 40 10 IHCBRM Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)o1 ZINC000408912516 556886295 /nfs/dbraw/zinc/88/62/95/556886295.db2.gz HYIZVGYZRWKYSA-WQRHYEAKSA-N -1 0 435.367 3.969 40 10 IHCBRM Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)[N-]C1=S ZINC000408953385 556898081 /nfs/dbraw/zinc/89/80/81/556898081.db2.gz PDUSDBNHGYOILH-HMMYKYKNSA-N -1 0 430.533 3.683 40 10 IHCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409000124 556914100 /nfs/dbraw/zinc/91/41/00/556914100.db2.gz MOUQSZRKXMZGGH-XKZIYDEJSA-N -1 0 447.466 3.904 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)C(=O)N1 ZINC000409044695 556930373 /nfs/dbraw/zinc/93/03/73/556930373.db2.gz WSYWQXFINVBPIF-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000409083524 556948123 /nfs/dbraw/zinc/94/81/23/556948123.db2.gz BIFUNGVNVLARNT-XDHOZWIPSA-N -1 0 449.507 3.587 40 10 IHCBRM Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)c(C)c1 ZINC000409128256 556966601 /nfs/dbraw/zinc/96/66/01/556966601.db2.gz SAYIJNPURZBVOU-CPNJWEJPSA-N -1 0 446.488 3.834 40 10 IHCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2C)C1=O ZINC000409135138 556968866 /nfs/dbraw/zinc/96/88/66/556968866.db2.gz UTTRLXRFEPTOOG-XNTDXEJSSA-N -1 0 445.338 3.906 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C(=O)[N-]C1=S ZINC000409168779 556983107 /nfs/dbraw/zinc/98/31/07/556983107.db2.gz SQLIGKPEZXPQBP-QGOAFFKASA-N -1 0 446.532 3.637 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)[N-]C1=S ZINC000409173021 556984256 /nfs/dbraw/zinc/98/42/56/556984256.db2.gz KPGXEMIUMWICDR-CPNJWEJPSA-N -1 0 447.516 3.640 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409199065 556993495 /nfs/dbraw/zinc/99/34/95/556993495.db2.gz NMUWFIJAOXMKFK-PYJSORCASA-N -1 0 441.915 3.599 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1OC ZINC000409215621 557010439 /nfs/dbraw/zinc/01/04/39/557010439.db2.gz CLFSGEHKFRFHPY-HMMYKYKNSA-N -1 0 449.507 3.751 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)/C(=C\c2cc(OCC)c(OC)cc2Cl)C1=O ZINC000409229694 557015897 /nfs/dbraw/zinc/01/58/97/557015897.db2.gz SYLTUTIGIBGUKF-GXDHUFHOSA-N -1 0 444.871 3.812 40 10 IHCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000409239345 557020681 /nfs/dbraw/zinc/02/06/81/557020681.db2.gz MXVAFGRNMHADBB-GXDHUFHOSA-N -1 0 431.311 3.597 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1OC ZINC000409231618 557023323 /nfs/dbraw/zinc/02/33/23/557023323.db2.gz DEMBENVUPZXCNE-NTEUORMPSA-N -1 0 446.912 3.506 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OC(F)F ZINC000409360805 557086860 /nfs/dbraw/zinc/08/68/60/557086860.db2.gz PZXLXGDXPRGWJG-JYRVWZFOSA-N -1 0 442.490 3.904 40 10 IHCBRM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(N(C)C)cc3)C2)c1 ZINC000095532095 557157848 /nfs/dbraw/zinc/15/78/48/557157848.db2.gz ULGSJXWHXRHYQE-JOCHJYFZSA-N -1 0 439.512 3.702 40 10 IHCBRM Cc1cc([O-])c(S(=O)(=O)c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000096300978 557194573 /nfs/dbraw/zinc/19/45/73/557194573.db2.gz TVULPBNRYHGYNF-UHFFFAOYSA-N -1 0 437.926 3.988 40 10 IHCBRM COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C ZINC000112289792 557238489 /nfs/dbraw/zinc/23/84/89/557238489.db2.gz BMCZNEWPXZNTNJ-MOSHPQCFSA-N -1 0 426.404 3.694 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834668 557307635 /nfs/dbraw/zinc/30/76/35/557307635.db2.gz LXTZSIUHDPVBNW-DEDYPNTBSA-N -1 0 445.431 3.644 40 10 IHCBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000059336667 557822225 /nfs/dbraw/zinc/82/22/25/557822225.db2.gz MQRDFOVYKDEWHB-OQLLNIDSSA-N -1 0 432.835 3.943 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000108948496 569260958 /nfs/dbraw/zinc/26/09/58/569260958.db2.gz XOSMIPCYMZSCDG-NDENLUEZSA-N -1 0 448.450 3.883 40 10 IHCBRM N=C1/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000041084785 526836292 /nfs/dbraw/zinc/83/62/92/526836292.db2.gz PYKHAWWNADSKQL-WAKLOXMOSA-N -1 0 449.492 3.707 40 10 IHCBRM CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000002930402 535485929 /nfs/dbraw/zinc/48/59/29/535485929.db2.gz XRPUJYNOOGTDCT-PTNGSMBKSA-N -1 0 429.270 3.823 40 10 IHCBRM COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)c1 ZINC000002448838 555780896 /nfs/dbraw/zinc/78/08/96/555780896.db2.gz YIWRFUMVIGXLOU-IQFISFIMSA-N -1 0 429.519 3.601 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 ZINC000408723086 556150597 /nfs/dbraw/zinc/15/05/97/556150597.db2.gz QGNFRRPQIQOZMJ-NTUHNPAUSA-N -1 0 437.304 3.842 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408743247 556216093 /nfs/dbraw/zinc/21/60/93/556216093.db2.gz ZRRUAEQORKCQEX-XSFVSMFZSA-N -1 0 428.444 3.941 40 10 IHCBRM Cc1ccc(COc2ccc(/C=C3\SC(=S)N(CCS(=O)(=O)[O-])C3=O)cc2)cc1 ZINC000008821340 556222442 /nfs/dbraw/zinc/22/24/42/556222442.db2.gz QRZGVHKXTXDEBQ-PDGQHHTCSA-N -1 0 449.575 3.663 40 10 IHCBRM Cn1c(/C=C2/SC(=S)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2=O)cc2ccccc21 ZINC000008821935 556223872 /nfs/dbraw/zinc/22/38/72/556223872.db2.gz NPUDXLVWDZODKZ-GZTJUZNOSA-N -1 0 438.490 3.633 40 10 IHCBRM CCCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870193 556229269 /nfs/dbraw/zinc/22/92/69/556229269.db2.gz LYZYPVKDCKYXLF-ISVCHFOKSA-N -1 0 446.594 3.984 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1Cl ZINC000032125501 556535194 /nfs/dbraw/zinc/53/51/94/556535194.db2.gz DADGNZXHIQRJPN-QPEQYQDCSA-N -1 0 435.661 3.783 40 10 IHCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000016678462 556623273 /nfs/dbraw/zinc/62/32/73/556623273.db2.gz ADYKHXTYDMSGOQ-RCCKNPSSSA-N -1 0 430.508 3.719 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c(O)cc1O ZINC000083330502 556664003 /nfs/dbraw/zinc/66/40/03/556664003.db2.gz OHOVVCWUXYHQHZ-WEVVVXLNSA-N -1 0 437.246 3.671 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000408848894 556870312 /nfs/dbraw/zinc/87/03/12/556870312.db2.gz WUFXBQJUOOANOJ-DHZHZOJOSA-N -1 0 437.304 3.842 40 10 IHCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(N3CCCC3)o2)C1=O ZINC000408858622 556871421 /nfs/dbraw/zinc/87/14/21/556871421.db2.gz QXLPQDGKVSFDRX-GXDHUFHOSA-N -1 0 444.285 3.617 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1 ZINC000408875704 556876277 /nfs/dbraw/zinc/87/62/77/556876277.db2.gz LJXUMZUROJWFFV-DEDYPNTBSA-N -1 0 445.406 3.991 40 10 IHCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(Br)c2)C1=O ZINC000408880681 556878212 /nfs/dbraw/zinc/87/82/12/556878212.db2.gz HWSAXBUUOPOMTR-WUXMJOGZSA-N -1 0 435.661 3.783 40 10 IHCBRM COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)o2)c1 ZINC000408913023 556887487 /nfs/dbraw/zinc/88/74/87/556887487.db2.gz JQSGGSIIJBHPFQ-XDHOZWIPSA-N -1 0 448.406 3.847 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)c(Cl)cc1OC ZINC000409019305 556923747 /nfs/dbraw/zinc/92/37/47/556923747.db2.gz YQIMJHKSFPFOTD-OQLLNIDSSA-N -1 0 446.912 3.587 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)C(=O)N1 ZINC000409044124 556930004 /nfs/dbraw/zinc/93/00/04/556930004.db2.gz AYSLLNGHBBUPLX-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409044220 556930081 /nfs/dbraw/zinc/93/00/81/556930081.db2.gz ULYDQMHJFYQBQA-LFYBBSHMSA-N -1 0 436.207 3.577 40 10 IHCBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1 ZINC000409065674 556941586 /nfs/dbraw/zinc/94/15/86/556941586.db2.gz IRAQEHMLNPZXSC-GXDHUFHOSA-N -1 0 446.912 3.506 40 10 IHCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409094852 556950119 /nfs/dbraw/zinc/95/01/19/556950119.db2.gz GAQZVRMMRCYEIJ-MHWRWJLKSA-N -1 0 429.904 3.911 40 10 IHCBRM COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409130383 556967498 /nfs/dbraw/zinc/96/74/98/556967498.db2.gz HOIGYEGWWTWIOQ-RIYZIHGNSA-N -1 0 430.913 3.805 40 10 IHCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)c(Cl)c1 ZINC000409146526 556977182 /nfs/dbraw/zinc/97/71/82/556977182.db2.gz UDDDVTQDLSQRQD-DHDCSXOGSA-N -1 0 432.910 3.893 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[N-]C1=S ZINC000409174384 556984959 /nfs/dbraw/zinc/98/49/59/556984959.db2.gz RTKIGSKFGVWXEQ-FOWTUZBSSA-N -1 0 449.444 3.695 40 10 IHCBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000409229781 557016244 /nfs/dbraw/zinc/01/62/44/557016244.db2.gz UZNPZGFZBJDABH-XSFVSMFZSA-N -1 0 435.549 3.825 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409240490 557021577 /nfs/dbraw/zinc/02/15/77/557021577.db2.gz KWRKLUZKJDBUMO-OQLLNIDSSA-N -1 0 438.783 3.570 40 10 IHCBRM COc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409233998 557025197 /nfs/dbraw/zinc/02/51/97/557025197.db2.gz VIUCOIRWDAJEOM-SFQUDFHCSA-N -1 0 439.899 3.924 40 10 IHCBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409234181 557025642 /nfs/dbraw/zinc/02/56/42/557025642.db2.gz MYVWIIBPRFNEEH-KGENOOAVSA-N -1 0 433.508 3.969 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC ZINC000409248592 557029407 /nfs/dbraw/zinc/02/94/07/557029407.db2.gz HGMPIYDPJSYAPD-OQLLNIDSSA-N -1 0 430.913 3.887 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)cc2OC)C1=O ZINC000409248345 557029420 /nfs/dbraw/zinc/02/94/20/557029420.db2.gz QASNIDVFOSJZGK-XDJHFCHBSA-N -1 0 449.507 3.751 40 10 IHCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)cc2OC)C1=O ZINC000409241466 557031536 /nfs/dbraw/zinc/03/15/36/557031536.db2.gz NMVIUAGQLWVOQZ-HMMYKYKNSA-N -1 0 433.508 3.914 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1OC ZINC000409242247 557032276 /nfs/dbraw/zinc/03/22/76/557032276.db2.gz WGFACEIORDQAEI-SFQUDFHCSA-N -1 0 440.521 3.667 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OCC(=O)[O-])SC2=S)cc1 ZINC000409335143 557072187 /nfs/dbraw/zinc/07/21/87/557072187.db2.gz XRMZZDAZVUEYFS-GZTJUZNOSA-N -1 0 445.518 3.963 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409391103 557095789 /nfs/dbraw/zinc/09/57/89/557095789.db2.gz HDETYKTWELGTRA-XNTDXEJSSA-N -1 0 438.783 3.570 40 10 IHCBRM CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@@H]2C1=O ZINC000100799138 557455312 /nfs/dbraw/zinc/45/53/12/557455312.db2.gz OHZDMHXAYPJNCU-OTWHNJEPSA-N -1 0 445.313 3.801 40 10 IHCBRM Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c1C ZINC000015227546 557460713 /nfs/dbraw/zinc/46/07/13/557460713.db2.gz WEWWSJWVVAJEGN-RCCKNPSSSA-N -1 0 444.560 3.991 40 10 IHCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2c1 ZINC000033318063 557807186 /nfs/dbraw/zinc/80/71/86/557807186.db2.gz NXBFTSNWWHKVIH-DEDYPNTBSA-N -1 0 434.448 3.892 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000059194152 557818200 /nfs/dbraw/zinc/81/82/00/557818200.db2.gz MBQBIBYIAPFNOO-ZHZULCJRSA-N -1 0 428.444 3.684 40 10 IHCBRM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2/C=C1\SC(=S)N(c2cccc(O)c2)C1=O ZINC000256055735 568663537 /nfs/dbraw/zinc/66/35/37/568663537.db2.gz RFERJYADIHNCNX-SXGWCWSVSA-N -1 0 426.475 3.986 40 10 IHCBRM CC(C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000108945305 569260964 /nfs/dbraw/zinc/26/09/64/569260964.db2.gz VLONLQVOKSCGIO-DHDCSXOGSA-N -1 0 446.257 3.606 40 10 IHCBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000009260245 132311527 /nfs/dbraw/zinc/31/15/27/132311527.db2.gz JTDVUWAOPJLTMP-RIYZIHGNSA-N -1 0 434.876 3.718 40 10 IHCBRM O=C([O-])c1cc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)ccc1O ZINC000012275240 526348437 /nfs/dbraw/zinc/34/84/37/526348437.db2.gz IPFZWKPWHMRFHM-IZZDOVSWSA-N -1 0 426.269 3.852 40 10 IHCBRM CCCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000408529065 555722576 /nfs/dbraw/zinc/72/25/76/555722576.db2.gz GVPHSTNOMVRYBE-HMMYKYKNSA-N -1 0 443.459 3.985 40 10 IHCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OC(=O)c2ccccc2)C1=O ZINC000408538052 555775308 /nfs/dbraw/zinc/77/53/08/555775308.db2.gz YSKNMVSWSFNEHB-SDXDJHTJSA-N -1 0 442.427 3.581 40 10 IHCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2I)C1=O ZINC000408551961 555878734 /nfs/dbraw/zinc/87/87/34/555878734.db2.gz PTKRSNLJQMMFMU-SDNWHVSQSA-N -1 0 446.244 3.520 40 10 IHCBRM CC(C)COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1Br ZINC000408601936 555970644 /nfs/dbraw/zinc/97/06/44/555970644.db2.gz MGUIDRZHRQQXJW-MLPAPPSSSA-N -1 0 430.345 3.770 40 10 IHCBRM O=C([O-])/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1 ZINC000408631746 556003276 /nfs/dbraw/zinc/00/32/76/556003276.db2.gz