smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013675025 526680502 /nfs/dbraw/zinc/68/05/02/526680502.db2.gz OKLUXDAHYNUQNF-UHFFFAOYSA-N -1 0 435.549 4.018 40 10 IICBRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408526670 555715944 /nfs/dbraw/zinc/71/59/44/555715944.db2.gz BXXBFHSMUSEDKL-LCYFTJDESA-N -1 0 440.301 4.366 40 10 IICBRM CCOC(=O)c1ccc(-n2c(C)cc(C=C(Sc3n[nH]c(CC)n3)C(=O)[O-])c2C)cc1 ZINC000408630917 556001614 /nfs/dbraw/zinc/00/16/14/556001614.db2.gz DRZWWSMGENAEKE-PDGQHHTCSA-N -1 0 440.525 4.169 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408739552 556210547 /nfs/dbraw/zinc/21/05/47/556210547.db2.gz COUAPGPJQSYKGK-RCCKNPSSSA-N -1 0 442.471 4.331 40 10 IICBRM Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000408755321 556238233 /nfs/dbraw/zinc/23/82/33/556238233.db2.gz DMSUXJROCTVFKZ-BKUYFWCQSA-N -1 0 442.519 4.389 40 10 IICBRM Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408755999 556239178 /nfs/dbraw/zinc/23/91/78/556239178.db2.gz GUZSXVNWFGKQHO-DEDYPNTBSA-N -1 0 428.492 4.081 40 10 IICBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(Br)o1 ZINC000032189237 556537142 /nfs/dbraw/zinc/53/71/42/556537142.db2.gz CFOVKJMJOCYYDJ-VURMDHGXSA-N -1 0 446.109 4.180 40 10 IICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(F)cccc3Cl)C2=O)ccc1Br ZINC000408767292 556830061 /nfs/dbraw/zinc/83/00/61/556830061.db2.gz ZADRGYMHSRCLQV-XYOKQWHBSA-N -1 0 437.652 4.216 40 10 IICBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000408774454 556848159 /nfs/dbraw/zinc/84/81/59/556848159.db2.gz LLGLJHWHJSCWNU-RCCKNPSSSA-N -1 0 430.460 4.304 40 10 IICBRM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408780348 556854350 /nfs/dbraw/zinc/85/43/50/556854350.db2.gz BCLMTGZFLIPMSC-WDZFZDKYSA-N -1 0 441.723 4.487 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(Br)c3)C2=O)cc1 ZINC000408799815 556857791 /nfs/dbraw/zinc/85/77/91/556857791.db2.gz LMXUKMIETHWTHM-MHWRWJLKSA-N -1 0 443.297 4.211 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408800217 556858076 /nfs/dbraw/zinc/85/80/76/556858076.db2.gz NVZABRQLYUWJKZ-GZTJUZNOSA-N -1 0 442.899 4.366 40 10 IICBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408802321 556859395 /nfs/dbraw/zinc/85/93/95/556859395.db2.gz ZAZQQDIOZNSSQG-SFQUDFHCSA-N -1 0 443.297 4.213 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408804452 556860129 /nfs/dbraw/zinc/86/01/29/556860129.db2.gz GFHGRWJBXDFUGR-KGENOOAVSA-N -1 0 442.471 4.249 40 10 IICBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(C)C)C2=O)c1 ZINC000408806085 556861063 /nfs/dbraw/zinc/86/10/63/556861063.db2.gz AEMDFNCSBOZCNP-GZTJUZNOSA-N -1 0 443.297 4.211 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC ZINC000408808474 556861513 /nfs/dbraw/zinc/86/15/13/556861513.db2.gz PTFNWOZDIKZUIW-OVCLIPMQSA-N -1 0 449.290 4.457 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408812342 556863001 /nfs/dbraw/zinc/86/30/01/556863001.db2.gz LPFFJBZJXQRSTK-PXLXIMEGSA-N -1 0 442.471 4.249 40 10 IICBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408812625 556863033 /nfs/dbraw/zinc/86/30/33/556863033.db2.gz MEUIDNLDVATLKZ-RVDMUPIBSA-N -1 0 428.872 4.112 40 10 IICBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408865154 556873299 /nfs/dbraw/zinc/87/32/99/556873299.db2.gz BIWMXJHMGSRZNX-AWNIVKPZSA-N -1 0 425.655 4.322 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1Cc1ccccc1F ZINC000408865046 556873307 /nfs/dbraw/zinc/87/33/07/556873307.db2.gz AURJGUNPYGQRPH-DEDYPNTBSA-N -1 0 444.462 4.400 40 10 IICBRM CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2CC)C1=O ZINC000408865938 556873318 /nfs/dbraw/zinc/87/33/18/556873318.db2.gz CRNXQSVFOCTVME-VBKFSLOCSA-N -1 0 443.297 4.077 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1 ZINC000408877438 556877211 /nfs/dbraw/zinc/87/72/11/556877211.db2.gz RONXOGSGOKKMDO-XQNSMLJCSA-N -1 0 444.462 4.482 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408902587 556885199 /nfs/dbraw/zinc/88/51/99/556885199.db2.gz KQQNDWQCYPATSG-CXUHLZMHSA-N -1 0 446.862 4.331 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000408936496 556895967 /nfs/dbraw/zinc/89/59/67/556895967.db2.gz KNLJRWNONDLTDY-MOSHPQCFSA-N -1 0 448.862 4.291 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000408959982 556900041 /nfs/dbraw/zinc/90/00/41/556900041.db2.gz BKXXEOYOAKVOPA-CIAFOILYSA-N -1 0 428.492 4.081 40 10 IICBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408990608 556911341 /nfs/dbraw/zinc/91/13/41/556911341.db2.gz XPHOOAULYLIHMQ-QPEQYQDCSA-N -1 0 449.688 4.086 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC ZINC000409009702 556917390 /nfs/dbraw/zinc/91/73/90/556917390.db2.gz BMMNOFWEZPZPCG-CXUHLZMHSA-N -1 0 444.940 4.195 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(OCC)c1 ZINC000409097826 556953706 /nfs/dbraw/zinc/95/37/06/556953706.db2.gz JMLAJRJRXOHYOZ-LFIBNONCSA-N -1 0 444.940 4.277 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC ZINC000409136113 556969323 /nfs/dbraw/zinc/96/93/23/556969323.db2.gz SGHKGCDIYITDTH-OQLLNIDSSA-N -1 0 444.940 4.195 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)[N-]C2=S)c(C)c1 ZINC000409138595 556970688 /nfs/dbraw/zinc/97/06/88/556970688.db2.gz FEHTZGKZUWTQJV-CPNJWEJPSA-N -1 0 437.540 4.264 40 10 IICBRM CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O ZINC000409210578 557005084 /nfs/dbraw/zinc/00/50/84/557005084.db2.gz LNECWJKEOZFAPC-GZTJUZNOSA-N -1 0 429.450 4.024 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(C)c(C)c2)C1=O ZINC000409239125 557020397 /nfs/dbraw/zinc/02/03/97/557020397.db2.gz CAELYWMTVYSNNU-HMMYKYKNSA-N -1 0 429.476 4.159 40 10 IICBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccnc1 ZINC000409244520 557026434 /nfs/dbraw/zinc/02/64/34/557026434.db2.gz DXQDORSEQDCZLZ-WOJGMQOQSA-N -1 0 434.883 4.117 40 10 IICBRM COc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1OCC(=O)[O-] ZINC000409338239 557073423 /nfs/dbraw/zinc/07/34/23/557073423.db2.gz GKHSSZGINMKPBV-NVNXTCNLSA-N -1 0 435.910 4.218 40 10 IICBRM CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc21 ZINC000208444716 557087471 /nfs/dbraw/zinc/08/74/71/557087471.db2.gz WZZGYDZTMYNGEF-SFQUDFHCSA-N -1 0 435.524 4.289 40 10 IICBRM CN(C)c1ccc([C@H](CC(=O)c2c([O-])c3ccccc3n(C)c2=O)Nc2cccnc2)cc1 ZINC000100361852 557258922 /nfs/dbraw/zinc/25/89/22/557258922.db2.gz DKPPEIFUNZVUKC-NRFANRHFSA-N -1 0 442.519 4.131 40 10 IICBRM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)c1 ZINC000223843698 557519815 /nfs/dbraw/zinc/51/98/15/557519815.db2.gz ZSIPGSBPULTEQC-UHFFFAOYSA-N -1 0 429.881 4.158 40 10 IICBRM COc1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000059104591 557814284 /nfs/dbraw/zinc/81/42/84/557814284.db2.gz YBAKIUFQZNEGKP-XSFVSMFZSA-N -1 0 433.489 4.166 40 10 IICBRM CCc1ccccc1N1C(=O)C(=Cc2cc(Br)c(N(C)C)o2)C(=O)[N-]C1=S ZINC000059104531 557814317 /nfs/dbraw/zinc/81/43/17/557814317.db2.gz LIQHDXNSGHUAHB-UKTHLTGXSA-N -1 0 448.342 4.342 40 10 IICBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OC ZINC000059861142 557827899 /nfs/dbraw/zinc/82/78/99/557827899.db2.gz HXWNSYGHGLLJQG-MDWZMJQESA-N -1 0 445.269 4.281 40 10 IICBRM COc1ccc2nc(/C=C3\SC(=S)N(c4ccc(C(=O)[O-])c(O)c4)C3=O)ccc2c1 ZINC000054360796 568940599 /nfs/dbraw/zinc/94/05/99/568940599.db2.gz JITFHGLEDSNJIX-NVMNQCDNSA-N -1 0 438.486 4.053 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 ZINC000035339593 569260232 /nfs/dbraw/zinc/26/02/32/569260232.db2.gz DLGWILHDROFAHF-UYRXBGFRSA-N -1 0 449.850 4.289 40 10 IICBRM Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000408532543 555732774 /nfs/dbraw/zinc/73/27/74/555732774.db2.gz IIIXLEWEWGJHBA-QNGOZBTKSA-N -1 0 440.455 4.189 40 10 IICBRM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)c(C)c3)C2=O)c(C)c1 ZINC000408536050 555758363 /nfs/dbraw/zinc/75/83/63/555758363.db2.gz VLOISXIOUQUKDC-MHWRWJLKSA-N -1 0 442.313 4.262 40 10 IICBRM Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000035387455 556090999 /nfs/dbraw/zinc/09/09/99/556090999.db2.gz ORXXPISRPSEOLC-ZHZULCJRSA-N -1 0 432.863 4.329 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1 ZINC000408692152 556094589 /nfs/dbraw/zinc/09/45/89/556094589.db2.gz FOOYWZXHRSQXAN-XSFVSMFZSA-N -1 0 434.492 4.069 40 10 IICBRM CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000008820630 556220840 /nfs/dbraw/zinc/22/08/40/556220840.db2.gz CIWKBWAUTUPIGB-RZTVDGLLSA-N -1 0 438.530 4.171 40 10 IICBRM CCOC(=O)c1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1C[C@@H](C)CC2 ZINC000008861814 556228350 /nfs/dbraw/zinc/22/83/50/556228350.db2.gz WMEVKHIFKJNYTR-DRZSPHRISA-N -1 0 425.934 4.222 40 10 IICBRM COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000009233042 556262047 /nfs/dbraw/zinc/26/20/47/556262047.db2.gz MKVMUPCDDYTMOM-VCHYOVAHSA-N -1 0 429.519 4.181 40 10 