BMTPLHRFSYKURR-LDADJPATSA-N -1 0 427.438 3.790 40 10 IHCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408722094 556148465 /nfs/dbraw/zinc/14/84/65/556148465.db2.gz DJGKTLIRUSZFBH-WUXMJOGZSA-N -1 0 437.702 3.639 40 10 IHCBRM COc1cc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)cc(OC)c1OC ZINC000008821895 556223953 /nfs/dbraw/zinc/22/39/53/556223953.db2.gz SBYLBXWRKIDQRP-MFOYZWKCSA-N -1 0 428.466 3.801 40 10 IHCBRM CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870196 556229334 /nfs/dbraw/zinc/22/93/34/556229334.db2.gz SKMDNRTXDZVRRV-ODSIWJHVSA-N -1 0 446.594 3.840 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OC ZINC000015013391 556484110 /nfs/dbraw/zinc/48/41/10/556484110.db2.gz KEVMDGHFUSXAIN-JYRVWZFOSA-N -1 0 446.912 3.506 40 10 IHCBRM COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000013547899 556514239 /nfs/dbraw/zinc/51/42/39/556514239.db2.gz AIJHZWJYOJWVQH-YBEGLDIGSA-N -1 0 425.528 3.559 40 10 IHCBRM CCOc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc1OCC ZINC000032099549 556528850 /nfs/dbraw/zinc/52/88/50/556528850.db2.gz UTILPFVDJDVGAY-YBEGLDIGSA-N -1 0 431.286 3.708 40 10 IHCBRM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000016692883 556627909 /nfs/dbraw/zinc/62/79/09/556627909.db2.gz MNKRMYCFCHCGNT-YBEGLDIGSA-N -1 0 425.397 3.899 40 10 IHCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)cc3O)C2=O)c1 ZINC000083308389 556663143 /nfs/dbraw/zinc/66/31/43/556663143.db2.gz AYZCXIVJNICTBM-AWNIVKPZSA-N -1 0 431.242 3.984 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408798456 556857605 /nfs/dbraw/zinc/85/76/05/556857605.db2.gz IJQYWXLJXZWNMH-FYJGNVAPSA-N -1 0 432.407 3.777 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1Br ZINC000408808378 556861360 /nfs/dbraw/zinc/86/13/60/556861360.db2.gz FWBIZWKAHWTKSZ-XNTDXEJSSA-N -1 0 445.269 3.523 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC ZINC000408815581 556863149 /nfs/dbraw/zinc/86/31/49/556863149.db2.gz RUUMDLUSWMWGKQ-KPKJPENVSA-N -1 0 435.263 3.985 40 10 IHCBRM CCOc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(C)c3)C(=O)[N-]C2=S)c1 ZINC000408851159 556870962 /nfs/dbraw/zinc/87/09/62/556870962.db2.gz VRLHNHYXRARPGM-ZHZULCJRSA-N -1 0 435.549 3.825 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(OC)c3)C2=O)cc1 ZINC000408864868 556873015 /nfs/dbraw/zinc/87/30/15/556873015.db2.gz ASYSXFNZFLSGRG-LICLKQGHSA-N -1 0 445.269 3.523 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1 ZINC000408882343 556878476 /nfs/dbraw/zinc/87/84/76/556878476.db2.gz QUWURTWJDFEWQV-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408893533 556879907 /nfs/dbraw/zinc/87/99/07/556879907.db2.gz AZALCUGYFUQIRK-UYRXBGFRSA-N -1 0 438.480 3.938 40 10 IHCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 ZINC000408900728 556882378 /nfs/dbraw/zinc/88/23/78/556882378.db2.gz UFQNABCYKJNWIT-YBEGLDIGSA-N -1 0 444.871 3.900 40 10 IHCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)o2)cc1 ZINC000408910227 556887727 /nfs/dbraw/zinc/88/77/27/556887727.db2.gz JTCSNGORBLPOMY-LDADJPATSA-N -1 0 434.379 3.539 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000408933923 556895280 /nfs/dbraw/zinc/89/52/80/556895280.db2.gz CEJRREIJNTXSEV-BKUYFWCQSA-N -1 0 443.415 3.840 40 10 IHCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C1=O ZINC000408949347 556897832 /nfs/dbraw/zinc/89/78/32/556897832.db2.gz BGUATFVXEHDDLZ-LTGZKZEYSA-N -1 0 428.492 3.772 40 10 IHCBRM CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)[N-]C1=S ZINC000408949997 556897854 /nfs/dbraw/zinc/89/78/54/556897854.db2.gz CYSRIMXJNGNGPS-LTGZKZEYSA-N -1 0 444.560 3.937 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000408960204 556900048 /nfs/dbraw/zinc/90/00/48/556900048.db2.gz DNBWDUOROQVNKR-PVZSTHCMSA-N -1 0 442.225 3.580 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)[N-]C2=S)cc1 ZINC000409020594 556922097 /nfs/dbraw/zinc/92/20/97/556922097.db2.gz QWLBZMCCHXHMNY-XSFVSMFZSA-N -1 0 431.517 3.934 40 10 IHCBRM O=C([O-])CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)SC1=S ZINC000409101053 556955519 /nfs/dbraw/zinc/95/55/19/556955519.db2.gz PBPWCKHQTFIFRZ-GZTJUZNOSA-N -1 0 444.490 3.850 40 10 IHCBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 ZINC000409161655 556980962 /nfs/dbraw/zinc/98/09/62/556980962.db2.gz OJAAMNWZBKZAMR-WQRHYEAKSA-N -1 0 440.477 3.612 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409196768 556994708 /nfs/dbraw/zinc/99/47/08/556994708.db2.gz XONRTGBEBPRVQH-JLDPKJTDSA-N -1 0 437.565 3.732 40 10 IHCBRM Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)[N-]C2=S)cc1Cl ZINC000409239837 557020909 /nfs/dbraw/zinc/02/09/09/557020909.db2.gz FNIGFCXNPLORRA-HUSDYWJVSA-N -1 0 427.869 3.944 40 10 IHCBRM COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)c2c1 ZINC000409245683 557027294 /nfs/dbraw/zinc/02/72/94/557027294.db2.gz XMFDJQOMPAAQTL-CPNJWEJPSA-N -1 0 432.501 3.997 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1C ZINC000409243295 557033212 /nfs/dbraw/zinc/03/32/12/557033212.db2.gz ZXYCHZQHCQAUNT-OQLLNIDSSA-N -1 0 430.913 3.805 40 10 IHCBRM COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(C)[n-]n(-c2ccc(OC)cc2)c1=O ZINC000112292359 557239249 /nfs/dbraw/zinc/23/92/49/557239249.db2.gz DHHXYYCXYLSANO-BKUYFWCQSA-N -1 0 439.468 3.608 40 10 IHCBRM CCOc1ccccc1N=C(C)c1c(CC(=O)OC)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112292869 557239311 /nfs/dbraw/zinc/23/93/11/557239311.db2.gz ANKKMELEZLESMY-STZFKDTASA-N -1 0 438.440 3.645 40 10 IHCBRM O=C([O-])COc1ccccc1C=C1SC(Nc2ccccc2Br)=NC1=O ZINC000016910029 557475878 /nfs/dbraw/zinc/47/58/78/557475878.db2.gz FQYLIRVPHYAPAX-OQLLNIDSSA-N -1 0 433.283 3.995 40 10 IHCBRM CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000016914980 557475924 /nfs/dbraw/zinc/47/59/24/557475924.db2.gz NYVBRGGEEJKEEF-WOJGMQOQSA-N -1 0 445.518 3.963 40 10 IHCBRM O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)cc(Br)c1[O-] ZINC000058866214 557812264 /nfs/dbraw/zinc/81/22/64/557812264.db2.gz XGTXSUOUDOOZKQ-UHFFFAOYSA-N -1 0 432.064 3.671 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc2ncccc2c1 ZINC000105706152 569250333 /nfs/dbraw/zinc/25/03/33/569250333.db2.gz XQVIEMHRHQFVEU-UVTDQMKNSA-N -1 0 426.860 3.771 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000035352796 569260165 /nfs/dbraw/zinc/26/01/65/569260165.db2.gz ZJLHXUPDKMMBHL-UNOMPAQXSA-N -1 0 433.395 3.774 40 10 IHCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)C ZINC000108241633 569260947 /nfs/dbraw/zinc/26/09/47/569260947.db2.gz OTEGGXNQBPXYIE-MHWRWJLKSA-N -1 0 431.286 3.706 40 10 IHCBRM O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1O ZINC000033537452 526375122 /nfs/dbraw/zinc/37/51/22/526375122.db2.gz XFIRTTFYEQNLBC-VIZOYTHASA-N -1 0 448.909 3.584 40 10 IHCBRM COc1ccc(OC)c(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)c1 ZINC000002448840 555780833 /nfs/dbraw/zinc/78/08/33/555780833.db2.gz YIWRFUMVIGXLOU-YAJBTMAUSA-N -1 0 429.519 3.601 40 10 IHCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(N(C)C)cc3)C(=O)[O-])n[nH]2)c1 ZINC000408632731 556004634 /nfs/dbraw/zinc/00/46/34/556004634.db2.gz KAJPXTJFSGIONB-NVMNQCDNSA-N -1 0 426.498 3.773 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccnc1 ZINC000408791514 556857180 /nfs/dbraw/zinc/85/71/80/556857180.db2.gz ZKUJEMBSLGZRFP-UDWIEESQSA-N -1 0 430.533 3.937 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1Br ZINC000408804149 556860011 /nfs/dbraw/zinc/86/00/11/556860011.db2.gz WJVPISLKXBLKTN-XNTDXEJSSA-N -1 0 429.270 3.823 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000408806020 556860979 /nfs/dbraw/zinc/86/09/79/556860979.db2.gz DTWUFGZCRWQMBH-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408818464 556864574 /nfs/dbraw/zinc/86/45/74/556864574.db2.gz VNCVIHSWPIVZHX-MHWRWJLKSA-N -1 0 429.270 3.741 40 10 IHCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC)cc3)C2=O)c1 ZINC000408850247 556870619 /nfs/dbraw/zinc/87/06/19/556870619.db2.gz JKLOFTZZPVLGEW-SFQUDFHCSA-N -1 0 426.494 3.872 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408850831 556870849 /nfs/dbraw/zinc/87/08/49/556870849.db2.gz RVXRJFYTYIDGPQ-UDWIEESQSA-N -1 0 442.427 3.661 40 10 IHCBRM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(OCC(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408860436 556872480 /nfs/dbraw/zinc/87/24/80/556872480.db2.gz VMRQSBRQOKLLJD-CZSZKKDXSA-N -1 0 448.519 3.757 40 10 IHCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(OCC)c3)C2=O)cc1 ZINC000408870741 556874636 /nfs/dbraw/zinc/87/46/36/556874636.db2.gz UMLIVRGAZFYTJD-WOJGMQOQSA-N -1 0 442.855 3.582 40 10 IHCBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c1 ZINC000408881142 556878162 /nfs/dbraw/zinc/87/81/62/556878162.db2.gz JVAUMGFTGMBBSX-LICLKQGHSA-N -1 0 445.269 3.523 40 10 IHCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(OC)c3)C2=O)cc1 ZINC000408895185 556880628 /nfs/dbraw/zinc/88/06/28/556880628.db2.gz CUCCVWOLJBXXFO-RGEXLXHISA-N -1 0 438.480 3.939 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 ZINC000408896038 556880838 /nfs/dbraw/zinc/88/08/38/556880838.db2.gz GLOSXMRURPSXQS-YBEGLDIGSA-N -1 0 444.871 3.900 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCCC)C2=O)cc1 ZINC000408897185 556883037 /nfs/dbraw/zinc/88/30/37/556883037.db2.gz HZMRWJKGFVLBJS-ZHZULCJRSA-N -1 0 438.480 3.939 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408916317 556890545 /nfs/dbraw/zinc/89/05/45/556890545.db2.gz BTBGMJBYCLYZOM-GZTJUZNOSA-N -1 0 437.408 3.825 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c(OCC)c1 ZINC000408944608 556897489 /nfs/dbraw/zinc/89/74/89/556897489.db2.gz MZZBPCZCQXINBW-HMMYKYKNSA-N -1 0 445.475 3.941 40 10 IHCBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000409023571 556923571 /nfs/dbraw/zinc/92/35/71/556923571.db2.gz HEKBOYSSENKBCJ-BOPFTXTBSA-N -1 0 437.408 3.825 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)C(=O)N1 ZINC000409045641 556930365 /nfs/dbraw/zinc/93/03/65/556930365.db2.gz GUNAPCBRWAYFHT-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409122155 556961791 /nfs/dbraw/zinc/96/17/91/556961791.db2.gz ZXTQMVOFOPJDMI-QGOAFFKASA-N -1 0 447.516 3.634 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409197281 556995024 /nfs/dbraw/zinc/99/50/24/556995024.db2.gz AMHOPJQJJDVHJJ-HDAJJNEKSA-N -1 0 427.888 3.604 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000409220743 557016488 /nfs/dbraw/zinc/01/64/88/557016488.db2.gz FEYUVPXTXBMMAE-SDNWHVSQSA-N -1 0 430.913 3.969 40 10 IHCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409234455 557025609 /nfs/dbraw/zinc/02/56/09/557025609.db2.gz WUIVWDIXMYLOMM-XSFVSMFZSA-N -1 0 430.533 3.883 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OC)ccc3ccc(OC)cc32)C1=O ZINC000409244526 557026798 /nfs/dbraw/zinc/02/67/98/557026798.db2.gz FAFMAYJUKVTQSI-XMHGGMMESA-N -1 0 446.459 3.922 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccccn1 ZINC000409247799 557028947 /nfs/dbraw/zinc/02/89/47/557028947.db2.gz NZGYGWLXYAPNOG-FOWTUZBSSA-N -1 0 436.924 3.974 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@H](C)CC)c(OC)c2)C1=O ZINC000409243278 557033199 /nfs/dbraw/zinc/03/31/99/557033199.db2.gz ZRTNHDBHHQEUOE-OVGFGYAMSA-N -1 0 438.480 3.938 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000409394377 557098504 /nfs/dbraw/zinc/09/85/04/557098504.db2.gz ZQAYSSHENPSXCR-FYJGNVAPSA-N -1 0 440.434 3.890 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000409408185 557107544 /nfs/dbraw/zinc/10/75/44/557107544.db2.gz JEOBZKWFDVCAGN-HKWRFOASSA-N -1 0 428.444 3.766 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCC ZINC000409409248 557108291 /nfs/dbraw/zinc/10/82/91/557108291.db2.gz UTRWXHLTIGMRMH-GDNBJRDFSA-N -1 0 431.286 3.708 40 10 IHCBRM COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000112289895 557238577 /nfs/dbraw/zinc/23/85/77/557238577.db2.gz NHVZCJNUKYEFPA-NDENLUEZSA-N -1 0 427.432 3.738 40 10 IHCBRM CCn1c(=O)c(C2=NNC(=O)C2=Cc2ccc(Cl)cc2Cl)c([O-])c2ccccc21 ZINC000101512380 557293484 /nfs/dbraw/zinc/29/34/84/557293484.db2.gz NJVDIMSOPHTFHO-ZROIWOOFSA-N -1 0 428.275 3.951 40 10 IHCBRM COc1ccc2cc(/C=C3\SC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c(=O)[nH]c2c1 ZINC000102726904 