IICBRM Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000009265124 556270801 /nfs/dbraw/zinc/27/08/01/556270801.db2.gz YUQSQDXOHWLRES-CIAFOILYSA-N -1 0 447.466 4.333 40 10 IICBRM CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000017995818 556681296 /nfs/dbraw/zinc/68/12/96/556681296.db2.gz UPKRAJVVJLFKFB-VABKMULXSA-N -1 0 447.922 4.457 40 10 IICBRM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408771606 556846923 /nfs/dbraw/zinc/84/69/23/556846923.db2.gz JROSGQDAQDYCBG-NTEUORMPSA-N -1 0 437.805 4.091 40 10 IICBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)c(OC)cc1Cl ZINC000408774983 556848391 /nfs/dbraw/zinc/84/83/91/556848391.db2.gz DXTRJHQSCKLNAP-OQLLNIDSSA-N -1 0 428.872 4.147 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408805703 556860854 /nfs/dbraw/zinc/86/08/54/556860854.db2.gz CBYOSUZROYVZPG-XDHOZWIPSA-N -1 0 448.862 4.291 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408816495 556863691 /nfs/dbraw/zinc/86/36/91/556863691.db2.gz UVZCWTVADOSSJL-XQNSMLJCSA-N -1 0 442.471 4.331 40 10 IICBRM CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000408816812 556863888 /nfs/dbraw/zinc/86/38/88/556863888.db2.gz ZGIQSABUZGQVGE-OQLLNIDSSA-N -1 0 449.688 4.168 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000408819868 556865775 /nfs/dbraw/zinc/86/57/75/556865775.db2.gz YLABNGFUBXLXLZ-HZHRSRAPSA-N -1 0 442.471 4.249 40 10 IICBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408850532 556870638 /nfs/dbraw/zinc/87/06/38/556870638.db2.gz BLZGUNOVYKUYBP-LICLKQGHSA-N -1 0 442.899 4.421 40 10 IICBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408869129 556874164 /nfs/dbraw/zinc/87/41/64/556874164.db2.gz QWORKNAKHUYAAO-STZFKDTASA-N -1 0 432.476 4.236 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408872241 556875274 /nfs/dbraw/zinc/87/52/74/556875274.db2.gz BSUAZEZUPFNKCX-WJDWOHSUSA-N -1 0 444.940 4.359 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F ZINC000408873020 556875556 /nfs/dbraw/zinc/87/55/56/556875556.db2.gz QUGDALAKUCVJPM-DEDYPNTBSA-N -1 0 430.435 4.092 40 10 IICBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000408880418 556876298 /nfs/dbraw/zinc/87/62/98/556876298.db2.gz JSRHVKFYAQKPES-UYRXBGFRSA-N -1 0 434.398 4.210 40 10 IICBRM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(Cc2cccc(F)c2)c1 ZINC000408875755 556876345 /nfs/dbraw/zinc/87/63/45/556876345.db2.gz HJZAKKLJNODKCE-JCMHNJIXSA-N -1 0 446.503 4.256 40 10 IICBRM CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408895704 556880920 /nfs/dbraw/zinc/88/09/20/556880920.db2.gz FFTTTZCIBFVMFW-ATVHPVEESA-N -1 0 443.297 4.213 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccccc1O ZINC000408935035 556895558 /nfs/dbraw/zinc/89/55/58/556895558.db2.gz GBVLJVMHGYGMII-DEDYPNTBSA-N -1 0 448.862 4.291 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408939369 556896345 /nfs/dbraw/zinc/89/63/45/556896345.db2.gz RXRPLKOVHZXKAL-BKUYFWCQSA-N -1 0 448.862 4.291 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 ZINC000408989646 556910800 /nfs/dbraw/zinc/91/08/00/556910800.db2.gz UUGMLUJTUOLTFR-DEDYPNTBSA-N -1 0 445.431 4.392 40 10 IICBRM 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/nfs/dbraw/zinc/10/30/29/557103029.db2.gz SBSMNYQGDQJKND-DVKSIGJHSA-N -1 0 444.874 4.420 40 10 IICBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OC(C)C ZINC000409407632 557107332 /nfs/dbraw/zinc/10/73/32/557107332.db2.gz NCEJXTYAZCTIAT-YBEGLDIGSA-N -1 0 445.313 4.096 40 10 IICBRM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409409509 557108477 /nfs/dbraw/zinc/10/84/77/557108477.db2.gz VWHBAOSMCKUHIN-XSFVSMFZSA-N -1 0 434.879 4.389 40 10 IICBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(Br)=C1C(C)=NN(c2ccccc2)C1=O ZINC000096168981 557182115 /nfs/dbraw/zinc/18/21/15/557182115.db2.gz RMYWIKONPQRBGB-JLMFCZBYSA-N -1 0 437.297 4.097 40 10 IICBRM CN(C)c1ccc([C@@H](CC(=O)c2c([O-])c3ccccc3n(C)c2=O)Nc2cccnc2)cc1 ZINC000100361857 557258984 /nfs/dbraw/zinc/25/89/84/557258984.db2.gz DKPPEIFUNZVUKC-OAQYLSRUSA-N -1 0 442.519 4.131 40 10 IICBRM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(OC)c(Cl)cc1OC ZINC000019639339 557503732 /nfs/dbraw/zinc/50/37/32/557503732.db2.gz 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IICBRM O=C([O-])C(=Cc1ccc(N2CCOCC2)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000408634959 556011903 /nfs/dbraw/zinc/01/19/03/556011903.db2.gz VUOFOXAPGXHZRV-QGOAFFKASA-N -1 0 442.928 4.180 40 10 IICBRM Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000035353064 556081243 /nfs/dbraw/zinc/08/12/43/556081243.db2.gz UVNUXJQNJOYRDP-ZHZULCJRSA-N -1 0 432.863 4.329 40 10 IICBRM CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000008820631 556220804 /nfs/dbraw/zinc/22/08/04/556220804.db2.gz HCWAVBMGVSAADG-UJUKKVGJSA-N -1 0 438.530 4.171 40 10 IICBRM Cc1ccc(S(=O)(=O)Nc2cc(Br)c([O-])c(Br)c2C)cc1 ZINC000016779902 556641361 /nfs/dbraw/zinc/64/13/61/556641361.db2.gz NQIPOTRBMNFVTL-UHFFFAOYSA-N -1 0 435.137 4.335 40 10 IICBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408758156 556843015 /nfs/dbraw/zinc/84/30/15/556843015.db2.gz WDHXXFVFICSTAO-LPYMAVHISA-N -1 0 428.492 4.081 40 10 IICBRM Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[n-]n(-c2cccc(C)c2)c1=O ZINC000408758162 556846034 /nfs/dbraw/zinc/84/60/34/556846034.db2.gz WGHQFGAUABYNRL-FYJGNVAPSA-N -1 0 430.468 4.424 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC ZINC000408797088 556857144 /nfs/dbraw/zinc/85/71/44/556857144.db2.gz FVDKMLOWBPIWTG-CXUHLZMHSA-N -1 0 428.872 4.031 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408801097 556858515 /nfs/dbraw/zinc/85/85/15/556858515.db2.gz SSVIMYBXQHAIGA-KGENOOAVSA-N -1 0 446.434 4.080 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OCc2ccccc2)c1 ZINC000408812687 556862929 /nfs/dbraw/zinc/86/29/29/556862929.db2.gz NHXALUPSUROMOZ-HYARGMPZSA-N -1 0 442.471 4.249 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408813523 556865116 /nfs/dbraw/zinc/86/51/16/556865116.db2.gz UMHSDCGBCJPTPO-HYARGMPZSA-N -1 0 442.471 4.249 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C1CCCCC1 ZINC000408853301 556870272 /nfs/dbraw/zinc/87/02/72/556870272.db2.gz NEGSBCPJASGEPB-YBFXNURJSA-N -1 0 435.480 4.005 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3cccc(F)c3)C2=O)cc1 ZINC000408867213 556873957 /nfs/dbraw/zinc/87/39/57/556873957.db2.gz JKVJLJIBGUKRSQ-PXLXIMEGSA-N -1 0 430.435 4.092 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OCC ZINC000408871249 556875039 /nfs/dbraw/zinc/87/50/39/556875039.db2.gz XJMCQSMAGHKUFE-UVTDQMKNSA-N -1 0 446.862 4.333 40 10 IICBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c1 ZINC000408872084 556875226 /nfs/dbraw/zinc/87/52/26/556875226.db2.gz KDXSYTRXRIAFAJ-WOJGMQOQSA-N -1 0 443.297 4.077 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408880465 556876335 /nfs/dbraw/zinc/87/63/35/556876335.db2.gz HWZNJGRZWRTMHY-DEDYPNTBSA-N -1 0 446.434 4.080 40 10 IICBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000408894671 556880351 /nfs/dbraw/zinc/88/03/51/556880351.db2.gz KGHLUXXVOCPZII-STZFKDTASA-N -1 0 432.476 4.236 40 10 IICBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(O)ccc4ccccc43)C2=O)cc1 ZINC000408895171 556880417 /nfs/dbraw/zinc/88/04/17/556880417.db2.gz CSQYDUASCVWCLZ-QNGOZBTKSA-N -1 0 430.460 4.391 40 10 IICBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc2)c1 ZINC000408914594 556889822 /nfs/dbraw/zinc/88/98/22/556889822.db2.gz QZXZEIYXNPMCBT-LPYMAVHISA-N -1 0 430.435 4.380 40 10 IICBRM CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(CC)cc2)C1=O ZINC000408987577 556910178 /nfs/dbraw/zinc/91/01/78/556910178.db2.gz FUBRXRAMHSFNDB-ATVHPVEESA-N -1 0 443.297 4.077 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl ZINC000409049073 556932178 /nfs/dbraw/zinc/93/21/78/556932178.db2.gz VWXWJAWGVHPPIS-RIYZIHGNSA-N -1 0 435.263 4.154 40 10 IICBRM COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409056903 556934375 /nfs/dbraw/zinc/93/43/75/556934375.db2.gz NJJBMLLIQXKXAH-LFYBBSHMSA-N -1 0 425.655 4.322 40 10 IICBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)[N-]C2=S)c1C ZINC000409135267 556969143 /nfs/dbraw/zinc/96/91/43/556969143.db2.gz XWGWEPYIOMOQNY-QGOAFFKASA-N -1 0 437.540 4.264 40 10 IICBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1Cl ZINC000409168882 556983196 /nfs/dbraw/zinc/98/31/96/556983196.db2.gz UVIDFPLTYNFWQR-WDGDVPDHSA-N -1 0 444.940 4.357 40 10 IICBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C(=O)[N-]C1=S ZINC000409175310 556985475 /nfs/dbraw/zinc/98/54/75/556985475.db2.gz ZYDIMLKKEIKKCK-XMHGGMMESA-N -1 0 445.544 4.242 40 10 IICBRM CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O ZINC000409209754 557004132 /nfs/dbraw/zinc/00/41/32/557004132.db2.gz IITCTLQSQCMVNY-WQRHYEAKSA-N -1 0 443.477 4.333 40 10 IICBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)cc1 