557306526 /nfs/dbraw/zinc/30/65/26/557306526.db2.gz RSBBENFQQSMOQH-MFOYZWKCSA-N -1 0 438.486 3.641 40 10 IHCBRM CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000014903970 557455613 /nfs/dbraw/zinc/45/56/13/557455613.db2.gz GHPBAVLZEHXRCR-WOJGMQOQSA-N -1 0 428.535 3.900 40 10 IHCBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 ZINC000059138935 557816522 /nfs/dbraw/zinc/81/65/22/557816522.db2.gz ZRXZNVXMCKVBBY-CPNJWEJPSA-N -1 0 430.416 3.962 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)ccc1OCc1ccccc1 ZINC000000967081 568646628 /nfs/dbraw/zinc/64/66/28/568646628.db2.gz OSOSHBSEWRAXLU-NCUBORBFSA-N -1 0 429.519 3.949 40 10 IHCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000108056532 569252242 /nfs/dbraw/zinc/25/22/42/569252242.db2.gz VEYKWBFEEKZLSZ-KMHUVPDISA-N -1 0 447.285 3.881 40 10 IHCBRM CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)SC1=S ZINC000033745294 569259795 /nfs/dbraw/zinc/25/97/95/569259795.db2.gz UTGXMIUUWREWMQ-YHYXMXQVSA-N -1 0 436.736 3.787 40 10 IHCBRM O=C(COc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000107748336 569260462 /nfs/dbraw/zinc/26/04/62/569260462.db2.gz IOJQQTSACZKFKL-ZHZULCJRSA-N -1 0 447.878 3.819 40 10 IHCBRM COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000108043871 569260789 /nfs/dbraw/zinc/26/07/89/569260789.db2.gz BTPJWHCDOUNDGX-ZHZULCJRSA-N -1 0 445.431 3.644 40 10 IHCBRM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000108043874 569260839 /nfs/dbraw/zinc/26/08/39/569260839.db2.gz BTPJWHCDOUNDGX-XSFVSMFZSA-N -1 0 445.431 3.644 40 10 IHCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 ZINC000205707912 569261115 /nfs/dbraw/zinc/26/11/15/569261115.db2.gz GIMWPDVFPIDQLA-RQZCQDPDSA-N -1 0 429.450 3.941 40 10 IHCBRM CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018033587 569284155 /nfs/dbraw/zinc/28/41/55/569284155.db2.gz SIFVCQCQAKWGQN-VJBWXMMDSA-N -1 0 431.467 3.943 40 10 IHCBRM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)c(C)c1 ZINC000408533824 569583212 /nfs/dbraw/zinc/58/32/12/569583212.db2.gz PFOSXFSTWSCBBL-NTEUORMPSA-N -1 0 440.912 4.454 40 10 IHCBRM O=C([O-])/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1 ZINC000408634350 556014602 /nfs/dbraw/zinc/01/46/02/556014602.db2.gz PWUYYWZOSICKHK-LDADJPATSA-N -1 0 426.454 3.526 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408692340 556095648 /nfs/dbraw/zinc/09/56/48/556095648.db2.gz KGEUUHDMESBVHZ-DEDYPNTBSA-N -1 0 434.492 3.987 40 10 IHCBRM O=C([O-])CCCCCNC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000008870170 556228944 /nfs/dbraw/zinc/22/89/44/556228944.db2.gz HGEUKCBLRWLCRO-NRHDHWSESA-N -1 0 432.567 3.595 40 10 IHCBRM Cc1cccc(N2C(=O)/C(=C3\c4ccccc4N([C@H](C)C(=O)[O-])C3=O)SC2=S)c1C ZINC000008925873 556234150 /nfs/dbraw/zinc/23/41/50/556234150.db2.gz HRJUQRHIRUATLG-XAGMJWQQSA-N -1 0 438.530 3.899 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000009188661 556251642 /nfs/dbraw/zinc/25/16/42/556251642.db2.gz CHROOOMLITWDKH-PDGQHHTCSA-N -1 0 429.519 3.603 40 10 IHCBRM CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000408799952 556857842 /nfs/dbraw/zinc/85/78/42/556857842.db2.gz LZNDEQZXFAKJKA-MHWRWJLKSA-N -1 0 445.269 3.608 40 10 IHCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000408800965 556858304 /nfs/dbraw/zinc/85/83/04/556858304.db2.gz QNGFVJUFTJIWRS-OQLLNIDSSA-N -1 0 445.269 3.608 40 10 IHCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408804041 556859973 /nfs/dbraw/zinc/85/99/73/556859973.db2.gz CISMBSFOIRBFPK-CPNJWEJPSA-N -1 0 431.404 3.813 40 10 IHCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1 ZINC000408809181 556861897 /nfs/dbraw/zinc/86/18/97/556861897.db2.gz NJFMNKRKXRLKBB-HYARGMPZSA-N -1 0 428.444 3.946 40 10 IHCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC)C2=O)cc1 ZINC000408816403 556863640 /nfs/dbraw/zinc/86/36/40/556863640.db2.gz RTNVHXDVEBAOJA-SFQUDFHCSA-N -1 0 442.855 3.582 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408813508 556865050 /nfs/dbraw/zinc/86/50/50/556865050.db2.gz ULMGHNLQTATQBY-XSFVSMFZSA-N -1 0 443.415 3.840 40 10 IHCBRM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1OC ZINC000408850268 556870543 /nfs/dbraw/zinc/87/05/43/556870543.db2.gz JUCAXSLWCOUSEM-PKNBQFBNSA-N -1 0 437.304 3.842 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(O)c1 ZINC000408890685 556879028 /nfs/dbraw/zinc/87/90/28/556879028.db2.gz XPDFTLZDAFMMCK-FYJGNVAPSA-N -1 0 444.443 3.646 40 10 IHCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2O)C1=O ZINC000408898575 556883313 /nfs/dbraw/zinc/88/33/13/556883313.db2.gz XBXSFWDQIUIDLW-NTUHNPAUSA-N -1 0 435.661 3.783 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC(C)C ZINC000408908717 556887030 /nfs/dbraw/zinc/88/70/30/556887030.db2.gz CWAOZSIGRLRIRN-VIZOYTHASA-N -1 0 432.835 3.941 40 10 IHCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408957011 556900344 /nfs/dbraw/zinc/90/03/44/556900344.db2.gz ZRCMUNFOYIOQMM-VGOFMYFVSA-N -1 0 428.828 3.522 40 10 IHCBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000409024695 556925415 /nfs/dbraw/zinc/92/54/15/556925415.db2.gz UMKFPBLZRFRUOV-VGOFMYFVSA-N -1 0 434.876 3.718 40 10 IHCBRM O=C([O-])COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409066640 556941844 /nfs/dbraw/zinc/94/18/44/556941844.db2.gz BCVGLQVLRQXSIB-UHFFFAOYSA-N -1 0 442.427 3.733 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409095836 556953129 /nfs/dbraw/zinc/95/31/29/556953129.db2.gz DLUCRLOFLOEFGB-CPNJWEJPSA-N -1 0 447.516 3.634 40 10 IHCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)[N-]C1=S ZINC000409108279 556959551 /nfs/dbraw/zinc/95/95/51/556959551.db2.gz ZHKFRPMJBMVWFP-CUJDEGIUSA-N -1 0 427.869 3.944 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409142049 556972916 /nfs/dbraw/zinc/97/29/16/556972916.db2.gz ASHWDRGQBBAVDA-FYJGNVAPSA-N -1 0 444.447 3.664 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)C(=O)[N-]C1=S ZINC000409174026 556984734 /nfs/dbraw/zinc/98/47/34/556984734.db2.gz PZAAUKMNHZJLFO-GXDHUFHOSA-N -1 0 430.913 3.967 40 10 IHCBRM CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O ZINC000409200584 556999846 /nfs/dbraw/zinc/99/98/46/556999846.db2.gz IJWNXSSPPUGSBB-BOPFTXTBSA-N -1 0 428.466 3.550 40 10 IHCBRM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409217787 557012450 /nfs/dbraw/zinc/01/24/50/557012450.db2.gz WOPPJSZJULHRGL-XQNSMLJCSA-N -1 0 441.487 3.998 40 10 IHCBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000409228826 557015640 /nfs/dbraw/zinc/01/56/40/557015640.db2.gz FSATYCWKLGSODN-XSFVSMFZSA-N -1 0 433.508 3.969 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OC)c2O[C@@H](C)CC)C1=O ZINC000409238179 557019650 /nfs/dbraw/zinc/01/96/50/557019650.db2.gz LYPSCVJFJOMTTJ-JEFCNZTNSA-N -1 0 438.480 3.938 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)ccc1OC(C)C ZINC000409240203 557021260 /nfs/dbraw/zinc/02/12/60/557021260.db2.gz RWHPQGAXTRRYQN-GXDHUFHOSA-N -1 0 430.913 3.967 40 10 IHCBRM Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]C1=S ZINC000409232347 557024032 /nfs/dbraw/zinc/02/40/32/557024032.db2.gz OBPCNXXZYPGDAV-ATVHPVEESA-N -1 0 433.445 3.995 40 10 IHCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1 ZINC000409246663 557028277 /nfs/dbraw/zinc/02/82/77/557028277.db2.gz AAFVCGOCXZQWSK-CPNJWEJPSA-N -1 0 437.565 3.990 40 10 IHCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3OC)C2=O)cc1 ZINC000409251804 557036924 /nfs/dbraw/zinc/03/69/24/557036924.db2.gz QHTWCDRKDIKFQV-RCCKNPSSSA-N -1 0 433.508 3.914 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Cl)c1OC ZINC000409328324 557062577 /nfs/dbraw/zinc/06/25/77/557062577.db2.gz SEYLXTOFUBKUJP-JYRVWZFOSA-N -1 0 440.955 3.965 40 10 IHCBRM CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409352763 557079969 /nfs/dbraw/zinc/07/99/69/557079969.db2.gz ZDQPNHVFCXVFNF-APSNUPSMSA-N -1 0 446.462 3.834 40 10 IHCBRM COC(=O)c1ccc(C(=O)OC)c(N=C(C)c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1 ZINC000112290335 557238950 /nfs/dbraw/zinc/23/89/50/557238950.db2.gz NXCWMCAZRSKZKW-UNOMPAQXSA-N -1 0 425.416 3.508 40 10 IHCBRM O=C(Cn1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC1CC1 ZINC000059087199 557813765 /nfs/dbraw/zinc/81/37/65/557813765.db2.gz PPDPGDYCGYTGRK-XDHOZWIPSA-N -1 0 434.496 3.555 40 10 IHCBRM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1 ZINC000059104555 557814270 /nfs/dbraw/zinc/81/42/70/557814270.db2.gz NTCMSZHRHOUPBN-LICLKQGHSA-N -1 0 437.452 3.777 40 10 IHCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 ZINC000059138946 557816481 /nfs/dbraw/zinc/81/64/81/557816481.db2.gz LQJVHZBNGHISOZ-CPNJWEJPSA-N -1 0 430.416 3.962 40 10 IHCBRM N=C1/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000026593287 568888210 /nfs/dbraw/zinc/88/82/10/568888210.db2.gz RHXOQJJKEHPGRU-MYEDEKDNSA-N -1 0 434.355 3.826 40 10 IHCBRM O=C([O-])c1ccc(Cn2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000034807107 569260012 /nfs/dbraw/zinc/26/00/12/569260012.db2.gz RNSQXZAWJOZWNQ-HMAPJEAMSA-N -1 0 437.455 3.849 40 10 IHCBRM C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)SC1=S ZINC000108976954 569260901 /nfs/dbraw/zinc/26/09/01/569260901.db2.gz ZIBRXHLHIOTJCD-YVLHZVERSA-N -1 0 431.491 3.953 40 10 IHCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000004106582 132269691 /nfs/dbraw/zinc/26/96/91/132269691.db2.gz YUFOTZPLTPKRQT-JAIQZWGSSA-N -1 0 443.459 3.798 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)[N-]C2=S)cc1 ZINC000006405195 536659931 /nfs/dbraw/zinc/65/99/31/536659931.db2.gz VEDZYRAAGAMWHG-UYRXBGFRSA-N -1 0 437.908 3.971 40 10 IHCBRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(N)=O ZINC000408584547 555937244 /nfs/dbraw/zinc/93/72/44/555937244.db2.gz RDUUSVOGLWLYSI-UHFFFAOYSA-N -1 0 428.897 3.779 40 10 IHCBRM CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870192 556229265 /nfs/dbraw/zinc/22/92/65/556229265.db2.gz LYZYPVKDCKYXLF-IMEUCPQMSA-N -1 0 446.594 3.984 40 10 IHCBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=O ZINC000008870194 556229313 /nfs/dbraw/zinc/22/93/13/556229313.db2.gz QHCHMPDECJMRLX-PSCYKVLVSA-N -1 0 446.594 3.840 40 10 IHCBRM Cc1cccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408797602 556857477 /nfs/dbraw/zinc/85/74/77/556857477.db2.gz GSXIRDFBKRUVBT-KGENOOAVSA-N -1 0 428.444 3.946 40 10 IHCBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000408805137 556860494 /nfs/dbraw/zinc/86/04/94/556860494.db2.gz IRUCNXBKKMTGFD-LFIBNONCSA-N -1 0 445.269 3.610 40 10 IHCBRM CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000408834796 556866980 /nfs/dbraw/zinc/86/69/80/556866980.db2.gz LZRCHHOLPXVKEF-GXDHUFHOSA-N -1 0 444.871 3.812 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408884705 556877673 /nfs/dbraw/zinc/87/76/73/556877673.db2.gz UYARFHGSLOPDAW-DHDCSXOGSA-N -1 0 430.913 3.967 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCCC)c(OC)c3)C2=O)cc1 ZINC000408896631 556881157 /nfs/dbraw/zinc/88/11/57/556881157.db2.gz GSEQDZMJIROILR-RGEXLXHISA-N -1 0 438.480 3.939 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 ZINC000408893444 556881802 /nfs/dbraw/zinc/88/18/02/556881802.db2.gz APBKRQUMJCFOQK-DHDCSXOGSA-N -1 0 430.844 3.509 40 10 IHCBRM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000408954629 556899056 /nfs/dbraw/zinc/89/90/56/556899056.db2.gz UFLCRGPTENSINZ-XSFVSMFZSA-N -1 0 431.517 3.934 40 10 IHCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)c1 ZINC000409073412 556946457 /nfs/dbraw/zinc/94/64/57/556946457.db2.gz HNFMVRDYMAENFC-LDADJPATSA-N -1 0 439.512 3.656 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)[N-]C1=S ZINC000409167415 556982660 /nfs/dbraw/zinc/98/26/60/556982660.db2.gz JYNXMZMGTVPITM-DTQAZKPQSA-N -1 0 439.512 3.656 40 10 IHCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409195264 556993719 /nfs/dbraw/zinc/99/37/19/556993719.db2.gz NZZQTOOKVZTBFK-UNOMPAQXSA-N -1 0 436.468 3.715 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409249347 557029859 /nfs/dbraw/zinc/02/98/59/557029859.db2.gz KGYLXWIYGNGCDG-XDHOZWIPSA-N -1 0 430.533 3.937 40 10 IHCBRM CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000409379399 557094276 /nfs/dbraw/zinc/09/42/76/557094276.db2.gz WSVPREMDNPYVHR-XSFVSMFZSA-N -1 0 446.488 3.779 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409389966 557100962 /nfs/dbraw/zinc/10/09/62/557100962.db2.gz DBOZJHPPRVSITD-XNTDXEJSSA-N -1 0 438.783 3.570 40 10 IHCBRM COC(=O)c1cc(N=C(C)c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc(C(=O)OC)c1 ZINC000112290567 557238803 /nfs/dbraw/zinc/23/88/03/557238803.db2.gz IVGPQPABALXFGL-UNOMPAQXSA-N -1 0 425.416 3.508 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)ccc1OCCc1ccccc1 ZINC000001281947 568776280 /nfs/dbraw/zinc/77/62/80/568776280.db2.gz KZEKNXVPDCACAT-QIQQCEGHSA-N -1 0 443.546 3.991 40 10 IHCBRM Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000107884863 569260705 /nfs/dbraw/zinc/26/07/05/569260705.db2.gz HHOWSMJHEAFGLC-ZHZULCJRSA-N -1 0 443.415 3.584 40 10 IHCBRM COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C)C(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000028296968 569409716 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COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1 ZINC000033668580 569259548 /nfs/dbraw/zinc/25/95/48/569259548.db2.gz WTUKLKXITMLWSG-ZHZULCJRSA-N -1 0 445.431 3.644 40 10 IHCBRM Cc1cccc(COc2c(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cccc2[N+](=O)[O-])c1 ZINC000033720789 569259784 /nfs/dbraw/zinc/25/97/84/569259784.db2.gz PDXMHWCLXBIRFW-ZHZULCJRSA-N -1 0 429.432 3.944 40 10 IHCBRM N#Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000107921937 569260611 /nfs/dbraw/zinc/26/06/11/569260611.db2.gz DPPJVXSEVCKLRQ-BKUYFWCQSA-N -1 0 440.415 3.507 40 10 IHCBRM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])CCCCCCC2 ZINC000035861218 521417276 /nfs/dbraw/zinc/41/72/76/521417276.db2.gz UMAMRECRQJXFCC-NONVJHHQSA-N -1 0 435.542 3.791 40 10 IHCBRM CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870197 556229238 /nfs/dbraw/zinc/22/92/38/556229238.db2.gz SKMDNRTXDZVRRV-NKFHPSDHSA-N -1 0 446.594 3.840 40 10 IHCBRM 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/nfs/dbraw/zinc/16/18/37/557161837.db2.gz PDBKUQGCTVJEDJ-PDGQHHTCSA-N -1 0 440.477 3.694 40 10 IHCBRM Cn1c2ccccc2c([O-])c(C(=O)C[C@@H](Nc2cccc(N)c2)c2ccccc2O)c1=O ZINC000104827615 557328808 /nfs/dbraw/zinc/32/88/08/557328808.db2.gz PWCLXBPWHBOFQQ-LJQANCHMSA-N -1 0 429.476 3.958 40 10 IHCBRM CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000014903972 557455625 /nfs/dbraw/zinc/45/56/25/557455625.db2.gz JCUZKZAZVIBWGE-WOJGMQOQSA-N -1 0 428.535 3.900 40 10 IHCBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 ZINC000059138929 557816529 /nfs/dbraw/zinc/81/65/29/557816529.db2.gz DIPLZKHRLWHACD-CPNJWEJPSA-N -1 0 430.416 3.962 40 10 IHCBRM COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Br)c1OC ZINC000101639737 568791974 /nfs/dbraw/zinc/79/19/74/568791974.db2.gz MWBDMCZXAFHMMG-VIZOYTHASA-N -1 0 445.269 3.971 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1 ZINC000033784295 569259967 /nfs/dbraw/zinc/25/99/67/569259967.db2.gz INBOWYGPKJPZHD-UNOMPAQXSA-N -1 0 445.431 3.644 40 10 IHCBRM CCOc1ccc(NC2=NC(=O)C(=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])S2)cc1 ZINC000208490459 569261416 /nfs/dbraw/zinc/26/14/16/569261416.db2.gz VPMABLJQRPACMC-NVNXTCNLSA-N -1 0 430.398 3.690 40 10 IHCBRM COc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc(OC)c1OC ZINC000027530365 569265407 /nfs/dbraw/zinc/26/54/07/569265407.db2.gz WXZHYTMSKMILJW-LZYBPNLTSA-N -1 0 447.490 3.522 40 10 IHCBRM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3O4)c2C(=O)OC)C1 ZINC000020568741 521366325 /nfs/dbraw/zinc/36/63/25/521366325.db2.gz DIMFTUHFTPGNFD-CMBFZQBHSA-N -1 0 449.569 3.893 40 10 IHCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccccc1 ZINC000408536135 555759000 /nfs/dbraw/zinc/75/90/00/555759000.db2.gz PWFBNXJFMCJGAL-VKAVYKQESA-N -1 0 430.391 3.711 40 10 IHCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000009259575 556267678 /nfs/dbraw/zinc/26/76/78/556267678.db2.gz ZUYRBGHWSOJHHD-JCMHNJIXSA-N -1 0 434.540 3.955 40 10 IHCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OC(C)C)C2=O)cc1 ZINC000408800417 556857980 /nfs/dbraw/zinc/85/79/80/556857980.db2.gz PCOPHDWSJFPGPB-GZTJUZNOSA-N -1 0 442.855 3.580 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408802854 556859791 /nfs/dbraw/zinc/85/97/91/556859791.db2.gz IGODBNCZZWBRNK-DEDYPNTBSA-N -1 0 444.443 3.646 40 10 IHCBRM CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408811448 556862696 /nfs/dbraw/zinc/86/26/96/556862696.db2.gz LHZMOZNLSHAOGP-CXUHLZMHSA-N -1 0 429.816 3.702 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC)c(OC)c3)C2=O)cc1 ZINC000408815458 556863320 /nfs/dbraw/zinc/86/33/20/556863320.db2.gz WWNUJZVEXAHOML-MHWRWJLKSA-N -1 0 444.871 3.812 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1cccc(F)c1 ZINC000408873935 556875722 /nfs/dbraw/zinc/87/57/22/556875722.db2.gz XMQLCGUGRAVDGQ-FYJGNVAPSA-N -1 0 446.434 3.797 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCC ZINC000408876662 556876976 /nfs/dbraw/zinc/87/69/76/556876976.db2.gz MZSTZAJWAKEDCH-LCYFTJDESA-N -1 0 432.835 3.943 40 10 IHCBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)o1 ZINC000408912230 556888478 /nfs/dbraw/zinc/88/84/78/556888478.db2.gz DRLYSQGCXYGIDE-WOJGMQOQSA-N -1 0 435.367 3.969 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000408951150 556898122 /nfs/dbraw/zinc/89/81/22/556898122.db2.gz HVYDCNXLBJFFNJ-CJLVFECKSA-N -1 0 444.491 3.608 40 10 IHCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)[N-]C2=S)c1 ZINC000408961363 556900874 /nfs/dbraw/zinc/90/08/74/556900874.db2.gz SCJCVEWAAWVWKZ-KGENOOAVSA-N -1 0 435.549 3.825 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OC ZINC000408986104 556909148 /nfs/dbraw/zinc/90/91/48/556909148.db2.gz ZOHFPLDLIJSMAU-YBEGLDIGSA-N -1 0 428.872 3.976 40 10 IHCBRM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c1OC(C)C ZINC000409014474 556920217 /nfs/dbraw/zinc/92/02/17/556920217.db2.gz PMFNGMXNNQXDTL-MHWRWJLKSA-N -1 0 430.913 3.967 40 10 IHCBRM COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000409087066 556950660 /nfs/dbraw/zinc/95/06/60/556950660.db2.gz ITWBPWQZUYDMJQ-VMSYHEBLSA-N -1 0 435.841 3.896 40 10 IHCBRM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 ZINC000019936618 556951204 /nfs/dbraw/zinc/95/12/04/556951204.db2.gz JRXIBCOOKDOHOV-UHFFFAOYSA-N -1 0 442.880 3.817 40 10 IHCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1OC ZINC000409135885 556969343 /nfs/dbraw/zinc/96/93/43/556969343.db2.gz WGKFRDREUGAZOQ-LFIBNONCSA-N -1 0 444.871 3.505 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409200265 556999572 /nfs/dbraw/zinc/99/95/72/556999572.db2.gz HTVMSFYEJISFKH-LDADJPATSA-N -1 0 446.419 3.642 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(CC)CC)cc2OC)C1=O ZINC000409229275 557015575 /nfs/dbraw/zinc/01/55/75/557015575.db2.gz MLUXNFRBXXOROR-NBVRZTHBSA-N -1 0 437.496 3.607 40 10 IHCBRM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(=O)[N-]C1=S ZINC000409235858 557018004 /nfs/dbraw/zinc/01/80/04/557018004.db2.gz CQRMAKFIOWHPSR-XMHGGMMESA-N -1 0 430.533 3.883 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000033430099 569259350 /nfs/dbraw/zinc/25/93/50/569259350.db2.gz PNNFNEUVPCHICU-NDENLUEZSA-N -1 0 448.450 3.883 40 10 IHCBRM Cc1ccc(COc2c(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 ZINC000033720791 569259789 /nfs/dbraw/zinc/25/97/89/569259789.db2.gz NQZXXUHDNBBITA-ZHZULCJRSA-N -1 0 429.432 3.944 40 10 IHCBRM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S ZINC000012275231 526305670 /nfs/dbraw/zinc/30/56/70/526305670.db2.gz JKXPSLRGOINWPI-OQZOHAQUSA-N -1 0 438.324 3.939 40 10 IHCBRM Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000001183151 555672812 /nfs/dbraw/zinc/67/28/12/555672812.db2.gz WJWBVNIJPMKGJW-GZTJUZNOSA-N -1 0 426.519 3.923 40 10 IHCBRM Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc([N+](=O)[O-])c1C ZINC000408526429 555715704 /nfs/dbraw/zinc/71/57/04/555715704.db2.gz BHMPHICXXRQOPA-LDADJPATSA-N -1 0 430.420 3.944 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000035103642 555772399 /nfs/dbraw/zinc/77/23/99/555772399.db2.gz SDZKVFZIQDNFKS-PDGQHHTCSA-N -1 0 433.395 3.774 40 10 IHCBRM Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1Br ZINC000408536628 555773256 /nfs/dbraw/zinc/77/32/56/555773256.db2.gz WWZOUGHMKVJITA-FMIVXFBMSA-N -1 0 434.677 3.990 40 10 IHCBRM COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Cl ZINC000408551189 555858902 /nfs/dbraw/zinc/85/89/02/555858902.db2.gz MDSUERCXOVZBEI-FLIBITNWSA-N -1 0 440.283 3.885 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OC ZINC000035377372 556088944 /nfs/dbraw/zinc/08/89/44/556088944.db2.gz SQBFMXGCNDZCSG-WQLSENKSSA-N -1 0 437.677 3.581 40 10 IHCBRM CC1(C)Cc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)ccc2O1 ZINC000408710940 556118390 /nfs/dbraw/zinc/11/83/90/556118390.db2.gz YYEXWFUOWCPPEV-MHWRWJLKSA-N -1 0 441.281 3.829 40 10 IHCBRM CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870172 556228949 /nfs/dbraw/zinc/22/89/49/556228949.db2.gz GURDSRCENGNFMG-CKZSGOLTSA-N -1 0 432.567 3.594 40 10 IHCBRM CCCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870173 556229242 /nfs/dbraw/zinc/22/92/42/556229242.db2.gz GURDSRCENGNFMG-IUBUSRKXSA-N -1 0 432.567 3.594 40 10 IHCBRM Cc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000033337369 556562030 /nfs/dbraw/zinc/56/20/30/556562030.db2.gz SHQGFARXYGJOBG-RIYZIHGNSA-N -1 0 430.869 3.783 40 10 IHCBRM Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O ZINC000408757933 556587417 /nfs/dbraw/zinc/58/74/17/556587417.db2.gz SMCSUCVDEXUDIC-PXLXIMEGSA-N -1 0 442.519 3.810 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000016399895 556605209 /nfs/dbraw/zinc/60/52/09/556605209.db2.gz RYTXVGMVQZQKPF-SDQBBNPISA-N -1 0 432.186 3.570 40 10 IHCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000408766232 556829702 /nfs/dbraw/zinc/82/97/02/556829702.db2.gz AMTCAROPTIGXCB-KPKJPENVSA-N -1 0 439.733 3.933 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408801174 556858566 /nfs/dbraw/zinc/85/85/66/556858566.db2.gz RYLBBRTZUJPNME-PXLXIMEGSA-N -1 0 428.444 3.941 40 10 IHCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000408801688 556858614 /nfs/dbraw/zinc/85/86/14/556858614.db2.gz WXVVFQYCLWFEDA-XNTDXEJSSA-N -1 0 429.270 3.741 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1Br ZINC000408802608 556859294 /nfs/dbraw/zinc/85/92/94/556859294.db2.gz ZIZIAFSCFWAOST-NTEUORMPSA-N -1 0 429.270 3.741 40 10 IHCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408805284 556860800 /nfs/dbraw/zinc/86/08/00/556860800.db2.gz FUPTXVSPDBOMEU-OQLLNIDSSA-N -1 0 429.816 3.703 40 10 IHCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408855083 556871831 /nfs/dbraw/zinc/87/18/31/556871831.db2.gz DEBBUFZKGJTVGE-LFYBBSHMSA-N -1 0 449.246 3.787 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c(Cc2cccc(F)c2)c1 ZINC000408873690 556875617 /nfs/dbraw/zinc/87/56/17/556875617.db2.gz WGBGDHTYSSEGKM-HYARGMPZSA-N -1 0 446.434 3.797 40 10 IHCBRM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCC(=O)[O-] ZINC000408903501 556886127 /nfs/dbraw/zinc/88/61/27/556886127.db2.gz YUZKQWHAGHEHGW-OVCLIPMQSA-N -1 0 445.269 3.727 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000409019697 556924046 /nfs/dbraw/zinc/92/40/46/556924046.db2.gz WGZJMWWNNFNMJN-RGVLZGJSSA-N -1 0 435.480 3.770 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cccc(Oc2nc(Cl)ncc2F)c1 ZINC000409066610 556941913 /nfs/dbraw/zinc/94/19/13/556941913.db2.gz WIGNDVPIEMFSQC-XNTDXEJSSA-N -1 0 438.802 3.728 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c4ccccc34)C(=O)[N-]C2=S)c(OC)c1 ZINC000409100670 556955182 /nfs/dbraw/zinc/95/51/82/556955182.db2.gz RJLIPAUMLCNBMF-LDADJPATSA-N -1 0 448.500 3.697 40 10 IHCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409137140 556969969 /nfs/dbraw/zinc/96/99/69/556969969.db2.gz UCYADXBGHSPANE-VIZOYTHASA-N -1 0 435.299 3.978 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2C)C(=O)[N-]C1=S ZINC000409172096 556984018 /nfs/dbraw/zinc/98/40/18/556984018.db2.gz HGILGZHZXMPKHM-NBVRZTHBSA-N -1 0 431.517 3.934 40 10 IHCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OC)C2=O)cc1OCC ZINC000409189540 556995743 /nfs/dbraw/zinc/99/57/43/556995743.db2.gz HQTMPIQWMZGDDW-NBVRZTHBSA-N -1 0 