ZINC000409237563 557019111 /nfs/dbraw/zinc/01/91/11/557019111.db2.gz XLIPPXRDEMBCMJ-KGENOOAVSA-N -1 0 431.517 4.138 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409235702 557026501 /nfs/dbraw/zinc/02/65/01/557026501.db2.gz DAKCYIATKGDPCC-LDADJPATSA-N -1 0 448.910 4.426 40 10 IICBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000409245435 557027218 /nfs/dbraw/zinc/02/72/18/557027218.db2.gz SWROVODVGODORO-OQLLNIDSSA-N -1 0 428.231 4.315 40 10 IICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C1=O ZINC000409247420 557028502 /nfs/dbraw/zinc/02/85/02/557028502.db2.gz HEJRXPZVQYDXKD-RVDMUPIBSA-N -1 0 427.863 4.054 40 10 IICBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409329657 557064074 /nfs/dbraw/zinc/06/40/74/557064074.db2.gz HDSIVRNDAOUICI-OVCLIPMQSA-N -1 0 447.450 4.013 40 10 IICBRM COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OCC(=O)[O-] ZINC000409344204 557071500 /nfs/dbraw/zinc/07/15/00/557071500.db2.gz ICDLAOOOLIYAFU-DHDCSXOGSA-N -1 0 435.910 4.218 40 10 IICBRM COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)[O-] ZINC000409339268 557074592 /nfs/dbraw/zinc/07/45/92/557074592.db2.gz GJXICJVZHFWINX-RQZCQDPDSA-N -1 0 447.559 4.286 40 10 IICBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409373792 557090315 /nfs/dbraw/zinc/09/03/15/557090315.db2.gz VYSXVJPRQIMKND-UDWIEESQSA-N -1 0 436.851 4.174 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409391204 557095723 /nfs/dbraw/zinc/09/57/23/557095723.db2.gz HYRWMNGBYAYUEY-LDADJPATSA-N -1 0 434.883 4.117 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 ZINC000409407558 557107169 /nfs/dbraw/zinc/10/71/69/557107169.db2.gz MPEYJANVDDIOMS-UYRXBGFRSA-N -1 0 449.304 4.490 40 10 IICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC(C)C)c(Br)c2)C1=O ZINC000014133149 557421777 /nfs/dbraw/zinc/42/17/77/557421777.db2.gz MLEUPKPKRHKXLC-XNTDXEJSSA-N -1 0 443.297 4.211 40 10 IICBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)[O-] ZINC000016915617 557475937 /nfs/dbraw/zinc/47/59/37/557475937.db2.gz GLKCANPMKNFNKV-WOJGMQOQSA-N -1 0 429.519 4.263 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000059194095 557818251 /nfs/dbraw/zinc/81/82/51/557818251.db2.gz FICNKQXJZIENIH-XSFVSMFZSA-N -1 0 432.451 4.265 40 10 IICBRM O=C1/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000059514494 557827030 /nfs/dbraw/zinc/82/70/30/557827030.db2.gz VDRZOZGJLHDQPD-WLRTZDKTSA-N -1 0 437.842 4.268 40 10 IICBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(C(N)=O)cc2)o1 ZINC000101651778 568847507 /nfs/dbraw/zinc/84/75/07/568847507.db2.gz VILCYENATODQJO-BOPFTXTBSA-N -1 0 449.850 4.203 40 10 IICBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000108059304 569252148 /nfs/dbraw/zinc/25/21/48/569252148.db2.gz UCVVSELWZOXRDX-HMAPJEAMSA-N -1 0 445.519 4.322 40 10 IICBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1 ZINC000033702466 569259655 /nfs/dbraw/zinc/25/96/55/569259655.db2.gz YKGPEVGGFCIKAM-DEDYPNTBSA-N -1 0 434.879 4.389 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000033784649 569259946 /nfs/dbraw/zinc/25/99/46/569259946.db2.gz SNBMTSQHNRTPBP-UNOMPAQXSA-N -1 0 449.850 4.289 40 10 IICBRM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 ZINC000011859560 569303100 /nfs/dbraw/zinc/30/31/00/569303100.db2.gz OWNXZFIABYXDMT-WXFUMESZSA-N -1 0 445.494 4.251 40 10 IICBRM O=C([O-])c1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000002307250 555767557 /nfs/dbraw/zinc/76/75/57/555767557.db2.gz HFWQABYFINSMAW-LFIBNONCSA-N -1 0 446.937 4.268 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 ZINC000408739784 556210938 /nfs/dbraw/zinc/21/09/38/556210938.db2.gz FQGWISNOTZZDRS-OEAKJJBVSA-N -1 0 443.503 4.386 40 10 IICBRM COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408755888 556238675 /nfs/dbraw/zinc/23/86/75/556238675.db2.gz PVDXQYFVACRNNQ-JCMHNJIXSA-N -1 0 444.512 4.106 40 10 IICBRM COc1cc(C=C2SC(Nc3ccc(Cl)c(C(=O)[O-])c3)=NC2=O)cc(OC)c1OC ZINC000016195168 556589879 /nfs/dbraw/zinc/58/98/79/556589879.db2.gz QMWLRUKTKBGSRH-PXNMLYILSA-N -1 0 448.884 4.146 40 10 IICBRM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000016692354 556627613 /nfs/dbraw/zinc/62/76/13/556627613.db2.gz QZFAHVUDPAIYKF-ZROIWOOFSA-N -1 0 449.688 4.168 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC ZINC000408799721 556857854 /nfs/dbraw/zinc/85/78/54/556857854.db2.gz HXDQFHOFYGWABA-LICLKQGHSA-N -1 0 442.899 4.421 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C ZINC000408800325 556858083 /nfs/dbraw/zinc/85/80/83/556858083.db2.gz LZKNREADDCKFMI-LICLKQGHSA-N -1 0 428.872 4.192 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC ZINC000408802456 556859359 /nfs/dbraw/zinc/85/93/59/556859359.db2.gz FGMPLLXJEMZSML-MDWZMJQESA-N -1 0 435.263 4.067 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000408802228 556859404 /nfs/dbraw/zinc/85/94/04/556859404.db2.gz XTJYGJLXLSPVIF-NTUHNPAUSA-N -1 0 449.688 4.086 40 10 IICBRM O=C1[N-]C(=O)C(=Cc2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc32)C(=O)N1 ZINC000408803631 556859819 /nfs/dbraw/zinc/85/98/19/556859819.db2.gz RJHUCAIJMVHMLK-UHFFFAOYSA-N -1 0 441.270 4.475 40 10 IICBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000408815311 556863170 /nfs/dbraw/zinc/86/31/70/556863170.db2.gz JBEVEGKPZMMYLS-JLHYYAGUSA-N -1 0 438.336 4.264 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1Br ZINC000408819900 556866033 /nfs/dbraw/zinc/86/60/33/556866033.db2.gz YYBLPHUPBBHILE-XNTDXEJSSA-N -1 0 443.297 4.131 40 10 IICBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000408848129 556869505 /nfs/dbraw/zinc/86/95/05/556869505.db2.gz PJBCMERFYBYIPZ-LPYMAVHISA-N -1 0 429.476 4.083 40 10 IICBRM CC(=O)c1cccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)o2)c1 ZINC000408856294 556872222 /nfs/dbraw/zinc/87/22/22/556872222.db2.gz JVGWOKOEPSQQHF-FYJGNVAPSA-N -1 0 428.444 4.432 40 10 IICBRM CCCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408894330 556880361 /nfs/dbraw/zinc/88/03/61/556880361.db2.gz CBLWCIKXFHIOOI-VBKFSLOCSA-N -1 0 443.297 4.213 40 10 IICBRM O=C1/C(=C\c2cc(Br)c([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000408903004 556885561 /nfs/dbraw/zinc/88/55/61/556885561.db2.gz UCOMGYQSOKBBPS-MDWZMJQESA-N -1 0 437.296 4.469 40 10 IICBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 ZINC000409019839 556924023 /nfs/dbraw/zinc/92/40/23/556924023.db2.gz YGJCVLJZHJSJPT-LDADJPATSA-N -1 0 425.872 4.101 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409103235 556956819 /nfs/dbraw/zinc/95/68/19/556956819.db2.gz VNHBLBRNBOLOJR-NTEUORMPSA-N -1 0 448.281 4.399 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409149885 556974561 /nfs/dbraw/zinc/97/45/61/556974561.db2.gz UHGBXVMMSOOKSU-OEAKJJBVSA-N -1 0 427.504 4.373 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000409237356 557019244 /nfs/dbraw/zinc/01/92/44/557019244.db2.gz WDNAYGRSBIHXTN-LPYMAVHISA-N -1 0 444.560 4.444 40 10 IICBRM COc1cccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)c2C)c1 ZINC000409237808 557019430 /nfs/dbraw/zinc/01/94/30/557019430.db2.gz JQUTZCGXPDQISI-BKUYFWCQSA-N -1 0 445.544 4.242 40 10 IICBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000409231093 557022708 /nfs/dbraw/zinc/02/27/08/557022708.db2.gz BJEILKUMOUJARJ-ZROIWOOFSA-N -1 0 428.231 4.315 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)cc1Cl ZINC000409235044 557026304 /nfs/dbraw/zinc/02/63/04/557026304.db2.gz NPRLYLOQJQRQTF-MHWRWJLKSA-N -1 0 443.931 4.219 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)cc1Cl ZINC000409246037 557027640 /nfs/dbraw/zinc/02/76/40/557027640.db2.gz CYGJNDBXOACQAY-AHEGLGOKSA-N -1 0 425.941 4.102 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1F ZINC000409246729 557028207 /nfs/dbraw/zinc/02/82/07/557028207.db2.gz ASKMRDGXGAAEIB-QGOAFFKASA-N -1 0 433.508 4.373 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409242151 557032268 /nfs/dbraw/zinc/03/22/68/557032268.db2.gz MYBXNINSNAPZSZ-HYARGMPZSA-N -1 0 442.519 4.453 40 10 IICBRM CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409331850 557065511 /nfs/dbraw/zinc/06/55/11/557065511.db2.gz OUBZAHATKWWRBB-MHWRWJLKSA-N -1 0 432.479 4.114 40 10 IICBRM CCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1OCC ZINC000409347354 557075544 /nfs/dbraw/zinc/07/55/44/557075544.db2.gz PMIPBSPXXPYCKW-ATVHPVEESA-N -1 0 448.591 4.482 40 10 IICBRM C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc21 ZINC000208197043 557078986 /nfs/dbraw/zinc/07/89/86/557078986.db2.gz IEVOADZTUMGJSD-IQGJIOQQSA-N -1 0 437.540 4.379 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1 ZINC000208198388 557079319 /nfs/dbraw/zinc/07/93/19/557079319.db2.gz XNPTUJRMXISKMP-NPRIEWAGSA-N -1 0 433.508 4.084 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409394084 557098163 /nfs/dbraw/zinc/09/81/63/557098163.db2.gz