438.480 3.545 40 10 IHCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2C)cc1 ZINC000409205341 557003393 /nfs/dbraw/zinc/00/33/93/557003393.db2.gz PVYLGNNTEOKGAJ-STZFKDTASA-N -1 0 449.507 3.675 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC)c(OC)c2)C1=O ZINC000409221580 557016847 /nfs/dbraw/zinc/01/68/47/557016847.db2.gz SFKWABKSGKZJHP-GXDHUFHOSA-N -1 0 444.871 3.812 40 10 IHCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(OCC)c1 ZINC000409237308 557019188 /nfs/dbraw/zinc/01/91/88/557019188.db2.gz HWUSANFOWOOYHV-RVDMUPIBSA-N -1 0 430.913 3.969 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409249599 557030233 /nfs/dbraw/zinc/03/02/33/557030233.db2.gz UVBFUGYAKUSBIL-OQLLNIDSSA-N -1 0 438.783 3.570 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1 ZINC000409372303 557089979 /nfs/dbraw/zinc/08/99/79/557089979.db2.gz JYPSSYOEXAAAAL-DEDYPNTBSA-N -1 0 446.459 3.919 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409392466 557096933 /nfs/dbraw/zinc/09/69/33/557096933.db2.gz MTBLSSINUNEDGA-LICLKQGHSA-N -1 0 438.846 3.948 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3I)C2=O)cc1C ZINC000108203626 557498600 /nfs/dbraw/zinc/49/86/00/557498600.db2.gz FVHRMOZOJCYHEB-XNTDXEJSSA-N -1 0 446.244 3.574 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OC(C)C ZINC000096893032 557838782 /nfs/dbraw/zinc/83/87/82/557838782.db2.gz FBRHJWLBNNEGNP-DHDCSXOGSA-N -1 0 431.286 3.706 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccccc1F ZINC000108243795 569260962 /nfs/dbraw/zinc/26/09/62/569260962.db2.gz DQAOJPNHXPCXGP-AQTBWJFISA-N -1 0 433.395 3.774 40 10 IHCBRM COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000206838228 569261217 /nfs/dbraw/zinc/26/12/17/569261217.db2.gz TZFFBYCJYDHNBN-WOJGMQOQSA-N -1 0 444.534 3.630 40 10 IHCBRM O=C1C(=NNc2c(O)ccc3cc(S(=O)(=O)[O-])ccc32)C=C([N+](=O)[O-])C=C1[N+](=O)[O-] ZINC000004758328 556009995 /nfs/dbraw/zinc/00/99/95/556009995.db2.gz FTUJGONXWXGSFD-ISLYRVAYSA-N -1 0 434.342 3.730 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408692222 556095028 /nfs/dbraw/zinc/09/50/28/556095028.db2.gz HPNMJXLOWSVNIO-DEDYPNTBSA-N -1 0 435.436 3.578 40 10 IHCBRM CCOc1cccc(N2C(=O)/C(=C/c3cccc(Br)c3)C(=O)[N-]C2=S)c1 ZINC000408740212 556211962 /nfs/dbraw/zinc/21/19/62/556211962.db2.gz DVURNKLSKNQEDY-MHWRWJLKSA-N -1 0 431.311 3.679 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)c1 ZINC000408741341 556213899 /nfs/dbraw/zinc/21/38/99/556213899.db2.gz LIAYYPHFCHWJCK-CXUHLZMHSA-N -1 0 431.311 3.597 40 10 IHCBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)NCCCCCC(=O)[O-])C1=O ZINC000008870188 556229261 /nfs/dbraw/zinc/22/92/61/556229261.db2.gz OTFMNHLBOFKSLY-FLNGBNSUSA-N -1 0 446.594 3.985 40 10 IHCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000009310862 556279211 /nfs/dbraw/zinc/27/92/11/556279211.db2.gz NEDYUKDMAIHSPX-MTJSOVHGSA-N -1 0 444.447 3.977 40 10 IHCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1O ZINC000016688252 556626064 /nfs/dbraw/zinc/62/60/64/556626064.db2.gz YOTOLDMPVDKGKC-MLPAPPSSSA-N -1 0 431.788 3.859 40 10 IHCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408810111 556862077 /nfs/dbraw/zinc/86/20/77/556862077.db2.gz LPBONZVXELNGLR-CXUHLZMHSA-N -1 0 444.871 3.811 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1ccccc1F ZINC000408880941 556878228 /nfs/dbraw/zinc/87/82/28/556878228.db2.gz KQEZWIAZUCMOCM-UDWIEESQSA-N -1 0 446.434 3.797 40 10 IHCBRM COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCC(=O)[O-] ZINC000409083144 556948078 /nfs/dbraw/zinc/94/80/78/556948078.db2.gz KOYHNALDHATOEB-ZHZULCJRSA-N -1 0 428.444 3.993 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409197060 556994716 /nfs/dbraw/zinc/99/47/16/556994716.db2.gz VBHUFMGWORCZJT-UVTDQMKNSA-N -1 0 429.816 3.913 40 10 IHCBRM CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O ZINC000409215012 557009662 /nfs/dbraw/zinc/00/96/62/557009662.db2.gz ZSUGAXACSCPVSH-RQZCQDPDSA-N -1 0 429.450 3.880 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C)cn3)c2C)C1=O ZINC000409232380 557024105 /nfs/dbraw/zinc/02/41/05/557024105.db2.gz OMHUJJPKULGDJB-CPNJWEJPSA-N -1 0 444.491 3.863 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409233517 557024972 /nfs/dbraw/zinc/02/49/72/557024972.db2.gz KXGCVWHMDCOHFH-ZROIWOOFSA-N -1 0 438.783 3.570 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O ZINC000409234619 557025933 /nfs/dbraw/zinc/02/59/33/557025933.db2.gz ODUMWLZOJNKKJD-RIYZIHGNSA-N -1 0 436.411 3.641 40 10 IHCBRM O=C([O-])COc1cccc(C=C2SC(Nc3ccccc3Br)=NC2=O)c1 ZINC000016909760 557475939 /nfs/dbraw/zinc/47/59/39/557475939.db2.gz IHXJHHWBSNLOCP-OQLLNIDSSA-N -1 0 433.283 3.995 40 10 IHCBRM Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000059138784 557816469 /nfs/dbraw/zinc/81/64/69/557816469.db2.gz HADZAJUCTZGINQ-XSFVSMFZSA-N -1 0 443.459 3.801 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1ccc(C)cc1 ZINC000026531247 568862888 /nfs/dbraw/zinc/86/28/88/568862888.db2.gz FNGKXTZHVRZQJH-ZDLGFXPLSA-N -1 0 429.519 3.868 40 10 IHCBRM CC(C)OC(=O)COc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033525667 569259344 /nfs/dbraw/zinc/25/93/44/569259344.db2.gz IDXOZBSGRLSWBQ-STZFKDTASA-N -1 0 430.460 3.632 40 10 IHCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000107833389 569260647 /nfs/dbraw/zinc/26/06/47/569260647.db2.gz GDYSLBBQMYLLGU-ZHZULCJRSA-N -1 0 447.878 3.819 40 10 IHCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3OC)C(=O)[N-]C2=S)cc1 ZINC000108934041 569260934 /nfs/dbraw/zinc/26/09/34/569260934.db2.gz KBBJWXRGPYFHLL-XSFVSMFZSA-N -1 0 437.565 3.935 40 10 IHCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C)C2=O)c(C)cc1Br ZINC000408530868 555726665 /nfs/dbraw/zinc/72/66/65/555726665.db2.gz MYNQNLSBWFVDHW-GXDHUFHOSA-N -1 0 428.286 3.953 40 10 IHCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3I)C2=O)c1 ZINC000408549980 555831399 /nfs/dbraw/zinc/83/13/99/555831399.db2.gz CJVIYDPFDLDWPE-XNTDXEJSSA-N -1 0 446.244 3.574 40 10 IHCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408692778 556092322 /nfs/dbraw/zinc/09/23/22/556092322.db2.gz VDQOMSAIWXIEHD-DEDYPNTBSA-N -1 0 435.436 3.578 40 10 IHCBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408756821 556236866 /nfs/dbraw/zinc/23/68/66/556236866.db2.gz JXAZOVYNXYAKEZ-FYJGNVAPSA-N -1 0 443.507 3.993 40 10 IHCBRM COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C(F)(F)F)ccc1OC(C)=O ZINC000032099623 556528747 /nfs/dbraw/zinc/52/87/47/556528747.db2.gz ZVCIEVDSZVFHHF-DHDCSXOGSA-N -1 0 448.353 3.667 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1N1CCCCC1 ZINC000016269094 556596261 /nfs/dbraw/zinc/59/62/61/556596261.db2.gz KJIMMDOFLAYTFB-KGENOOAVSA-N -1 0 436.581 3.675 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1C ZINC000016312228 556599753 /nfs/dbraw/zinc/59/97/53/556599753.db2.gz IQEMFRBMRQXFRO-XDHOZWIPSA-N -1 0 436.512 3.878 40 10 IHCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)c1C ZINC000016349978 556601987 /nfs/dbraw/zinc/60/19/87/556601987.db2.gz SHCLLEMEMRFKBY-PDGQHHTCSA-N -1 0 436.512 3.878 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1 ZINC000408766146 556829723 /nfs/dbraw/zinc/82/97/23/556829723.db2.gz PGWZSHSBURAYHF-PDGQHHTCSA-N -1 0 449.444 3.695 40 10 IHCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000408771752 556847526 /nfs/dbraw/zinc/84/75/26/556847526.db2.gz CJYLMBJRGOPFAQ-JYRVWZFOSA-N -1 0 435.661 3.778 40 10 IHCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c(OC)cc1Cl ZINC000408829256 556866661 /nfs/dbraw/zinc/86/66/61/556866661.db2.gz FHKAVMPFUFBHSF-OQLLNIDSSA-N -1 0 444.871 3.811 40 10 IHCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCC)C2=O)cc1 ZINC000408900103 556882027 /nfs/dbraw/zinc/88/20/27/556882027.db2.gz RMVLUTOKRBLYJD-ZHZULCJRSA-N -1 0 438.480 3.939 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000408935106 556895460 /nfs/dbraw/zinc/89/54/60/556895460.db2.gz GSGMQKLPFARQAH-MOSHPQCFSA-N -1 0 432.407 3.777 40 10 IHCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408948233 556898692 /nfs/dbraw/zinc/89/86/92/556898692.db2.gz FCOFYJHHAQHBLE-AZZDOICSSA-N -1 0 442.855 3.912 40 10 IHCBRM Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c(C)c1 ZINC000408955494 556899343 /nfs/dbraw/zinc/89/93/43/556899343.db2.gz XLHJYVABFBNVMF-RCCKNPSSSA-N -1 0 444.560 3.991 40 10 IHCBRM COc1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408965329 556902517 /nfs/dbraw/zinc/90/25/17/556902517.db2.gz KFZCSMXKYDVROE-GFJWLWTISA-N -1 0 427.254 3.680 40 10 IHCBRM CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408981807 556908007 /nfs/dbraw/zinc/90/80/07/556908007.db2.gz CQKIGJCMDGRJFF-YBEGLDIGSA-N -1 0 428.872 3.976 40 10 IHCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)cc1 ZINC000408983211 556908245 /nfs/dbraw/zinc/90/82/45/556908245.db2.gz GFXWCGFZZHQEID-GDNBJRDFSA-N -1 0 429.270 3.687 40 10 IHCBRM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408993005 556912675 /nfs/dbraw/zinc/91/26/75/556912675.db2.gz UMKSLFXVGAXPHH-UHFFFAOYSA-N -1 0 433.439 3.562 40 10 IHCBRM COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc([N+](=O)[O-])c1[O-] ZINC000409037340 556929004 /nfs/dbraw/zinc/92/90/04/556929004.db2.gz NEZLNDDDZOLXNY-FPYGCLRLSA-N -1 0 443.284 3.811 40 10 IHCBRM CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409095148 556950347 /nfs/dbraw/zinc/95/03/47/556950347.db2.gz GYCQPNOILMNDLI-RFRKOGIWSA-N -1 0 440.521 3.712 40 10 IHCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409139498 556971378 /nfs/dbraw/zinc/97/13/78/556971378.db2.gz NYCAPQLIOHLBEF-NVNXTCNLSA-N -1 0 435.299 3.978 40 10 IHCBRM COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4OC)C3=O)c2c1 ZINC000409166829 556982457 /nfs/dbraw/zinc/98/24/57/556982457.db2.gz GZMAZZDPSQAFDR-QGOAFFKASA-N -1 0 448.500 3.697 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409249361 557030063 /nfs/dbraw/zinc/03/00/63/557030063.db2.gz UEEUNZAQZCBBDR-WOJGMQOQSA-N -1 0 436.924 3.974 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409392093 557096450 /nfs/dbraw/zinc/09/64/50/557096450.db2.gz KVXIRUPYZCZTBF-WJDWOHSUSA-N -1 0 438.237 3.771 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000409410589 557103482 /nfs/dbraw/zinc/10/34/82/557103482.db2.gz YBBSFUHVMJOPTR-ZHZULCJRSA-N -1 0 428.444 3.684 40 10 IHCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OC(=O)c1ccccc1 ZINC000013602872 557380586 /nfs/dbraw/zinc/38/05/86/557380586.db2.gz IQLFRFPTUNNCGC-BOPFTXTBSA-N -1 0 443.502 3.590 40 10 IHCBRM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000033539295 557409350 /nfs/dbraw/zinc/40/93/50/557409350.db2.gz IPUVVBUFSFNDII-CHHVJCJISA-N -1 0 448.909 3.584 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1O ZINC000014132687 557421504 /nfs/dbraw/zinc/42/15/04/557421504.db2.gz MQUZEBCZJNBRPZ-MDWZMJQESA-N -1 0 445.269 3.528 40 10 IHCBRM CCOc1cc(C=C2SC(Nc3ccc(OC)cc3)=NC2=O)ccc1OCC(=O)[O-] ZINC000016916163 557475952 /nfs/dbraw/zinc/47/59/52/557475952.db2.gz PIVPDINAXMWGIB-WOJGMQOQSA-N -1 0 428.466 3.640 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 ZINC000059106165 557820276 /nfs/dbraw/zinc/82/02/76/557820276.db2.gz FUFQACHSORNTPE-XGICHPGQSA-N -1 0 433.189 3.824 40 10 IHCBRM C/C=C/c1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(OCC)c3)C2=O)cc(OC)c1O ZINC000059565401 557823967 /nfs/dbraw/zinc/82/39/67/557823967.db2.gz OWLQEOQFOSTYSW-NDPDXPSBSA-N -1 0 438.505 3.664 40 10 IHCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3Cl)C(=O)[N-]C2=S)cc1 ZINC000107802848 569251349 /nfs/dbraw/zinc/25/13/49/569251349.db2.gz KGQZGEKUAIWLET-OQLLNIDSSA-N -1 0 430.913 3.751 40 10 IHCBRM N#Cc1ccccc1COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000034707128 569260020 /nfs/dbraw/zinc/26/00/20/569260020.db2.gz JZVCPAZQAZGDJI-NDENLUEZSA-N -1 0 440.415 3.507 40 10 IHCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000208678565 569261335 /nfs/dbraw/zinc/26/13/35/569261335.db2.gz HOJCPDDNBDUXOV-BKUYFWCQSA-N -1 0 444.447 3.977 40 10 IHCBRM N=C1/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000041076733 569526510 /nfs/dbraw/zinc/52/65/10/569526510.db2.gz QORCXGLWRYIKSE-HUMIGVHUSA-N -1 0 432.417 3.905 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1nc(-c2ccccc2)cs1 ZINC000408537113 569584120 /nfs/dbraw/zinc/58/41/20/569584120.db2.gz ZEMTZMMGJOOMNX-QGOAFFKASA-N -1 0 440.484 4.542 40 10 IHCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccco1 ZINC000408537849 555782904 /nfs/dbraw/zinc/78/29/04/555782904.db2.gz XQYMSUYCGNHAHC-VBKFSLOCSA-N -1 0 436.807 3.819 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2 ZINC000408550744 555852007 /nfs/dbraw/zinc/85/20/07/555852007.db2.gz JNENFTWEXKAMHK-GDNBJRDFSA-N -1 0 433.936 3.669 40 10 IHCBRM COc1cccc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)c1OCC(=O)[O-] ZINC000015016233 556485508 /nfs/dbraw/zinc/48/55/08/556485508.db2.gz ZRTVMEXCXNZTQB-YBEGLDIGSA-N -1 0 432.885 3.919 40 10 IHCBRM Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000036716408 556599767 /nfs/dbraw/zinc/59/97/67/556599767.db2.gz RNLQFBYNXGMURH-LICLKQGHSA-N -1 0 443.506 3.839 40 10 IHCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408802094 556858017 /nfs/dbraw/zinc/85/80/17/556858017.db2.gz CWRJZUFBBSPBQH-GZTJUZNOSA-N -1 0 429.270 3.903 40 10 IHCBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408811104 556862372 /nfs/dbraw/zinc/86/23/72/556862372.db2.gz NLCJGAUHCIANQR-FOWTUZBSSA-N -1 0 429.270 3.904 40 10 IHCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)o1 ZINC000408815264 556862912 /nfs/dbraw/zinc/86/29/12/556862912.db2.gz UTXBMWYBEGNZIM-RVDMUPIBSA-N -1 0 432.274 3.555 40 10 IHCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408815733 556863229 /nfs/dbraw/zinc/86/32/29/556863229.db2.gz UIAWMUJYTHICJO-XSFVSMFZSA-N -1 0 444.443 3.692 40 10 IHCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1 ZINC000408823809 556865658 /nfs/dbraw/zinc/86/56/58/556865658.db2.gz FEWRBIXFIPOHDQ-XNTDXEJSSA-N -1 0 444.871 3.812 40 10 IHCBRM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1 ZINC000408855636 556871960 /nfs/dbraw/zinc/87/19/60/556871960.db2.gz HPYOYYFBGNBCBR-FMIVXFBMSA-N -1 0 437.304 3.842 40 10 IHCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408866063 556873633 /nfs/dbraw/zinc/87/36/33/556873633.db2.gz FMKAFXYBUNXTDA-OVCLIPMQSA-N -1 0 435.661 3.778 40 10 IHCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(OC)c3)C2=O)cc1 ZINC000408882153 556878438 /nfs/dbraw/zinc/87/84/38/556878438.db2.gz LKFZBKXQJXMJQJ-LICLKQGHSA-N -1 0 429.270 3.687 40 10 IHCBRM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)[O-] ZINC000408902755 556885533 /nfs/dbraw/zinc/88/55/33/556885533.db2.gz RAXZYQWNJDEVCV-OVCLIPMQSA-N -1 0 445.269 3.727 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000408940335 556896655 /nfs/dbraw/zinc/89/66/55/556896655.db2.gz NVKZNATZTULGLT-XSFVSMFZSA-N -1 0 443.415 3.840 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409016315 556921259 /nfs/dbraw/zinc/92/12/59/556921259.db2.gz GWRLPRGOADQDTQ-YBFXNURJSA-N -1 0 434.496 3.768 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)(C)C)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409065529 556941365 /nfs/dbraw/zinc/94/13/65/556941365.db2.gz MIWCQMUJCNNFPE-GZTJUZNOSA-N -1 0 441.553 3.708 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409097410 556953493 /nfs/dbraw/zinc/95/34/93/556953493.db2.gz IIVLTKGCHBHHJT-LFIBNONCSA-N -1 0 429.904 3.911 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc43)C(=O)[N-]C2=S)c(OC)c1 ZINC000409121841 556961838 /nfs/dbraw/zinc/96/18/38/556961838.db2.gz YCURUSJGDXOWSP-AQTBWJFISA-N -1 0 448.500 3.697 40 10 IHCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)[N-]C2=S)c1C ZINC000409130039 556967258 /nfs/dbraw/zinc/96/72/58/556967258.db2.gz TWSWKNSVPQXKLM-MDWZMJQESA-N -1 0 431.311 3.603 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc(Cl)c1OC(C)C ZINC000409228636 557015371 /nfs/dbraw/zinc/01/53/71/557015371.db2.gz BVVNKWALJQKRIQ-OVCLIPMQSA-N -1 0 429.860 3.587 40 10 IHCBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000409229385 557015741 /nfs/dbraw/zinc/01/57/41/557015741.db2.gz OJBWHIQSXLZINJ-XMHGGMMESA-N -1 0 435.549 3.825 40 10 IHCBRM COc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2Cl)C1=O ZINC000409239678 557020972 /nfs/dbraw/zinc/02/09/72/557020972.db2.gz IIHOGCXSFLXYAA-FOWTUZBSSA-N -1 0 441.940 3.780 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC ZINC000409231476 557023355 /nfs/dbraw/zinc/02/33/55/557023355.db2.gz KPXKSKRWCXUNBA-NTEUORMPSA-N -1 0 430.913 3.887 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409233254 557024698 /nfs/dbraw/zinc/02/46/98/557024698.db2.gz UKGYSKLOQHNRJW-SDNWHVSQSA-N -1 0 429.904 3.911 40 10 IHCBRM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000409249727 557030273 /nfs/dbraw/zinc/03/02/73/557030273.db2.gz OEBJHHYJKBZTQQ-XSFVSMFZSA-N -1 0 431.517 3.934 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(OC)cc2)C1=O ZINC000409241069 557031346 /nfs/dbraw/zinc/03/13/46/557031346.db2.gz WWMWIMSCTBSUTH-XDJHFCHBSA-N -1 0 431.448 3.551 40 10 IHCBRM COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409242965 557032848 /nfs/dbraw/zinc/03/28/48/557032848.db2.gz XBZGKUHVRBCJAK-KPKJPENVSA-N -1 0 435.263 3.985 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000409243280 557033164 /nfs/dbraw/zinc/03/31/64/557033164.db2.gz ZRTNHDBHHQEUOE-XOAFGZPJSA-N -1 0 438.480 3.938 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(Br)c2)C1=O ZINC000002978815 557134365 /nfs/dbraw/zinc/13/43/65/557134365.db2.gz NNCKMLSKOOEHKJ-JLHYYAGUSA-N -1 0 445.269 3.523 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000113833505 557307278 /nfs/dbraw/zinc/30/72/78/557307278.db2.gz TVOVFNXETJKNEN-CPNJWEJPSA-N -1 0 445.431 3.644 40 10 IHCBRM CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000059104355 557814089 /nfs/dbraw/zinc/81/40/89/557814089.db2.gz JCWDIWFDQZBJJM-AWNIVKPZSA-N -1 0 444.827 3.983 40 10 IHCBRM CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000034909860 569260057 /nfs/dbraw/zinc/26/00/57/569260057.db2.gz MYYHCNVLYOWRAP-CDCQXCROSA-N -1 0 449.290 3.785 40 10 IHCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000035128738 569260160 /nfs/dbraw/zinc/26/01/60/569260160.db2.gz DFUMWEMSYZJEKD-STZFKDTASA-N -1 0 447.878 3.819 40 10 IHCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1O ZINC000038177837 569260215 /nfs/dbraw/zinc/26/02/15/569260215.db2.gz GTYFQTPNOYQQAO-WUXMJOGZSA-N -1 0 435.230 3.649 40 10 IHCBRM COc1ccc(NC2=NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)S2)cc1 ZINC000210935207 569261439 /nfs/dbraw/zinc/26/14/39/569261439.db2.gz HSIDYAFHCDGSEH-SJWFJVLYSA-N -1 0 428.466 3.638 40 10 IHCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)[N-]C2=S)cc1 ZINC000006798471 132279154 /nfs/dbraw/zinc/27/91/54/132279154.db2.gz CYDWJUMFJYHHHA-ATVHPVEESA-N -1 0 433.445 3.995 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 ZINC000006997578 132280249 /nfs/dbraw/zinc/28/02/49/132280249.db2.gz UAOWGGVBPRFYLU-VBKFSLOCSA-N -1 0 444.285 3.699 40 10 IHCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000009265416 132311945 /nfs/dbraw/zinc/31/19/45/132311945.db2.gz VBHGFEXENZIQCJ-ODLFYWEKSA-N -1 0 443.459 3.798 40 10 IHCBRM CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)C(=O)[N-]C1=S ZINC000009311844 132313482 /nfs/dbraw/zinc/31/34/82/132313482.db2.gz GHDQVUQZWGXGRM-HMMYKYKNSA-N -1 0 431.517 3.880 40 10 IHCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNC(=S)Nc2cccc3ccccc32)C1=O ZINC000408527190 555717051 /nfs/dbraw/zinc/71/70/51/555717051.db2.gz CYPAZWUWBYUNGJ-NBVRZTHBSA-N -1 0 444.516 3.856 40 10 IHCBRM COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)ccc1Cl ZINC000408532954 555745625 /nfs/dbraw/zinc/74/56/25/555745625.db2.gz NJFBTURDHQEUJD-SFQUDFHCSA-N -1 0 449.850 3.859 40 10 IHCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408548514 555810000 /nfs/dbraw/zinc/81/00/00/555810000.db2.gz HZVLAMCHGJUAOE-NTUHNPAUSA-N -1 0 435.263 3.985 40 10 IHCBRM O=C([O-])c1ccccc1NC1=NC(=O)C(=C2C(=O)Nc3ccc(Br)cc32)S1 ZINC000008821922 556223889 /nfs/dbraw/zinc/22/38/89/556223889.db2.gz YKTZQEQHYZJNBP-YPKPFQOOSA-N -1 0 444.266 3.552 40 10 IHCBRM CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870199 556229275 /nfs/dbraw/zinc/22/92/75/556229275.db2.gz SKMDNRTXDZVRRV-NSHLXXETSA-N -1 0 446.594 3.840 40 10 IHCBRM CCn1c(C)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1C ZINC000015013515 556484593 /nfs/dbraw/zinc/48/45/93/556484593.db2.gz SMRJFMKBRCQYDX-YBEGLDIGSA-N -1 0 432.343 3.719 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000016691691 556627372 /nfs/dbraw/zinc/62/73/72/556627372.db2.gz YVILGMXFOTWHFY-DHDCSXOGSA-N -1 0 441.396 3.605 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408762535 556828934 /nfs/dbraw/zinc/82/89/34/556828934.db2.gz OWKJCGNCNSWMKR-PDGQHHTCSA-N -1 0 449.444 3.695 40 10 IHCBRM Cc1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408800449 556858064 /nfs/dbraw/zinc/85/80/64/556858064.db2.gz MIJIUUVXWBZVSA-KGENOOAVSA-N -1 0 428.444 3.946 40 10 IHCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408803831 556859912 /nfs/dbraw/zinc/85/99/12/556859912.db2.gz AWADBVLXDZRLAP-OVCLIPMQSA-N -1 0 429.816 3.702 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C(=O)N1 ZINC000408804970 556860444 /nfs/dbraw/zinc/86/04/44/556860444.db2.gz HXBBPLYBTZTEJN-UHFFFAOYSA-N -1 0 425.655 3.975 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408808554 556861562 /nfs/dbraw/zinc/86/15/62/556861562.db2.gz QEWHIOJWHBVYKC-OVCLIPMQSA-N -1 0 430.844 3.508 40 10 IHCBRM CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1OC ZINC000408867558 556873907 /nfs/dbraw/zinc/87/39/07/556873907.db2.gz IXSWGSRLCKPWMM-GDNBJRDFSA-N -1 0 428.872 3.976 40 10 IHCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408868772 556874099 /nfs/dbraw/zinc/87/40/99/556874099.db2.gz OORDRGSNVPPDFE-OVCLIPMQSA-N -1 0 435.661 3.778 40 10 IHCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408879368 556876044 /nfs/dbraw/zinc/87/60/44/556876044.db2.gz FPPGAGJUCOPMJR-VIZOYTHASA-N -1 0 435.661 3.778 40 10 IHCBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1O ZINC000408900071 556882073 /nfs/dbraw/zinc/88/20/73/556882073.db2.gz RHTYQMSKWGVYJU-OQLLNIDSSA-N -1 0 445.269 3.528 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000408956429 556900244 /nfs/dbraw/zinc/90/02/44/556900244.db2.gz WSLCPYLPDCXCKC-XDHOZWIPSA-N -1 0 442.427 3.661 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1C ZINC000409088283 556951133 /nfs/dbraw/zinc/95/11/33/556951133.db2.gz KSJJIZZPBZCNEF-GXDHUFHOSA-N -1 0 430.913 3.805 40 10 IHCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCC)C(=O)[N-]C2=S)c1 ZINC000409103631 556952124 /nfs/dbraw/zinc/95/21/24/556952124.db2.gz DPDBXNJYKZHMTI-GZTJUZNOSA-N -1 0 430.913 3.969 40 10 IHCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1Br ZINC000409123852 556964089 /nfs/dbraw/zinc/96/40/89/556964089.db2.gz FDJQDYOMQGEQMJ-OVCLIPMQSA-N -1 0 435.299 3.978 40 10 IHCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1OC ZINC000409128520 556966514 /nfs/dbraw/zinc/96/65/14/556966514.db2.gz FHUFVZDXGKCWMO-OQLLNIDSSA-N -1 0 444.871 3.505 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1Br ZINC000409138919 556971020 /nfs/dbraw/zinc/97/10/20/556971020.db2.gz JXCUUGWJHPJARC-NTEUORMPSA-N -1 0 445.338 3.906 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c(Cl)cc1OC ZINC000409169743 556980399 /nfs/dbraw/zinc/98/03/99/556980399.db2.gz ZAQSWRJJEVHWOT-UKTHLTGXSA-N -1 0 446.912 3.587 40 10 IHCBRM CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O ZINC000409214739 557009429 /nfs/dbraw/zinc/00/94/29/557009429.db2.gz TYPYPLZHOMHALM-BOPFTXTBSA-N -1 0 428.466 3.597 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000409215225 557009941 /nfs/dbraw/zinc/00/99/41/557009941.db2.gz YYWFLUPQHKWJRZ-KGENOOAVSA-N -1 0 443.415 3.840 40 10 IHCBRM CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C1=O)OCO2 ZINC000409221528 557016857 /nfs/dbraw/zinc/01/68/57/557016857.db2.gz RORUODIKXMQJKI-MKMNVTDBSA-N -1 0 444.896 3.607 40 10 IHCBRM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000409240812 557021939 /nfs/dbraw/zinc/02/19/39/557021939.db2.gz IDWUITVAPVQYGT-GHRIWEEISA-N -1 0 437.908 3.971 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)c(F)c2)C1=O ZINC000409233135 557024557 /nfs/dbraw/zinc/02/45/57/557024557.db2.gz QTURRTBQYSWEOW-SAPNQHFASA-N -1 0 437.471 3.881 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409244620 