VJPQIICNEWZOCT-PXLXIMEGSA-N -1 0 436.471 4.309 40 10 IICBRM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ncccc2C)cc1 ZINC000103922152 557141357 /nfs/dbraw/zinc/14/13/57/557141357.db2.gz SSGFISQIIDZYIR-PGMHBOJBSA-N -1 0 443.463 4.444 40 10 IICBRM CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)o2)cc1 ZINC000113836391 557307593 /nfs/dbraw/zinc/30/75/93/557307593.db2.gz UGYNMCMDWNUTRT-XSFVSMFZSA-N -1 0 444.443 4.098 40 10 IICBRM CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000222792002 557387385 /nfs/dbraw/zinc/38/73/85/557387385.db2.gz KCEICYKPYNNIDU-FCHUYYIVSA-N -1 0 434.565 4.488 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCC ZINC000014133028 557421461 /nfs/dbraw/zinc/42/14/61/557421461.db2.gz LTIKDTLQSCTJHQ-XNTDXEJSSA-N -1 0 428.872 4.112 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 ZINC000014132657 557421535 /nfs/dbraw/zinc/42/15/35/557421535.db2.gz QSAOGHVPMLQDOS-XSFVSMFZSA-N -1 0 442.471 4.249 40 10 IICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2cccc(F)c2)C1=O ZINC000014133098 557421734 /nfs/dbraw/zinc/42/17/34/557421734.db2.gz GGFOWYPMXPPSPS-XSFVSMFZSA-N -1 0 430.435 4.380 40 10 IICBRM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3nc(-c4ccc(Cl)cc4)cs3)cc2o1 ZINC000223331682 557460034 /nfs/dbraw/zinc/46/00/34/557460034.db2.gz ABZLUQNLESGXPU-UHFFFAOYSA-N -1 0 442.305 4.352 40 10 IICBRM CN(C)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000059135693 557815554 /nfs/dbraw/zinc/81/55/54/557815554.db2.gz HCWFKFWUMUCNRB-FMIVXFBMSA-N -1 0 448.317 4.326 40 10 IICBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000059138547 557816264 /nfs/dbraw/zinc/81/62/64/557816264.db2.gz APQSVHGANWSSPB-RVDMUPIBSA-N -1 0 446.326 4.314 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000059194093 557818209 /nfs/dbraw/zinc/81/82/09/557818209.db2.gz UOKHVROPEUCJEW-KGENOOAVSA-N -1 0 432.451 4.265 40 10 IICBRM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000059860857 557827845 /nfs/dbraw/zinc/82/78/45/557827845.db2.gz JAESJNURPHWXMV-NTEUORMPSA-N -1 0 445.269 4.281 40 10 IICBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000033367306 569259129 /nfs/dbraw/zinc/25/91/29/569259129.db2.gz LYMZFIVRDACKRQ-YDRQLGOLSA-N -1 0 445.313 4.096 40 10 IICBRM CC[C@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC ZINC000033383370 569259198 /nfs/dbraw/zinc/25/91/98/569259198.db2.gz QVLRZCHGIOOJNY-MFVBVHDHSA-N -1 0 445.313 4.096 40 10 IICBRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000137615971 569261110 /nfs/dbraw/zinc/26/11/10/569261110.db2.gz SSTLTKMMSXUQJD-UHFFFAOYSA-N -1 0 431.897 4.389 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)cc1C ZINC000009259873 132311416 /nfs/dbraw/zinc/31/14/16/132311416.db2.gz BCQVDFWLIVLGLG-IUXPMGMMSA-N -1 0 438.281 4.214 40 10 IICBRM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408532942 555745270 /nfs/dbraw/zinc/74/52/70/555745270.db2.gz RPZLRCSHFQPKKA-LCYFTJDESA-N -1 0 426.274 4.058 40 10 IICBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000408547045 555802126 /nfs/dbraw/zinc/80/21/26/555802126.db2.gz HMUDNBHHPSLNNP-UNOMPAQXSA-N -1 0 437.839 4.300 40 10 IICBRM COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000035127314 555831730 /nfs/dbraw/zinc/83/17/30/555831730.db2.gz KSXHIPIZXPJCPX-ZHZULCJRSA-N -1 0 448.862 4.029 40 10 IICBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(Br)=C1C(C)=NN(c2ccccc2)C1=O ZINC000003845628 555948025 /nfs/dbraw/zinc/94/80/25/555948025.db2.gz RMYWIKONPQRBGB-NSURYPBFSA-N -1 0 437.297 4.097 40 10 IICBRM CC(=O)Nc1ccc(NN=C2C(=O)c3ccc(NC(C)=O)cc3C=C2S(=O)(=O)[O-])cc1 ZINC000004887194 556017519 /nfs/dbraw/zinc/01/75/19/556017519.db2.gz CECGUGFIJCQUOO-WCWDXBQESA-N -1 0 442.453 4.124 40 10 IICBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1C ZINC000408692573 556095854 /nfs/dbraw/zinc/09/58/54/556095854.db2.gz PNFHLDUVGOAFBX-WOJGMQOQSA-N -1 0 441.915 4.161 40 10 IICBRM CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(=O)C2=C([O-])C(CO)NC2=O)[C@@H]1/C=C/C=C/C[C@H](C)O ZINC000514288279 556624798 /nfs/dbraw/zinc/62/47/98/556624798.db2.gz AJDLKWSYDPWRCH-GPZHIQJDSA-N -1 0 443.584 4.208 40 10 biogenic,in-vitro IICBRM CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)[O-] ZINC000013914985 556662120 /nfs/dbraw/zinc/66/21/20/556662120.db2.gz HSQMRMPIMORJGD-NTEUORMPSA-N -1 0 449.688 4.372 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)cc1 ZINC000017101889 556666285 /nfs/dbraw/zinc/66/62/85/556666285.db2.gz OPPUREUZQIWBHR-MFOYZWKCSA-N -1 0 438.281 4.159 40 10 IICBRM COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3C(=O)[O-])c2C)cc1 ZINC000017211420 556673396 /nfs/dbraw/zinc/67/33/96/556673396.db2.gz QNWOKZPUFYMYEW-IZHYLOQSSA-N -1 0 435.440 4.291 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C2=O)cc1 ZINC000408760202 556687294 /nfs/dbraw/zinc/68/72/94/556687294.db2.gz UJTDACWWRAHIAS-HYARGMPZSA-N -1 0 429.476 4.078 40 10 IICBRM O=C([O-])c1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000001214002 556767619 /nfs/dbraw/zinc/76/76/19/556767619.db2.gz ZLDLRMXBPMWDMZ-GHRIWEEISA-N -1 0 426.519 4.005 40 10 IICBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000408776950 556850566 /nfs/dbraw/zinc/85/05/66/556850566.db2.gz TUGYXPBIFVLSON-BJMVGYQFSA-N -1 0 427.696 4.184 40 10 IICBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408807567 556858918 /nfs/dbraw/zinc/85/89/18/556858918.db2.gz DDLNIKSKMCGOBW-MHWRWJLKSA-N -1 0 428.872 4.112 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)C ZINC000408803671 556859964 /nfs/dbraw/zinc/85/99/64/556859964.db2.gz RVQSALBXKQIJKL-RIYZIHGNSA-N -1 0 449.290 4.456 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCC ZINC000408808445 556861521 /nfs/dbraw/zinc/86/15/21/556861521.db2.gz PQVBDAIRVULDOB-MHWRWJLKSA-N -1 0 442.899 4.421 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OC(C)C)c1 ZINC000408810813 556862545 /nfs/dbraw/zinc/86/25/45/556862545.db2.gz UWNCUPMZAPENQQ-RQZCQDPDSA-N -1 0 428.872 4.111 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000408816251 556863609 /nfs/dbraw/zinc/86/36/09/556863609.db2.gz YCYVNUCAEHLMKX-XNTDXEJSSA-N -1 0 428.872 4.112 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408867394 556873891 /nfs/dbraw/zinc/87/38/91/556873891.db2.gz KRIRMFIEPPHUBM-ZHZULCJRSA-N -1 0 444.512 4.106 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3cccc(F)c3)C2=O)cc1 ZINC000408884362 556877663 /nfs/dbraw/zinc/87/76/63/556877663.db2.gz UGEHBVDMUPRFDV-XQNSMLJCSA-N -1 0 444.462 4.482 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OCc1ccccc1 ZINC000408900152 556882110 /nfs/dbraw/zinc/88/21/10/556882110.db2.gz RSWBQITXYOVSGF-KGENOOAVSA-N -1 0 442.471 4.249 40 10 IICBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(O)c(Cl)c1 ZINC000408934183 556895196 /nfs/dbraw/zinc/89/51/96/556895196.db2.gz CTHWZYDNQCNQEG-YHYXMXQVSA-N -1 0 445.180 4.384 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccccc4F)c3)C2=O)cc1 ZINC000408935479 556895488 /nfs/dbraw/zinc/89/54/88/556895488.db2.gz HHGRFZMHYUNRCC-STZFKDTASA-N -1 0 430.435 4.380 40 10 IICBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409122591 556962062 /nfs/dbraw/zinc/96/20/62/556962062.db2.gz ABIMAXRDEHJXHA-GYZOOYGHSA-N -1 0 438.549 4.321 40 10 IICBRM COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)c2c1 ZINC000409140219 556971961 /nfs/dbraw/zinc/97/19/61/556971961.db2.gz GNQAFMHBUDGCQL-DEDYPNTBSA-N -1 0 446.528 4.305 40 10 IICBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)c2C)cc1 ZINC000409187651 556988276 /nfs/dbraw/zinc/98/82/76/556988276.db2.gz SWDVCCPRSVTACE-XSFVSMFZSA-N -1 0 447.466 4.298 40 10 IICBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1OC ZINC000409216239 557011205 /nfs/dbraw/zinc/01/12/05/557011205.db2.gz GLXMKKNAKSLDSN-SDNWHVSQSA-N -1 0 449.290 4.457 40 10 IICBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000409228766 557015603 /nfs/dbraw/zinc/01/56/03/557015603.db2.gz DTQTVLCYQBGYBU-QGOAFFKASA-N -1 0 441.434 4.327 40 10 IICBRM CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cccc1OC ZINC000409231044 557022650 /nfs/dbraw/zinc/02/26/50/557022650.db2.gz HWFLBQZUXDUMOM-APVMCDBPSA-N -1 0 438.549 4.321 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409244483 557026421 /nfs/dbraw/zinc/02/64/21/557026421.db2.gz DGUPMMFDZDAGAT-KGENOOAVSA-N -1 0 444.560 4.444 40 10 IICBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000409394238 557098523 /nfs/dbraw/zinc/09/85/23/557098523.db2.gz XLPDWFJFUDZCBW-LFIBNONCSA-N -1 0 425.853 4.146 40 10 IICBRM Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000106953494 557162045 /nfs/dbraw/zinc/16/20/45/557162045.db2.gz UYQOYAFBZJZELV-JMIUGGIZSA-N -1 0 449.919 4.216 40 10 IICBRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000010112163 557204498 /nfs/dbraw/zinc/20/44/98/557204498.db2.gz WMTWDPOIABAADI-UHFFFAOYSA-N -1 0 449.576 4.326 40 10 IICBRM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000102881698 557309591 /nfs/dbraw/zinc/30/95/91/557309591.db2.gz UBLVHNMNKQOCOW-GHRIWEEISA-N -1 0 441.459 4.128 40 10 IICBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223533256 557482870 /nfs/dbraw/zinc/48/28/70/557482870.db2.gz JGIKVJFWQSNCFR-YIRPMMGJSA-N -1 0 447.535 4.474 40 10 IICBRM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(OC)c1 ZINC000059135797 557815550 /nfs/dbraw/zinc/81/55/50/557815550.db2.gz ASICCYJPJSNDGS-FOWTUZBSSA-N -1 0 427.501 4.352 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000059194085 557818213 /nfs/dbraw/zinc/81/82/13/557818213.db2.gz DUNBDAKMMHYZPQ-CPNJWEJPSA-N -1 0 434.879 4.389 40 10 IICBRM O=C([O-])c1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000001894861 562925294 /nfs/dbraw/zinc/92/52/94/562925294.db2.gz KMJQRLFWICNYKU-PTNGSMBKSA-N -1 0 432.548 4.066 40 10 IICBRM Cc1cccc(OCCCOc2cccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)c2)c1 ZINC000009425569 568794382 /nfs/dbraw/zinc/79/43/82/568794382.db2.gz MTADTLZWHSWHMB-HKOYGPOVSA-N -1 0 428.488 4.304 40 10 IICBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 ZINC000096504871 569250138 /nfs/dbraw/zinc/25/01/38/569250138.db2.gz JLCKJEUBZHJWQO-GZTJUZNOSA-N -1 0 437.253 4.142 40 10 IICBRM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1 ZINC000033702464 569259563 /nfs/dbraw/zinc/25/95/63/569259563.db2.gz YKGPEVGGFCIKAM-MOSHPQCFSA-N -1 0 434.879 4.389 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OC(C)(C)C ZINC000033740407 569259731 /nfs/dbraw/zinc/25/97/31/569259731.db2.gz RZVDIHGVCJCEPF-GDNBJRDFSA-N -1 0 445.313 4.096 40 10 IICBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(C)c1O ZINC000038182234 569260226 /nfs/dbraw/zinc/26/02/26/569260226.db2.gz DDFHGPBJFIBCNM-OQLLNIDSSA-N -1 0 431.311 4.443 40 10 IICBRM COc1cc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000210936336 569261493 /nfs/dbraw/zinc/26/14/93/569261493.db2.gz NTUNPEYIKWDFLG-MTUBTWAWSA-N -1 0 432.885 4.283 40 10 IICBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000009259395 132311425 /nfs/dbraw/zinc/31/14/25/132311425.db2.gz JPEMFESXJMJHJY-SEJMYLSOSA-N -1 0 432.904 4.488 40 10 IICBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000012130575 526317107 /nfs/dbraw/zinc/31/71/07/526317107.db2.gz UBCIKZQFZPMNKY-LTBFUDJGSA-N -1 0 434.336 4.476 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000002221182 536184285 /nfs/dbraw/zinc/18/42/85/536184285.db2.gz YHQBNCJKHSSODT-CPNJWEJPSA-N -1 0 431.404 4.084 40 10 IICBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1Br ZINC000408693908 556099927 /nfs/dbraw/zinc/09/99/27/556099927.db2.gz BBNPUYHEWDMPQE-JXCQQFQQSA-N -1 0 435.318 4.031 40 10 IICBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408755707 556238357 /nfs/dbraw/zinc/23/83/57/556238357.db2.gz DTDQTXOUXANZAO-FYJGNVAPSA-N -1 0 428.492 4.081 40 10 IICBRM CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)c2C)cc1 ZINC000408762762 556828955 /nfs/dbraw/zinc/82/89/55/556828955.db2.gz LCTLVTWMAAXFAH-XSFVSMFZSA-N -1 0 431.467 4.462 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1 ZINC000408781378 556855829 /nfs/dbraw/zinc/85/58/29/556855829.db2.gz CSAZPTOBVVBKIM-FOWTUZBSSA-N -1 0 444.472 4.282 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408806656 556859211 /nfs/dbraw/zinc/85/92/11/556859211.db2.gz GDPLQRIRJIBTRU-OVCLIPMQSA-N -1 0 449.290 4.456 40 10 IICBRM CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408803520 556860007 /nfs/dbraw/zinc/86/00/07/556860007.db2.gz PZRLMIRUUKECOZ-RIYZIHGNSA-N -1 0 435.263 4.067 40 10 IICBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1C ZINC000408809603 556861842 /nfs/dbraw/zinc/86/18/42/556861842.db2.gz HNDFXCGLHHZADA-OEAKJJBVSA-N -1 0 442.471 4.254 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC(C)C)ccc4ccccc43)C2=O)cc1 ZINC000408819475 556865228 /nfs/dbraw/zinc/86/52/28/556865228.db2.gz XHJBHTODNCAQNK-KGENOOAVSA-N -1 0 430.460 4.302 40 10 IICBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)cc2)c1 ZINC000408868789 556874108 /nfs/dbraw/zinc/87/41/08/556874108.db2.gz BIXFDOKBKIRATO-ZHZULCJRSA-N -1 0 430.435 4.380 40 10 IICBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408869390 556874531 /nfs/dbraw/zinc/87/45/31/556874531.db2.gz CRSQHHBYDJQTKL-VCHYOVAHSA-N -1 0 443.297 4.131 40 10 IICBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408870972 556875019 /nfs/dbraw/zinc/87/50/19/556875019.db2.gz WJSJYQLQSRUCLU-NTEUORMPSA-N -1 0 449.688 4.168 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3ccccc3F)C2=O)cc1 ZINC000408881457 556878288 /nfs/dbraw/zinc/87/82/88/556878288.db2.gz MILJTUFNPKOPIU-CJLVFECKSA-N -1 0 444.462 4.482 40 10 IICBRM CC(C)(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408900501 556882315 /nfs/dbraw/zinc/88/23/15/556882315.db2.gz TWMPJUIZSULVNT-SFQUDFHCSA-N -1 0 427.298 4.413 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000408936536 556895980 /nfs/dbraw/zinc/89/59/80/556895980.db2.gz KWSOYRMABQWUJO-BKUYFWCQSA-N -1 0 448.862 4.291 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccccc4)c3)C2=O)cc1 ZINC000408937830 556896892 /nfs/dbraw/zinc/89/68/92/556896892.db2.gz PFANETNAHKKUFD-KQWNVCNZSA-N -1 0 426.472 4.494 40 10 IICBRM Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000408962512 556901560 /nfs/dbraw/zinc/90/15/60/556901560.db2.gz YSTODYHHPZCALN-CPNJWEJPSA-N -1 0 425.941 4.080 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl ZINC000409056233 556933822 /nfs/dbraw/zinc/93/38/22/556933822.db2.gz LFSWNKDIXZGQSH-OQLLNIDSSA-N -1 0 449.290 4.457 40 10 IICBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409128917 556966858 /nfs/dbraw/zinc/96/68/58/556966858.db2.gz PXDVFRKDVXRLLV-OQLLNIDSSA-N -1 0 444.940 4.195 40 10 IICBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C(=O)[N-]C1=S ZINC000409169285 556983545 /nfs/dbraw/zinc/98/35/45/556983545.db2.gz WRWCMNKKWYVYRS-GHRIWEEISA-N -1 0 449.507 4.073 40 10 IICBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000409239851 557020961 /nfs/dbraw/zinc/02/09/61/557020961.db2.gz QYGGLUJSHGGBGT-XDHOZWIPSA-N -1 0 439.899 4.005 40 10 IICBRM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1OC(C)C ZINC000409243465 557033403 /nfs/dbraw/zinc/03/34/03/557033403.db2.gz WOLLZXYFMMFMDZ-RVDMUPIBSA-N -1 0 428.872 4.111 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC ZINC000409251418 557036679 /nfs/dbraw/zinc/03/66/79/557036679.db2.gz QFCYOTOGMZOJOW-XNTDXEJSSA-N -1 0 444.940 4.277 40 10 IICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(F)cc2)C1=O ZINC000014133099 557421791 /nfs/dbraw/zinc/42/17/91/557421791.db2.gz CJUUHHCCZHOIOC-XSFVSMFZSA-N -1 0 430.435 4.380 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cc1ccccc1 ZINC000059336662 557822181 /nfs/dbraw/zinc/82/21/81/557822181.db2.gz OVFBFKYEKQAQKN-RCCKNPSSSA-N -1 0 430.435 4.092 40 10 IICBRM CC(=O)n1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)c2ccccc21 ZINC000012380265 518498382 /nfs/dbraw/zinc/49/83/82/518498382.db2.gz QMBYSEIGPRXIGY-MOSHPQCFSA-N -1 0 439.496 4.286 40 10 IICBRM CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCCCC2 ZINC000035861223 521411502 /nfs/dbraw/zinc/41/15/02/521411502.db2.gz XCVAABAQVYBWMI-NONVJHHQSA-N -1 0 431.554 4.435 40 10 IICBRM COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000033331155 521925249 /nfs/dbraw/zinc/92/52/49/521925249.db2.gz CKWWCAAABKDMNQ-PDGQHHTCSA-N -1 0 434.379 4.379 40 10 IICBRM N=C1/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000041077895 526835868 /nfs/dbraw/zinc/83/58/68/526835868.db2.gz IEKJBZGHYSCTTQ-HUMIGVHUSA-N -1 0 448.485 4.374 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3c(C)cc(Br)cc3C)C2=O)cc1C ZINC000408537184 555769295 /nfs/dbraw/zinc/76/92/95/555769295.db2.gz ZKQJYPHJSFMNNK-LICLKQGHSA-N -1 0 442.313 4.262 40 10 IICBRM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000035224125 556023420 /nfs/dbraw/zinc/02/34/20/556023420.db2.gz XFRUHYORVVMQMS-XNTDXEJSSA-N -1 0 446.301 4.391 40 10 IICBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)o2)c(Br)c1 ZINC000408692043 556094091 /nfs/dbraw/zinc/09/40/91/556094091.db2.gz CBEITSBWJWKWFW-WJDWOHSUSA-N -1 0 443.297 4.422 40 10 IICBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)[N-]C2=S)c1 ZINC000408741979 556215601 /nfs/dbraw/zinc/21/56/01/556215601.db2.gz TZOXHUAUUXZBJK-HMAPJEAMSA-N -1 0 445.544 4.324 40 10 IICBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)c(OCC(=O)[O-])c(Br)c1 ZINC000009323840 556281689 /nfs/dbraw/zinc/28/16/89/556281689.db2.gz SLCCVDGMGAFLNE-CXUHLZMHSA-N -1 0 429.270 4.027 40 10 IICBRM Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124728 556533674 /nfs/dbraw/zinc/53/36/74/556533674.db2.gz IBLDFTFJAAFHKJ-CXUHLZMHSA-N -1 0 446.531 4.340 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408786360 