557026699 /nfs/dbraw/zinc/02/66/99/557026699.db2.gz GGOZFNIKHQUAJB-GHRIWEEISA-N -1 0 447.403 3.920 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(O)cc3)c2C)C1=O ZINC000409242763 557032613 /nfs/dbraw/zinc/03/26/13/557032613.db2.gz YFCRCEIFCNYWFB-XSFVSMFZSA-N -1 0 445.475 3.865 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OCC(=O)[O-])SC1=S ZINC000409340318 557067832 /nfs/dbraw/zinc/06/78/32/557067832.db2.gz UZECSZCPBNZNQB-MHWRWJLKSA-N -1 0 431.491 3.573 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409372164 557089735 /nfs/dbraw/zinc/08/97/35/557089735.db2.gz JCRHSAYZBFJACN-UDWIEESQSA-N -1 0 446.459 3.838 40 10 IHCBRM Cc1cccc(COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000409401452 557102019 /nfs/dbraw/zinc/10/20/19/557102019.db2.gz YOLLFASIHBTUGL-STZFKDTASA-N -1 0 429.432 3.944 40 10 IHCBRM COc1ccc2cc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c(=O)[nH]c2c1 ZINC000102725123 557306426 /nfs/dbraw/zinc/30/64/26/557306426.db2.gz OKELJYJPYCGPMV-MFOYZWKCSA-N -1 0 438.486 3.641 40 10 IHCBRM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]3CC[C@@H]1O3)CCCCCCC2 ZINC000017099631 557483292 /nfs/dbraw/zinc/48/32/92/557483292.db2.gz UMAMRECRQJXFCC-JFTQMJAMSA-N -1 0 435.542 3.791 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1ccccc1C ZINC000026509990 557528465 /nfs/dbraw/zinc/52/84/65/557528465.db2.gz ZOPQVZZLBYTLLU-ZDLGFXPLSA-N -1 0 429.519 3.868 40 10 IHCBRM COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCc1ccccc1 ZINC000033413885 557808104 /nfs/dbraw/zinc/80/81/04/557808104.db2.gz ZPPKKFFFNYMUPD-LDADJPATSA-N -1 0 429.519 3.950 40 10 IHCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000059104660 557814295 /nfs/dbraw/zinc/81/42/95/557814295.db2.gz QVPRYICAYKBBDJ-RVDMUPIBSA-N -1 0 425.397 3.899 40 10 IHCBRM COc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OC ZINC000026771413 568916684 /nfs/dbraw/zinc/91/66/84/568916684.db2.gz HQGKNONFPTVCHD-BRFSQIRFSA-N -1 0 429.519 3.601 40 10 IHCBRM CCOC(=O)[C@@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033410700 569259270 /nfs/dbraw/zinc/25/92/70/569259270.db2.gz VJGHLUHKEFWWKH-KQRQPNSISA-N -1 0 430.460 3.632 40 10 IHCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000033667299 569259598 /nfs/dbraw/zinc/25/95/98/569259598.db2.gz IFZXPBFGAGUERQ-YBEGLDIGSA-N -1 0 436.811 3.897 40 10 IHCBRM CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(OCc2ccccc2C#N)c1 ZINC000033718988 569259813 /nfs/dbraw/zinc/25/98/13/569259813.db2.gz UCUKPWPRMAUIEK-UCQKPKSFSA-N -1 0 438.487 3.665 40 10 IHCBRM C#CCOc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000035214430 569260177 /nfs/dbraw/zinc/26/01/77/569260177.db2.gz OKOZTUUFMWPTOO-GDNBJRDFSA-N -1 0 431.673 3.576 40 10 IHCBRM CCSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-])Nc1ccccc1-2 ZINC000003108985 569440297 /nfs/dbraw/zinc/44/02/97/569440297.db2.gz PHPCERJFHSKSIG-MRXNPFEDSA-N -1 0 442.413 3.676 40 10 IHCBRM COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000016695942 524324170 /nfs/dbraw/zinc/32/41/70/524324170.db2.gz AKFLSJULGQEYEB-ATVHPVEESA-N -1 0 442.518 3.623 40 10 IHCBRM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001153837 555657859 /nfs/dbraw/zinc/65/78/59/555657859.db2.gz HTOTXBBBBYRODJ-MHWRWJLKSA-N -1 0 426.791 3.639 40 10 IHCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2c(C)nn(-c3ccccc3)c2C)C1=O ZINC000408529042 555722593 /nfs/dbraw/zinc/72/25/93/555722593.db2.gz GUQXXZHJJVBDDP-XMHGGMMESA-N -1 0 429.480 3.630 40 10 IHCBRM Cc1ccc(S(=O)(=O)[N-]N2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=S)cc1 ZINC000008765869 556212349 /nfs/dbraw/zinc/21/23/49/556212349.db2.gz JOVZZTQWFHZGBC-SFQUDFHCSA-N -1 0 433.580 3.792 40 10 IHCBRM O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000008820360 556220455 /nfs/dbraw/zinc/22/04/55/556220455.db2.gz SOTYGYAJFJOUEK-GUSDSWBTSA-N -1 0 441.490 3.697 40 10 IHCBRM CCn1c(C)cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c1C ZINC000015013468 556484597 /nfs/dbraw/zinc/48/45/97/556484597.db2.gz IMLDBRWECBOTAQ-SXGWCWSVSA-N -1 0 432.343 3.719 40 10 IHCBRM CN(C)c1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000015539659 556533751 /nfs/dbraw/zinc/53/37/51/556533751.db2.gz YXWIWACPZXRQGR-UHFFFAOYSA-N -1 0 429.567 3.887 40 10 IHCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC ZINC000013915673 556661882 /nfs/dbraw/zinc/66/18/82/556661882.db2.gz DDZXNNJDBQGYAS-YBEGLDIGSA-N -1 0 444.871 3.812 40 10 IHCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1 ZINC000408806399 556858936 /nfs/dbraw/zinc/85/89/36/556858936.db2.gz AQMYEPLADSKICK-RVDMUPIBSA-N -1 0 432.274 3.555 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2)c1 ZINC000408807852 556861419 /nfs/dbraw/zinc/86/14/19/556861419.db2.gz HZDPEZBXPJIULO-KGENOOAVSA-N -1 0 428.444 3.941 40 10 IHCBRM CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408816882 556863918 /nfs/dbraw/zinc/86/39/18/556863918.db2.gz ZHLPCKSLPUJTGZ-FOWTUZBSSA-N -1 0 429.270 3.904 40 10 IHCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2O)C1=O ZINC000408899411 556881971 /nfs/dbraw/zinc/88/19/71/556881971.db2.gz PBKIZWYESHAWHA-JYRVWZFOSA-N -1 0 435.661 3.783 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 ZINC000408901330 556882564 /nfs/dbraw/zinc/88/25/64/556882564.db2.gz XFINDDNTEPRWEZ-GDNBJRDFSA-N -1 0 445.269 3.610 40 10 IHCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Br)o2)C(=O)[N-]C1=S ZINC000409103549 556952154 /nfs/dbraw/zinc/95/21/54/556952154.db2.gz DIFPWRLBUVXOAX-JXMROGBWSA-N -1 0 425.691 3.835 40 10 IHCBRM COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C)c(C)c2)C(=O)[N-]C1=S ZINC000409173761 556984725 /nfs/dbraw/zinc/98/47/25/556984725.db2.gz RMHIFENMVXCRDO-XMHGGMMESA-N -1 0 431.517 3.934 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)cc2F)C1=O ZINC000409236661 557018568 /nfs/dbraw/zinc/01/85/68/557018568.db2.gz SVEHAHWBBRSYKU-NBVRZTHBSA-N -1 0 437.471 3.881 40 10 IHCBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2)C1=O ZINC000409232504 557024480 /nfs/dbraw/zinc/02/44/80/557024480.db2.gz IUVFNSVURPLUFU-XSFVSMFZSA-N -1 0 435.549 3.825 40 10 IHCBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409233045 557024588 /nfs/dbraw/zinc/02/45/88/557024588.db2.gz CZUBVENDJPZQJV-NTEUORMPSA-N -1 0 430.913 3.887 40 10 IHCBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000409241554 557031656 /nfs/dbraw/zinc/03/16/56/557031656.db2.gz OKCLDMOMXLUSLE-GHRIWEEISA-N -1 0 439.512 3.656 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834181 557307564 /nfs/dbraw/zinc/30/75/64/557307564.db2.gz QORBNOMPROPUBN-DEDYPNTBSA-N -1 0 445.431 3.644 40 10 IHCBRM O=C([O-])c1cc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)ccc1O ZINC000033537727 557408494 /nfs/dbraw/zinc/40/84/94/557408494.db2.gz OYSYZDNBPKWCON-GZTJUZNOSA-N -1 0 442.518 3.711 40 10 IHCBRM COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)ccc1OCc1ccccc1 ZINC000000967079 568646759 /nfs/dbraw/zinc/64/67/59/568646759.db2.gz OSOSHBSEWRAXLU-FHNWIRHTSA-N -1 0 429.519 3.949 40 10 IHCBRM Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1 ZINC000002323591 569211246 /nfs/dbraw/zinc/21/12/46/569211246.db2.gz VJHHEAUYOJPQKE-LICLKQGHSA-N -1 0 442.518 3.629 40 10 IHCBRM COc1ccc(Oc2ccc(NC=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2)cc1 ZINC000110474743 569253544 /nfs/dbraw/zinc/25/35/44/569253544.db2.gz KMFBEKTVWKIMLK-MOSHPQCFSA-N -1 0 433.420 3.655 40 10 IHCBRM Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1-c1ccc([N+](=O)[O-])cn1 ZINC000107921929 569260692 /nfs/dbraw/zinc/26/06/92/569260692.db2.gz VAWQVPUGPXNMPA-MOSHPQCFSA-N -1 0 439.431 3.704 40 10 IHCBRM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CN=c3[nH]c4cc(C)c(C)cc4s3)C2=O)c(C)c1 ZINC000408532978 569583236 /nfs/dbraw/zinc/58/32/36/569583236.db2.gz NNTXCBMSWZMKGQ-MHWRWJLKSA-N -1 0 434.521 4.417 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C)c3)C(=O)[N-]C2=S)c(OC)c1 ZINC000001127265 524387113 /nfs/dbraw/zinc/38/71/13/524387113.db2.gz NVFLNMWZDROVTE-UYRXBGFRSA-N -1 0 447.516 3.634 40 10 IHCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C)c(C)cc3Br)C2=O)cc1 ZINC000408536498 555772076 /nfs/dbraw/zinc/77/20/76/555772076.db2.gz WPEGVPSADSWQON-GDNBJRDFSA-N -1 0 444.285 3.653 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1 ZINC000408756763 556236451 /nfs/dbraw/zinc/23/64/51/556236451.db2.gz JIMRQGNBMJQRGV-HYARGMPZSA-N -1 0 444.491 3.863 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1O ZINC000408785257 556855591 /nfs/dbraw/zinc/85/55/91/556855591.db2.gz VJUIHONOYQVXGN-RIYZIHGNSA-N -1 0 445.269 3.528 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408802058 556858868 /nfs/dbraw/zinc/85/88/68/556858868.db2.gz CLTMWQWENAFGKN-KGENOOAVSA-N -1 0 443.415 3.840 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1Br ZINC000408809474 556861940 /nfs/dbraw/zinc/86/19/40/556861940.db2.gz OBVZWIHBMDIPTJ-NTEUORMPSA-N -1 0 429.270 3.741 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(OC)cc3)C2=O)cc1 ZINC000408853364 556869783 /nfs/dbraw/zinc/86/97/83/556869783.db2.gz RNSAPSNSFIUHQG-RCCKNPSSSA-N -1 0 431.448 3.551 40 10 IHCBRM O=C1[N-]C(=O)C(=Cc2c(Cc3ccccc3Br)ccc3ccccc32)C(=O)N1 ZINC000408868978 556874131 /nfs/dbraw/zinc/87/41/31/556874131.db2.gz ONQSFBZZPANGFH-UHFFFAOYSA-N -1 0 435.277 3.943 40 10 IHCBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408875732 556876292 /nfs/dbraw/zinc/87/62/92/556876292.db2.gz HEHLCZXZORFBBG-LICLKQGHSA-N -1 0 429.270 3.823 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408888662 556878773 /nfs/dbraw/zinc/87/87/73/556878773.db2.gz YOKOPSKEEIWSRC-DEDYPNTBSA-N -1 0 432.407 3.777 40 10 IHCBRM COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)o2)c1C ZINC000408911355 556888167 /nfs/dbraw/zinc/88/81/67/556888167.db2.gz NBPIAGGGAWKHTH-XDHOZWIPSA-N -1 0 448.406 3.847 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1C ZINC000408954252 556898816 /nfs/dbraw/zinc/89/88/16/556898816.db2.gz SDODXAASVLAZSA-PXLXIMEGSA-N -1 0 428.492 3.827 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC ZINC000408982897 556908176 /nfs/dbraw/zinc/90/81/76/556908176.db2.gz IUDUJHSEIQFAHC-MLPAPPSSSA-N -1 0 435.263 3.985 40 10 IHCBRM O=C([O-])COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409045843 556930630 /nfs/dbraw/zinc/93/06/30/556930630.db2.gz IWBKDSOSGSNFQD-UHFFFAOYSA-N -1 0 442.427 3.733 40 10 IHCBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409102021 556956050 /nfs/dbraw/zinc/95/60/50/556956050.db2.gz ZXXKYEHTBSZHHI-XDHOZWIPSA-N -1 0 449.507 3.587 40 10 IHCBRM Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)c1C ZINC000409132738 556963858 /nfs/dbraw/zinc/96/38/58/556963858.db2.gz JVNRNFVEKWVCJD-CPNJWEJPSA-N -1 0 446.488 3.834 40 10 IHCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OC)c3)C2=O)cc1OCC ZINC000409192848 556992524 /nfs/dbraw/zinc/99/25/24/556992524.db2.gz FZAOAZWVOZVONC-UYRXBGFRSA-N -1 0 438.480 3.545 40 10 IHCBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000409223545 557017739 /nfs/dbraw/zinc/01/77/39/557017739.db2.gz ZZVKOPOTHLRQLU-KGENOOAVSA-N -1 0 433.508 3.969 40 10 IHCBRM Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[N-]C1=S ZINC000409244984 557027119 /nfs/dbraw/zinc/02/71/19/557027119.db2.gz LPCQSPAENYGCQB-VBKFSLOCSA-N -1 0 433.445 3.995 40 10 IHCBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1 ZINC000409246186 557027931 /nfs/dbraw/zinc/02/79/31/557027931.db2.gz GDRQGTLMBLJMFU-LDADJPATSA-N -1 0 440.521 3.667 40 10 IHCBRM CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)cc1 ZINC000409375705 557087573 /nfs/dbraw/zinc/08/75/73/557087573.db2.gz ODZGYOOREQJLMG-XSFVSMFZSA-N -1 0 446.488 3.779 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000409394352 557098497 /nfs/dbraw/zinc/09/84/97/557098497.db2.gz ZHBIVARMHVPOIJ-LFIBNONCSA-N -1 0 438.237 3.771 40 10 IHCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N(C)C)o3)C2=O)cc1 ZINC000059104579 557814334 /nfs/dbraw/zinc/81/43/34/557814334.db2.gz MTSVPLNOWITWPC-MDWZMJQESA-N -1 0 434.246 3.623 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])SC2=S)cc1 ZINC000059514306 557826924 /nfs/dbraw/zinc/82/69/24/557826924.db2.gz FDUWGWFQZUTSNT-VGOFMYFVSA-N -1 0 433.423 3.623 40 10 IHCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000033584424 569259468 /nfs/dbraw/zinc/25/94/68/569259468.db2.gz NYVNAGOSTHKPLI-MOSHPQCFSA-N -1 0 429.432 3.944 40 10 IHCBRM COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1C#N ZINC000108289718 569260904 /nfs/dbraw/zinc/26/09/04/569260904.db2.gz TXNUNVPOLVZREF-STZFKDTASA-N -1 0 425.444 3.607 40 10 IHCBRM CC(C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I ZINC000108223918 569260970 /nfs/dbraw/zinc/26/09/70/569260970.db2.gz QCXJXBUUYWBDLP-GDNBJRDFSA-N -1 0 448.260 3.540 40 10 IHCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 ZINC000002378815 132253274 /nfs/dbraw/zinc/25/32/74/132253274.db2.gz OHDYUYUHJDFJKN-FYJGNVAPSA-N -1 0 433.439 3.908 40 10 IHCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccn1 ZINC000009260370 132311520 /nfs/dbraw/zinc/31/15/20/132311520.db2.gz LBDZWEMCIMQNCI-MOSHPQCFSA-N -1 0 430.533 3.937 40 10 IHCBRM Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000001182862 555672831 /nfs/dbraw/zinc/67/28/31/555672831.db2.gz HDDJFPSOQCRPJG-SFQUDFHCSA-N -1 0 426.519 3.923 40 10 IHCBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1 ZINC000408527456 555717597 /nfs/dbraw/zinc/71/75/97/555717597.db2.gz DNVHLUGJQDHQJN-XNTDXEJSSA-N -1 0 444.285 3.653 40 10 IHCBRM CCn1c2cc(N=Cc3c(C)[n-]n(-c4cccc(C)c4)c3=O)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408529032 555722522 /nfs/dbraw/zinc/72/25/22/555722522.db2.gz GUFWAQCNFHRBNR-LGMDPLHJSA-N -1 0 448.483 3.778 40 10 IHCBRM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(Br)c(Cl)c1 ZINC000408533759 555747867 /nfs/dbraw/zinc/74/78/67/555747867.db2.gz PBDHMFMICOFYLI-SDNWHVSQSA-N -1 0 448.704 3.719 40 10 IHCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408536711 555765619 /nfs/dbraw/zinc/76/56/19/555765619.db2.gz XNXIICQDXMBIOJ-FMIVXFBMSA-N -1 0 433.251 3.590 40 10 IHCBRM O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000002967488 555868693 /nfs/dbraw/zinc/86/86/93/555868693.db2.gz CUKZYGAOTUDVNI-ZROIWOOFSA-N -1 0 429.928 3.689 40 10 IHCBRM COc1ccc(CCN2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)cc1OC ZINC000008821560 556223079 /nfs/dbraw/zinc/22/30/79/556223079.db2.gz LZHIZSNPSZOWDO-PDGQHHTCSA-N -1 0 429.519 3.846 40 10 IHCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000009189394 556252299 /nfs/dbraw/zinc/25/22/99/556252299.db2.gz NHTDLTYJELWKJZ-YVLHZVERSA-N -1 0 431.491 3.573 40 10 IHCBRM COc1ccc(S(=O)(=O)Nc2c(C)cc([O-])c(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010014003 556322771 /nfs/dbraw/zinc/32/27/71/556322771.db2.gz FGMQCUYMTMAYEE-UHFFFAOYSA-N -1 0 447.534 3.651 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccnc1 ZINC000408780115 556854244 /nfs/dbraw/zinc/85/42/44/556854244.db2.gz SKZZJUJNDOSFLO-CIAFOILYSA-N -1 0 430.533 3.937 40 10 IHCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408804298 556860316 /nfs/dbraw/zinc/86/03/16/556860316.db2.gz XFLXWMCUNJLFNK-XSFVSMFZSA-N -1 0 443.415 3.840 40 10 IHCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408808449 556861635 /nfs/dbraw/zinc/86/16/35/556861635.db2.gz IXNKDNWEQQKGAN-XNTDXEJSSA-N -1 0 429.270 3.903 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408810598 556862052 /nfs/dbraw/zinc/86/20/52/556862052.db2.gz MJVBVMYCVONQPD-FYJGNVAPSA-N -1 0 443.415 3.840 40 10 IHCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408817540 556864198 /nfs/dbraw/zinc/86/41/98/556864198.db2.gz VUFQSSGENIWIRF-CXUHLZMHSA-N -1 0 444.871 3.898 40 10 IHCBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000408882502 556878499 /nfs/dbraw/zinc/87/84/99/556878499.db2.gz OLNTZEVHSBHLCJ-MHWRWJLKSA-N -1 0 429.270 3.823 40 10 IHCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 ZINC000408895196 556880658 /nfs/dbraw/zinc/88/06/58/556880658.db2.gz CWQWDCOAEKRVTE-YBEGLDIGSA-N -1 0 444.871 3.812 40 10 IHCBRM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)C1=O ZINC000409014347 556920182 /nfs/dbraw/zinc/92/01/82/556920182.db2.gz XKQZYKYPYRCDDA-XWAFYUISSA-N -1 0 442.493 3.780 40 10 IHCBRM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)C1=O ZINC000409014346 556920250 /nfs/dbraw/zinc/92/02/50/556920250.db2.gz XKQZYKYPYRCDDA-BGARDKSCSA-N -1 0 442.493 3.780 40 10 IHCBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000409021381 556922535 /nfs/dbraw/zinc/92/25/35/556922535.db2.gz FAGJQVZANNSZNJ-GIDUJCDVSA-N -1 0 444.285 3.901 40 10 IHCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000409020407 556924298 /nfs/dbraw/zinc/92/42/98/556924298.db2.gz OYAGDQVOMXIXTQ-OQLLNIDSSA-N -1 0 445.338 3.906 40 10 IHCBRM COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409049962 556932372 /nfs/dbraw/zinc/93/23/72/556932372.db2.gz RRYLPZCVZXGZTR-AWNIVKPZSA-N -1 0 436.207 3.577 40 10 IHCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000409098362 556954099 /nfs/dbraw/zinc/95/40/99/556954099.db2.gz PQYFMIFPKAEOFV-QCUKBLKESA-N -1 0 440.521 3.712 40 10 IHCBRM O=C([O-])CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S ZINC000409103119 556956659 /nfs/dbraw/zinc/95/66/59/556956659.db2.gz ARHOGCRBKFAYNM-GZTJUZNOSA-N -1 0 444.490 3.850 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 ZINC000409240438 557021665 /nfs/dbraw/zinc/02/16/65/557021665.db2.gz KSMOBFDQCXVHDS-XSFVSMFZSA-N -1 0 430.464 3.554 40 10 IHCBRM Cc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)[N-]C1=S ZINC000409230834 557022622 /nfs/dbraw/zinc/02/26/22/557022622.db2.gz GDCQNXGVJXKYRR-UVTDQMKNSA-N -1 0 444.354 3.655 40 10 IHCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000409232194 557023968 /nfs/dbraw/zinc/02/39/68/557023968.db2.gz ORSMMDRZBKINSA-CIAFOILYSA-N -1 0 440.434 3.890 40 10 IHCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3OC)C2=O)c1 ZINC000409235584 557026460 /nfs/dbraw/zinc/02/64/60/557026460.db2.gz CFEBCPXACHOGFQ-KGENOOAVSA-N -1 0 449.507 3.751 40 10 IHCBRM COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409248576 557029567 /nfs/dbraw/zinc/02/95/67/557029567.db2.gz LHNNMBRUPQVARG-VGOFMYFVSA-N -1 0 446.912 3.506 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Br)s1 ZINC000409249756 557030203 /nfs/dbraw/zinc/03/02/03/557030203.db2.gz LIPCHBJDIVKHPL-VQHVLOKHSA-N -1 0 427.732 3.995 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccccn1 ZINC000409250630 557030934 /nfs/dbraw/zinc/03/09/34/557030934.db2.gz XRLICVVHTARODS-CPNJWEJPSA-N -1 0 430.533 3.937 40 10 IHCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1Br ZINC000409389447 557100693 /nfs/dbraw/zinc/10/06/93/557100693.db2.gz BBMWMGZKVVAJEF-JXCQQFQQSA-N -1 0 444.285 3.688 40 10 IHCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000409408199 557107575 /nfs/dbraw/zinc/10/75/75/557107575.db2.gz JHLJFCLPWUEBNF-RGPAXGPHSA-N -1 0 440.455 3.775 40 10 IHCBRM CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C(=O)NC1=S ZINC000059087103 557813782 /nfs/dbraw/zinc/81/37/82/557813782.db2.gz YWYOVAMQQHCGKI-OVCLIPMQSA-N -1 0 431.901 3.933 40 10 IHCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)c1 ZINC000059105092 557814566 /nfs/dbraw/zinc/81/45/66/557814566.db2.gz RMAPBMIXUFIUGY-XNTDXEJSSA-N -1 0 426.425 3.705 40 10 IHCBRM Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000059138755 557816335 /nfs/dbraw/zinc/81/63/35/557816335.db2.gz OVYMWKJLCREJAG-KGENOOAVSA-N -1 0 443.459 3.801 40 10 IHCBRM COc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OC ZINC000026771414 568916702 /nfs/dbraw/zinc/91/67/02/568916702.db2.gz HQGKNONFPTVCHD-GYZOOYGHSA-N -1 0 429.519 3.601 40 10 IHCBRM CN(C)c1ccc(/C=C/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001153456 132237605 /nfs/dbraw/zinc/23/76/05/132237605.db2.gz KPHRPHTVZBUTSU-ONCSWLTESA-N -1 0 440.297 3.738 40 10 IHCBRM Cc1cc(C)c(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)c([N+](=O)[O-])c1 ZINC000408526277 555715317 /nfs/dbraw/zinc/71/53/17/555715317.db2.gz APBZQCPWTLNZQK-SFQUDFHCSA-N -1 0 430.420 3.944 40 10 IHCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3C)C2=O)c(C)c1 ZINC000408533179 555746346 /nfs/dbraw/zinc/74/63/46/555746346.db2.gz OEUQIYAMTYGKEI-XNTDXEJSSA-N -1 0 428.286 3.953 40 10 IHCBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])C1=O ZINC000008870195 556229284 /nfs/dbraw/zinc/22/92/84/556229284.db2.gz QHCHMPDECJMRLX-HLYZQZKRSA-N -1 0 446.594 3.840 40 10 IHCBRM CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408800284 556858005 /nfs/dbraw/zinc/85/80/05/556858005.db2.gz LMWKWHKPQDGQLI-LFIBNONCSA-N -1 0 429.270 3.903 40 10 IHCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1 ZINC000408808646 556861619 /nfs/dbraw/zinc/86/16/19/556861619.db2.gz QNERODKCIVPKCI-MHWRWJLKSA-N -1 0 444.871 3.812 40 10 IHCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408817001 556863899 /nfs/dbraw/zinc/86/38/99/556863899.db2.gz SSNMSACVZGQZOA-OQLLNIDSSA-N -1 0 430.844 3.509 40 10 IHCBRM CCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408819193 556864842 /nfs/dbraw/zinc/86/48/42/556864842.db2.gz WYWLEFGNOYWLMB-SFQUDFHCSA-N -1 0 442.855 3.582 40 10 IHCBRM CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408901341 556882552 /nfs/dbraw/zinc/88/25/52/556882552.db2.gz XIGGJTOQFSYWEP-XSFVSMFZSA-N -1 0 434.883 3.863 40 10 IHCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408968139 556903486 /nfs/dbraw/zinc/90/34/86/556903486.db2.gz WQJZZPZOYIPQAQ-YRNVUSSQSA-N -1 0 427.732 3.995 40 10 IHCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)cc3)C2=O)cc1 ZINC000408990225 556911177 /nfs/dbraw/zinc/91/11/77/556911177.db2.gz WGPZUJVVXDMFQU-WJDWOHSUSA-N -1 0 446.244 3.520 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC ZINC000409141322 556972341 /nfs/dbraw/zinc/97/23/41/556972341.db2.gz JJDGZZUFMDSDPF-RIYZIHGNSA-N -1 0 430.913 3.805 40 10 IHCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(OC)c1 ZINC000409147749 556973312 /nfs/dbraw/zinc/97/33/12/556973312.db2.gz WCEZHXDWLGXUCU-CPNJWEJPSA-N -1 0 437.565 3.990 40 10 IHCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409146279 556977281 /nfs/dbraw/zinc/97/72/81/556977281.db2.gz SDGIBVNTRWIOHG-CIAFOILYSA-N -1 0 444.447 3.664 40 10 IHCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409204696 557003140 /nfs/dbraw/zinc/00/31/40/557003140.db2.gz JLOKTESFHGQFPD-JHBOHYQCSA-N -1 0 441.915 3.912 40 10 IHCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)c1 ZINC000409233313 557025008 /nfs/dbraw/zinc/02/50/08/557025008.db2.gz UUUWXGKHTHMKDK-CPNJWEJPSA-N -1 0 446.488 3.834 40 10 IHCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C1=O ZINC000409247285 557028548 /nfs/dbraw/zinc/02/85/48/557028548.db2.gz MBICVYZTCGRZTG-CAPFRKAQSA-N -1 0 444.491 3.608 40 10 IHCBRM COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409334103 557066536 /nfs/dbraw/zinc/06/65/36/557066536.db2.gz TZJMUOSBFUJQHO-MHWRWJLKSA-N -1 0 431.495 3.781 40 10 IHCBRM C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 ZINC000208192676 557078719 /nfs/dbraw/zinc/07/87/19/557078719.db2.gz SMXYVSBQCTZWMQ-YFEUJDIGSA-N -1 0 447.491 3.804 40 10 IHCBRM COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccccc1Cl ZINC000112290071 557238862 /nfs/dbraw/zinc/23/88/62/557238862.db2.gz RQHBRVZYBUMRMO-UNOMPAQXSA-N -1 0 428.832 3.900 40 10 IHCBRM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833577 557307163 /nfs/dbraw/zinc/30/71/63/557307163.db2.gz MEVCDTJTNNGRBY-DEDYPNTBSA-N -1 0 445.431 3.644 40 10 IHCBRM CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@@H]2C1=O ZINC000100799134 557455364 /nfs/dbraw/zinc/45/53/64/557455364.db2.gz OHZDMHXAYPJNCU-FHWLQOOXSA-N -1 0 445.313 3.801 40 10 IHCBRM CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)s1 ZINC000224244941 557580532 /nfs/dbraw/zinc/58/05/32/557580532.db2.gz IFRZUPVETRYQCS-UHFFFAOYSA-N -1 0 444.538 3.555 40 10 IHCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000108056538 569252208 /nfs/dbraw/zinc/25/22/08/569252208.db2.gz VEYKWBFEEKZLSZ-DGGAMASNSA-N -1 0 447.285 3.881 40 10 IHCBRM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1C#N ZINC000108289722 569260917 /nfs/dbraw/zinc/26/09/17/569260917.db2.gz TXNUNVPOLVZREF-KGENOOAVSA-N -1 0 425.444 3.607 40 10 IHCBRM O=C(NN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 ZINC000206913673 569261187 /nfs/dbraw/zinc/26/11/87/569261187.db2.gz GNHQQVFHRFLIHR-RIYZIHGNSA-N -1 0 435.870 3.500 40 10 IHCBRM