556856507 /nfs/dbraw/zinc/85/65/07/556856507.db2.gz IHIJDEGYAYOMCK-KGENOOAVSA-N -1 0 430.435 4.380 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1 ZINC000408815342 556863190 /nfs/dbraw/zinc/86/31/90/556863190.db2.gz QCYAITYCFQYEPT-HZHRSRAPSA-N -1 0 442.471 4.249 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)cc3)C2=O)cc1 ZINC000408885366 556877942 /nfs/dbraw/zinc/87/79/42/556877942.db2.gz ZZDRNELPXAVXPM-CJLVFECKSA-N -1 0 444.462 4.482 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000408893014 556881739 /nfs/dbraw/zinc/88/17/39/556881739.db2.gz DRTJAVCFSXGGTH-CPNJWEJPSA-N -1 0 446.434 4.080 40 10 IICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)C)C2=O)ccc1Br ZINC000408900810 556882227 /nfs/dbraw/zinc/88/22/27/556882227.db2.gz VHAFKVFEZFYWGP-WJDWOHSUSA-N -1 0 443.297 4.211 40 10 IICBRM CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cccc1OC ZINC000408897908 556883273 /nfs/dbraw/zinc/88/32/73/556883273.db2.gz JOESTPAUZSUQBC-LVLBFHFTSA-N -1 0 428.872 4.192 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC(C)C ZINC000408915500 556890321 /nfs/dbraw/zinc/89/03/21/556890321.db2.gz WLSOWSWRICZSBU-LZYBPNLTSA-N -1 0 446.862 4.331 40 10 IICBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000408959743 556899696 /nfs/dbraw/zinc/89/96/96/556899696.db2.gz FAYFGUWZMRRILW-XMHGGMMESA-N -1 0 425.941 4.162 40 10 IICBRM CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408983112 556908318 /nfs/dbraw/zinc/90/83/18/556908318.db2.gz KPSYNLZAGMQZBS-AUWJEWJLSA-N -1 0 449.290 4.376 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000408990241 556911213 /nfs/dbraw/zinc/91/12/13/556911213.db2.gz WKJBUVBQCGXEMU-QGOAFFKASA-N -1 0 431.404 4.084 40 10 IICBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000409046876 556931475 /nfs/dbraw/zinc/93/14/75/556931475.db2.gz SDDOAZPSAMHPKD-FPYGCLRLSA-N -1 0 447.703 4.455 40 10 IICBRM COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000409050224 556932387 /nfs/dbraw/zinc/93/23/87/556932387.db2.gz SOYNZKKTABHHJZ-YRNVUSSQSA-N -1 0 425.655 4.322 40 10 IICBRM CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c1[O-] ZINC000409052068 556933357 /nfs/dbraw/zinc/93/33/57/556933357.db2.gz GFTLQUFMCZLSRP-MFOYZWKCSA-N -1 0 430.507 4.409 40 10 IICBRM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c1C ZINC000409096491 556953119 /nfs/dbraw/zinc/95/31/19/556953119.db2.gz LFNRDGQCLPHRMU-MHWRWJLKSA-N -1 0 446.370 4.027 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409132250 556963554 /nfs/dbraw/zinc/96/35/54/556963554.db2.gz ZCZUFRNQPFBFHC-DEDYPNTBSA-N -1 0 444.560 4.246 40 10 IICBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409215379 557010174 /nfs/dbraw/zinc/01/01/74/557010174.db2.gz ZYRMTOJWMWHWAC-OQLLNIDSSA-N -1 0 449.290 4.457 40 10 IICBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3OC)C(=O)[N-]C2=S)cc1 ZINC000409220931 557016463 /nfs/dbraw/zinc/01/64/63/557016463.db2.gz HWXCVWJCEUGAAP-RCCKNPSSSA-N -1 0 449.576 4.079 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccccc3C)c2C)C1=O ZINC000409222458 557017461 /nfs/dbraw/zinc/01/74/61/557017461.db2.gz XGCPESOSKZNOGF-HMMYKYKNSA-N -1 0 443.503 4.468 40 10 IICBRM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006144618 557020636 /nfs/dbraw/zinc/02/06/36/557020636.db2.gz OWNXZFIABYXDMT-TZRRMPRUSA-N -1 0 445.494 4.251 40 10 IICBRM CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)[N-]C2=S)cc1 ZINC000409231451 557023275 /nfs/dbraw/zinc/02/32/75/557023275.db2.gz KIRQHVMAGSRXIO-DEDYPNTBSA-N -1 0 437.540 4.381 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)C ZINC000409242401 557032362 /nfs/dbraw/zinc/03/23/62/557032362.db2.gz UQPNEQCQLITCRP-CXUHLZMHSA-N -1 0 444.940 4.276 40 10 IICBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 ZINC000409243932 557033800 /nfs/dbraw/zinc/03/38/00/557033800.db2.gz ZDVCGKWIDGAZBN-FYWRMAATSA-N -1 0 429.929 4.145 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409393259 557097474 /nfs/dbraw/zinc/09/74/74/557097474.db2.gz PKQDIJFVZIDNBO-YBFXNURJSA-N -1 0 434.883 4.117 40 10 IICBRM COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409409510 557108481 /nfs/dbraw/zinc/10/84/81/557108481.db2.gz VWHBAOSMCKUHIN-ZHZULCJRSA-N -1 0 434.879 4.389 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC(C)C ZINC000111507823 557228806 /nfs/dbraw/zinc/22/88/06/557228806.db2.gz MLLQCEBKSAVFOG-RQZCQDPDSA-N -1 0 442.899 4.419 40 10 IICBRM COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000102731609 557306397 /nfs/dbraw/zinc/30/63/97/557306397.db2.gz ZYIJZYQMDHLRTD-YBEGLDIGSA-N -1 0 438.486 4.059 40 10 IICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O ZINC000014132717 557421595 /nfs/dbraw/zinc/42/15/95/557421595.db2.gz MXVQDDHOJNRUSG-KGENOOAVSA-N -1 0 430.435 4.380 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OC(C)C ZINC000014133164 557421834 /nfs/dbraw/zinc/42/18/34/557421834.db2.gz DKDVHZKUTJGCCW-OQLLNIDSSA-N -1 0 428.872 4.111 40 10 IICBRM O=C1C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000059426375 557823579 /nfs/dbraw/zinc/82/35/79/557823579.db2.gz WXSXKVJHRZLYSF-UHFFFAOYSA-N -1 0 445.456 4.049 40 10 IICBRM Cc1ccc(N2C(=O)CC(N3C(=O)C(=CC=Cc4ccccc4)SC3=S)=C2[O-])cc1 ZINC000102882761 568890418 /nfs/dbraw/zinc/89/04/18/568890418.db2.gz DNRROVRYDPUHRR-REVFECOKSA-N -1 0 434.542 4.085 40 10 IICBRM COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1Cl ZINC000033704014 569259588 /nfs/dbraw/zinc/25/95/88/569259588.db2.gz VSGYYQSNNHGHGR-RGEXLXHISA-N -1 0 434.879 4.389 40 10 IICBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OC(C)C ZINC000033825027 569259956 /nfs/dbraw/zinc/25/99/56/569259956.db2.gz LRSLMYKAFNQGQF-YBEGLDIGSA-N -1 0 445.313 4.096 40 10 IICBRM COc1cc(C=C2SC(Nc3cccc(Cl)c3)=NC2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000210936289 569261476 /nfs/dbraw/zinc/26/14/76/569261476.db2.gz ICIKCMYTNJOUAO-JWHLFPLYSA-N -1 0 432.885 4.283 40 10 IICBRM COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)[N-]C1=S ZINC000009323776 132313818 /nfs/dbraw/zinc/31/38/18/132313818.db2.gz OMJRMKHPZDDQJF-DTQAZKPQSA-N -1 0 436.514 4.271 40 10 IICBRM O=C([O-])CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000012374709 527590080 /nfs/dbraw/zinc/59/00/80/527590080.db2.gz YQGDLHYELOLTHU-NTEUORMPSA-N -1 0 438.324 4.385 40 10 IICBRM CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408537674 555781736 /nfs/dbraw/zinc/78/17/36/555781736.db2.gz GTQMTXQGOIWLNN-RGEXLXHISA-N -1 0 438.480 4.026 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408692367 556095663 /nfs/dbraw/zinc/09/56/63/556095663.db2.gz KXDFHHOHNOUJJV-KGENOOAVSA-N -1 0 448.519 4.377 40 10 IICBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2Br)o1 ZINC000408695308 556097455 /nfs/dbraw/zinc/09/74/55/556097455.db2.gz RMOYFTTYUXOMBU-XNTDXEJSSA-N -1 0 447.260 4.253 40 10 IICBRM CC(=C\c1ccccc1)/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408756871 556236871 /nfs/dbraw/zinc/23/68/71/556236871.db2.gz XWYWUBAJTJBEQX-YAXRHUFXSA-N -1 0 425.282 4.370 40 10 IICBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000408772987 556848048 /nfs/dbraw/zinc/84/80/48/556848048.db2.gz ODKSIPZKRLSDCC-LPYMAVHISA-N -1 0 429.476 4.083 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC ZINC000408779710 556854059 /nfs/dbraw/zinc/85/40/59/556854059.db2.gz IOIKNQMOAPYGGM-LICLKQGHSA-N -1 0 442.899 4.421 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC ZINC000408782575 556855095 /nfs/dbraw/zinc/85/50/95/556855095.db2.gz IRAZJHIQKANJPN-RIYZIHGNSA-N -1 0 435.263 4.067 40 10 IICBRM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408805588 556860806 /nfs/dbraw/zinc/86/08/06/556860806.db2.gz HBHTWFAYNOZQAM-KPKJPENVSA-N -1 0 425.655 4.322 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408810792 556862443 /nfs/dbraw/zinc/86/24/43/556862443.db2.gz QAIYWLLGSQTRPL-MHWRWJLKSA-N -1 0 428.872 4.112 40 10 IICBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(F)cc3)C2=O)c1 ZINC000408817176 556864036 /nfs/dbraw/zinc/86/40/36/556864036.db2.gz ZWAITESQQJIJCH-KGENOOAVSA-N -1 0 430.435 4.380 40 10 IICBRM CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000408813728 556864948 /nfs/dbraw/zinc/86/49/48/556864948.db2.gz YKKOKZFMDNCRSI-RCCKNPSSSA-N -1 0 430.460 4.304 40 10 IICBRM COc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408855180 556871968 /nfs/dbraw/zinc/87/19/68/556871968.db2.gz DDNLMSUWIWSSDR-OEAKJJBVSA-N -1 0 443.503 4.386 40 10 IICBRM CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408902809 556885466 /nfs/dbraw/zinc/88/54/66/556885466.db2.gz LNUJZROMTNGITR-LVLBFHFTSA-N -1 0 443.297 4.293 40 10 IICBRM Cc1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408913833 556889348 /nfs/dbraw/zinc/88/93/48/556889348.db2.gz OAMQFSYTOPAFGK-FYJGNVAPSA-N -1 0 430.435 4.380 40 10 IICBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 ZINC000408934502 556895501 /nfs/dbraw/zinc/89/55/01/556895501.db2.gz DVFSMZWLYSAFGY-NTEUORMPSA-N -1 0 438.789 4.424 40 10 IICBRM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 ZINC000408986923 556909827 /nfs/dbraw/zinc/90/98/27/556909827.db2.gz NTNOXBZORSCBAK-WQRHYEAKSA-N -1 0 441.915 4.170 40 10 IICBRM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000409011942 556918387 /nfs/dbraw/zinc/91/83/87/556918387.db2.gz ICOFFEPAAVHVGU-MQHRVFIMSA-N -1 0 449.868 4.286 40 10 IICBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)c2C)cc1 ZINC000409127256 556965875 /nfs/dbraw/zinc/96/58/75/556965875.db2.gz CTBKDHKNHNJWKO-XDHOZWIPSA-N -1 0 427.526 4.061 40 10 IICBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409137999 556970435 /nfs/dbraw/zinc/97/04/35/556970435.db2.gz YCZCVHDZCJJDHL-IQFISFIMSA-N -1 0 438.549 4.321 40 10 IICBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C(=O)[N-]C1=S ZINC000409172438 556984050 /nfs/dbraw/zinc/98/40/50/556984050.db2.gz IBBCFJDUAWCZMM-XDHOZWIPSA-N -1 0 449.507 4.073 40 10 IICBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000409186840 556991137 /nfs/dbraw/zinc/99/11/37/556991137.db2.gz IMYFJUDTFHRBEY-PXLXIMEGSA-N -1 0 429.476 4.159 40 10 IICBRM O=C([O-])CN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC1=S ZINC000409209095 556998056 /nfs/dbraw/zinc/99/80/56/556998056.db2.gz FRJUSCCAZIPOFP-XDHOZWIPSA-N -1 0 438.530 4.006 40 10 IICBRM COc1ccc(/C=C/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409230198 557021902 /nfs/dbraw/zinc/02/19/02/557021902.db2.gz CJLLFUQFXNCKOK-VXTNGOHYSA-N -1 0 432.423 4.102 40 10 IICBRM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1OC(C)C ZINC000409230633 557022189 /nfs/dbraw/zinc/02/21/89/557022189.db2.gz DPXWCFADSCMDIF-MHWRWJLKSA-N -1 0 444.940 4.276 40 10 IICBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409231282 557022946 /nfs/dbraw/zinc/02/29/46/557022946.db2.gz JNWAYUGCGSAZMY-ZROIWOOFSA-N -1 0 428.231 4.315 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409248333 557029438 /nfs/dbraw/zinc/02/94/38/557029438.db2.gz PVAMSJPQTTWKMQ-DEDYPNTBSA-N -1 0 444.560 4.246 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409249856 557030257 /nfs/dbraw/zinc/03/02/57/557030257.db2.gz LZLMXAUVZSCMJZ-GHRIWEEISA-N -1 0 443.956 4.453 40 10 IICBRM Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)[N-]C1=S ZINC000409242856 557032942 /nfs/dbraw/zinc/03/29/42/557032942.db2.gz PJCZMIBTKGUVFN-PDGQHHTCSA-N -1 0 447.472 4.303 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1 ZINC000208198051 557079508 /nfs/dbraw/zinc/07/95/08/557079508.db2.gz ILTWAXCSAXVDPP-YIRPMMGJSA-N -1 0 447.535 4.474 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)cc1 ZINC000208445167 557087397 /nfs/dbraw/zinc/08/73/97/557087397.db2.gz GTUJDBYRGPGMFF-KGENOOAVSA-N -1 0 445.519 4.383 40 10 IICBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccc(F)c3)C1=O)C(C)=CC(C)(C)N2C ZINC000208454821 557088381 /nfs/dbraw/zinc/08/83/81/557088381.db2.gz HYZYECXLWWSWEH-RGVLZGJSSA-N -1 0 433.483 4.432 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409403690 557105058 /nfs/dbraw/zinc/10/50/58/557105058.db2.gz AONYAFLJQOAYRV-UNOMPAQXSA-N -1 0 434.879 4.389 40 10 IICBRM O=C1C(Cl)=CC([N+](=O)[O-])=CC1=NN=c1cc(S(=O)(=O)[O-])c2cccc3n[nH][nH]c1=c32 ZINC000104054888 557319462 /nfs/dbraw/zinc/31/94/62/557319462.db2.gz DCOVSEQSTYJJGF-HNENSFHCSA-N -1 0 448.804 4.040 40 10 IICBRM CCN(CC)c1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000225781536 557777451 /nfs/dbraw/zinc/77/74/51/557777451.db2.gz NOFIDHODWPPOAR-UHFFFAOYSA-N -1 0 437.565 4.264 40 10 IICBRM COc1cc(C=C2SC(Nc3cc(Cl)ccc3C)=NC2=O)ccc1OCC(=O)[O-] ZINC000033286186 557806991 /nfs/dbraw/zinc/80/69/91/557806991.db2.gz MUTJYUVDDKIJNR-IUXPMGMMSA-N -1 0 432.885 4.203 40 10 IICBRM O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc(Br)c1[O-] ZINC000058856518 557812163 /nfs/dbraw/zinc/81/21/63/557812163.db2.gz JGFXCDXEFWRJKZ-UHFFFAOYSA-N -1 0 446.091 4.061 40 10 IICBRM Cc1cc(N2CCCCC2)ccc1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000059104486 557814288 /nfs/dbraw/zinc/81/42/88/557814288.db2.gz RTHOSIAPKQDCTI-XDHOZWIPSA-N -1 0 433.464 4.221 40 10 IICBRM COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000059105193 557814560 /nfs/dbraw/zinc/81/45/60/557814560.db2.gz PRDPFVPKXNXQGJ-NYYWCZLTSA-N -1 0 435.219 4.237 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000059194163 557818265 /nfs/dbraw/zinc/81/82/65/557818265.db2.gz IYRQNQJDJIMPNB-UYRXBGFRSA-N -1 0 448.862 4.029 40 10 IICBRM O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000001151609 555656663 /nfs/dbraw/zinc/65/66/63/555656663.db2.gz SXEBXUSHYQFNOY-DFBITEFZSA-N -1 0 438.530 4.171 40 10 IICBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2cc(C)ccc2C)C1=O ZINC000408526157 555715303 /nfs/dbraw/zinc/71/53/03/555715303.db2.gz AALJCJWOJOYRNJ-LFIBNONCSA-N -1 0 442.313 4.207 40 10 IICBRM Cc1c(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1Br ZINC000408526170 555715329 /nfs/dbraw/zinc/71/53/29/555715329.db2.gz ATNSRRHAGQARGO-FMIVXFBMSA-N -1 0 448.704 4.298 40 10 IICBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C)cc2C)C1=O ZINC000408535202 555760816 /nfs/dbraw/zinc/76/08/16/555760816.db2.gz XXDPRXINAZYBQL-LFIBNONCSA-N -1 0 442.313 4.207 40 10 IICBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(N(C)C)cc2)C(=O)[O-])n[nH]1 ZINC000408631197 556002705 /nfs/dbraw/zinc/00/27/05/556002705.db2.gz FZAZLYMAEDXZPT-YVLHZVERSA-N -1 0 430.917 4.418 40 10 IICBRM CCCc1nc(SC(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[O-])n[nH]1 ZINC000408633528 556008317 /nfs/dbraw/zinc/00/83/17/556008317.db2.gz ZKGZSVGYRORDIG-GIJQJNRQSA-N -1 0 426.498 4.111 40 10 IICBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2C)cc1 ZINC000408692735 556096168 /nfs/dbraw/zinc/09/61/68/556096168.db2.gz UAANUVDSGWJDOY-XQNSMLJCSA-N -1 0 448.567 4.345 40 10 IICBRM Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000408756909 556236862 /nfs/dbraw/zinc/23/68/62/556236862.db2.gz KEUAYQNTGJNEQZ-NDENLUEZSA-N -1 0 448.910 4.426 40 10 IICBRM CCn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000015013075 556484081 /nfs/dbraw/zinc/48/40/81/556484081.db2.gz MGPKIZIOCYHJDC-BOPFTXTBSA-N -1 0 438.281 4.090 40 10 IICBRM Cc1nnc([N-]S(=O)(=O)c2ccc(NN=C3C=CC(=O)c4ncccc43)cc2)s1 ZINC000017824707 556679662 /nfs/dbraw/zinc/67/96/62/556679662.db2.gz SFILKVPTXQDZEH-QURGRASLSA-N -1 0 426.483 4.317 40 10 IICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000408790361 556856291 /nfs/dbraw/zinc/85/62/91/556856291.db2.gz QSCJJLVTCBUUAP-NTCAYCPXSA-N -1 0 444.472 4.282 40 10 IICBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408800984 556858383 /nfs/dbraw/zinc/85/83/83/556858383.db2.gz QVMPNTUSJJRSBS-SFQUDFHCSA-N -1 0 443.297 4.213 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408801310 556858669 /nfs/dbraw/zinc/85/86/69/556858669.db2.gz VBOCRUWPNQIISZ-MHWRWJLKSA-N -1 0 428.872 4.192 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408802029 556858824 /nfs/dbraw/zinc/85/88/24/556858824.db2.gz YCYRJOCUTIIPEB-OVCLIPMQSA-N -1 0 449.290 4.457 40 10 IICBRM 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Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)[N-]C1=S ZINC000409074596 556943321 /nfs/dbraw/zinc/94/33/21/556943321.db2.gz UAAADOZDVLPPMM-SFQUDFHCSA-N -1 0 439.899 4.410 40 10 IICBRM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1OC(C)C ZINC000409107417 556959417 /nfs/dbraw/zinc/95/94/17/556959417.db2.gz RTFDBBHMMGDHKG-JLHYYAGUSA-N -1 0 449.290 4.456 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409142757 556975190 /nfs/dbraw/zinc/97/51/90/556975190.db2.gz DCUJOEYWHVZZRG-HYARGMPZSA-N -1 0 427.504 4.373 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000409228357 557014991 /nfs/dbraw/zinc/01/49/91/557014991.db2.gz XUCDWVUEJQPUGO-QNGOZBTKSA-N -1 0 443.503 4.468 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C1=O ZINC000409222216 557017140 /nfs/dbraw/zinc/01/71/40/557017140.db2.gz WCZRUTUFSHTXSS-NBVRZTHBSA-N -1 0 435.867 4.196 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(Cl)cc1OC ZINC000409231382 557022879 /nfs/dbraw/zinc/02/28/79/557022879.db2.gz CRJKBEOSXGGDMF-OQLLNIDSSA-N -1 0 444.940 4.195 40 10 IICBRM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c1OC(C)C ZINC000409241156 557031682 /nfs/dbraw/zinc/03/16/82/557031682.db2.gz JCVKXMFLHBARKI-CPNJWEJPSA-N -1 0 438.549 4.437 40 10 IICBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)o1 ZINC000409243165 557033170 /nfs/dbraw/zinc/03/31/70/557033170.db2.gz ZJTSCXCXIWZRCK-LDADJPATSA-N -1 0 447.472 4.303 40 10 IICBRM O=C([O-])CN1C(=O)/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=S ZINC000409243595 557033527 /nfs/dbraw/zinc/03/35/27/557033527.db2.gz TWUDJGOPKSRETK-ZDLGFXPLSA-N -1 0 426.494 4.115 40 10 IICBRM COc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OCC(=O)[O-] ZINC000409331588 557065248 /nfs/dbraw/zinc/06/52/48/557065248.db2.gz OOJKWNDWZPPGOZ-LICLKQGHSA-N -1 0 429.519 4.181 40 10 IICBRM COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c2ccccc12 ZINC000409343409 557070966 /nfs/dbraw/zinc/07/09/66/557070966.db2.gz GPUUUBSUORTVLD-GZTJUZNOSA-N -1 0 426.544 4.456 40 10 IICBRM CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000103919276 557140256 /nfs/dbraw/zinc/14/02/56/557140256.db2.gz UXURQRSMQVZPEU-JCMHNJIXSA-N -1 0 437.496 4.379 40 10 IICBRM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000216423049 557146083 /nfs/dbraw/zinc/14/60/83/557146083.db2.gz LXEHGMPDZQDHIB-UHFFFAOYSA-N -1 0 430.869 4.421 40 10 IICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2F)C1=O ZINC000014133097 557421799 /nfs/dbraw/zinc/42/17/99/557421799.db2.gz SAFJSHPCWBPLIF-XMHGGMMESA-N -1 0 430.435 4.380 40 10 IICBRM Cc1c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1C ZINC000059303087 557822215 /nfs/dbraw/zinc/82/22/15/557822215.db2.gz ZSNDMPIIWWJJAT-GDNBJRDFSA-N -1 0 428.275 4.460 40 10 IICBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000059417342 557822874 /nfs/dbraw/zinc/82/28/74/557822874.db2.gz BJAIJBACYWKQFL-MHWRWJLKSA-N -1 0 443.297 4.049 40 10 IICBRM Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000001183192 568736206 /nfs/dbraw/zinc/73/62/06/568736206.db2.gz LKTJNBQCLIXHPG-QGOAFFKASA-N -1 0 440.546 4.313 40 10 IICBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)(C)C ZINC000033780009 569259889 /nfs/dbraw/zinc/25/98/89/569259889.db2.gz SBBLRYYBJPQMQS-LFIBNONCSA-N -1 0 445.313 4.096 40 10 IICBRM O=C1C=CC(=NNc2cccc(C(F)(F)F)c2)C=C1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000108929855 569260921 /nfs/dbraw/zinc/26/09/21/569260921.db2.gz DLQDIIPAPXIZQA-OMOHLZNYSA-N -1 0 447.329 4.282 40 10 IICBRM C=CCOc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000108981449 569260979 /nfs/dbraw/zinc/26/09/79/569260979.db2.gz CGYAGTDRDNWQAU-ZROIWOOFSA-N -1 0 433.689 4.129 40 10 IICBRM COc1cc(C=C2SC(Nc3cccc(C)c3C)=NC2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000210934585 569261436 /nfs/dbraw/zinc/26/14/36/569261436.db2.gz JCOAAAXGCNJHMG-KVMVOAJRSA-N -1 0 426.494 4.246 40 10 IICBRM Cc1ccc(N2C(=O)CC(N3C(=O)C(=CC=Cc4ccccc4)SC3=S)=C2[O-])cc1 ZINC000012649590 524922421 /nfs/dbraw/zinc/92/24/21/524922421.db2.gz DNRROVRYDPUHRR-SONHARSSSA-N -1 0 434.542 4.085 40 10 IICBRM Cc1ccc(OCCCOc2cccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)c2)cc1 ZINC000002180345 555753369 /nfs/dbraw/zinc/75/33/69/555753369.db2.gz FUIUMQBZUZFYHV-HKOYGPOVSA-N -1 0 428.488 4.304 40 10 IICBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000408552420 555879134 /nfs/dbraw/zinc/87/91/34/555879134.db2.gz TZPDKTVMQIGWKK-WQLSENKSSA-N -1 0 443.809 4.242 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408600278 555958671 /nfs/dbraw/zinc/95/86/71/555958671.db2.gz BAFQFXOZKSZVQP-GDNBJRDFSA-N -1 0 426.787 4.111 40 10 IICBRM CCc1nc(SC(=Cc2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)[O-])n[nH]1 ZINC000408631194 556002564 /nfs/dbraw/zinc/00/25/64/556002564.db2.gz FWSMBHAINWEALA-WOJGMQOQSA-N -1 0 440.525 4.087 40 10 IICBRM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc2c3c1cccc3C(=O)N(C)C2=O ZINC000008856242 556227394 /nfs/dbraw/zinc/22/73/94/556227394.db2.gz SSYQWVJEIXHGBH-UNOMPAQXSA-N -1 0 444.878 4.438 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(N2CCCC2)c(F)c1 ZINC000015013508 556484492 /nfs/dbraw/zinc/48/44/92/556484492.db2.gz GUFTZESLDUFUEB-ZROIWOOFSA-N -1 0 448.281 4.399 40 10 IICBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408789092 556856044 /nfs/dbraw/zinc/85/60/44/556856044.db2.gz JEDTXTOZTUESJU-PXLXIMEGSA-N -1 0 445.544 4.324 40 10 IICBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000408800465 556858262 /nfs/dbraw/zinc/85/82/62/556858262.db2.gz MODCXEYXSYDDFH-LFIBNONCSA-N -1 0 443.297 4.213 40 10 IICBRM CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408814749 556865270 /nfs/dbraw/zinc/86/52/70/556865270.db2.gz SCQLYDNUHNCZCU-XSFVSMFZSA-N -1 0 445.431 4.203 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000408819610 556865748 /nfs/dbraw/zinc/86/57/48/556865748.db2.gz YABZFYIHNJNNDE-XYOKQWHBSA-N -1 0 449.688 4.086 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 ZINC000408851863 556869708 /nfs/dbraw/zinc/86/97/08/556869708.db2.gz AWHYCUISUFJWDV-LDADJPATSA-N -1 0 426.259 4.451 40 10 IICBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1N1CCCC1 ZINC000408858796 556871388 /nfs/dbraw/zinc/87/13/88/556871388.db2.gz SNPWKBYNXIDEOA-AQTBWJFISA-N -1 0 425.941 4.080 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000408854239 556871751 /nfs/dbraw/zinc/87/17/51/556871751.db2.gz AQRIXVWVZDUFJJ-LFIBNONCSA-N -1 0 426.259 4.451 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccccc4)c3)C2=O)cc1 ZINC000408934222 556895358 /nfs/dbraw/zinc/89/53/58/556895358.db2.gz CZYORGQRCZYPPZ-KQWNVCNZSA-N -1 0 442.471 4.331 40 10 IICBRM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408996333 556912465 /nfs/dbraw/zinc/91/24/65/556912465.db2.gz DCHZNTCXZLLCLK-UHFFFAOYSA-N -1 0 449.894 4.076 40 10 IICBRM COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409056143 556933869 /nfs/dbraw/zinc/93/38/69/556933869.db2.gz KWRABFRPJCBUFZ-UXBLZVDNSA-N -1 0 425.655 4.322 40 10 IICBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)[N-]C2=S)c1C ZINC000409130900 556967818 /nfs/dbraw/zinc/96/78/18/556967818.db2.gz OEKMUVUNGBGLQF-CPNJWEJPSA-N -1 0 437.540 4.264 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409145271 556976746 /nfs/dbraw/zinc/97/67/46/556976746.db2.gz NSCGZTZPDXKVMT-OEAKJJBVSA-N -1 0 427.504 4.373 40 10 IICBRM COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(Cl)c(F)c1 ZINC000112295627 557239604 /nfs/dbraw/zinc/23/96/04/557239604.db2.gz PCXALFMBXQNRIZ-ODLFYWEKSA-N -1 0 446.822 4.039 40 10 IICBRM COc1cc(N=C(C)c2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c(OC)cc1Cl ZINC000112293573 557239763 /nfs/dbraw/zinc/23/97/63/557239763.db2.gz IDOVZWUOENJPTB-ODLFYWEKSA-N -1 0 430.848 4.374 40 10 IICBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000026509927 557528501 /nfs/dbraw/zinc/52/85/01/557528501.db2.gz UWGHIIVMJODBSH-YVGNARHYSA-N -1 0 434.336 4.476 40 10 IICBRM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000256055797 568663620 /nfs/dbraw/zinc/66/36/20/568663620.db2.gz ULRBMRHFKZBBPT-PDGQHHTCSA-N -1 0 438.530 4.319 40 10 IICBRM COc1ccc2nc(/C=C3\SC(=S)N(c4ccc(O)c(C(=O)[O-])c4)C3=O)ccc2c1 ZINC000054360797 568940571 /nfs/dbraw/zinc/94/05/71/568940571.db2.gz WNPDXSOOKJCXBN-NVMNQCDNSA-N -1 0 438.486 4.053 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000033657852 569259640 /nfs/dbraw/zinc/25/96/40/569259640.db2.gz GGKYFFFGKCKRII-BKUYFWCQSA-N -1 0 444.487 4.053 40 10 IICBRM CC[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000034868884 569260088 /nfs/dbraw/zinc/26/00/88/569260088.db2.gz DTSSUFUTMSIJND-ATTDUZETSA-N -1 0 445.313 4.096 40 10 IICBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000009264494 132311728 /nfs/dbraw/zinc/31/17/28/132311728.db2.gz IYYOCZGUVYANLI-CPNJWEJPSA-N -1 0 425.941 4.162 40 10 IICBRM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000020495436 522049534 /nfs/dbraw/zinc/04/95/34/522049534.db2.gz XRGQWSYMJGYXBP-UHFFFAOYSA-N -1 0 443.908 4.300 40 10 IICBRM CCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408534332 555750831 /nfs/dbraw/zinc/75/08/31/555750831.db2.gz VEPLDHKTBXONGN-LGMDPLHJSA-N -1 0 443.297 4.294 40 10 IICBRM CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408538293 555777643 /nfs/dbraw/zinc/77/76/43/555777643.db2.gz KKXVPHIBCHYBIN-HKWRFOASSA-N -1 0 437.452 4.220 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408692835 556092339 /nfs/dbraw/zinc/09/23/39/556092339.db2.gz WLRYRAWFEIMBGS-LICLKQGHSA-N -1 0 429.879 4.291 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)[N-]C2=S)cc1 ZINC000408743095 556216147 /nfs/dbraw/zinc/21/61/47/556216147.db2.gz UODVZCVTXDGJKM-XDHOZWIPSA-N -1 0 447.472 4.303 40 10 IICBRM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1O ZINC000008828403 556224889 /nfs/dbraw/zinc/22/48/89/556224889.db2.gz NEENYEVYVLFCPE-AUWJEWJLSA-N -1 0 436.308 4.259 40 10 IICBRM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2 ZINC000008955499 556236483 /nfs/dbraw/zinc/23/64/83/556236483.db2.gz FQCQJMWJRHSLFF-IKGGRYGDSA-N -1 0 439.533 4.413 40 10 IICBRM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000032709479 556502712 /nfs/dbraw/zinc/50/27/12/556502712.db2.gz LAVLUVFDSPKJCP-WRHWEHACSA-N -1 0 440.502 4.048 40 10 IICBRM 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/nfs/dbraw/zinc/91/22/49/556912249.db2.gz NWQXKKAUPACSDP-UHFFFAOYSA-N -1 0 443.547 4.311 40 10 IICBRM COc1cccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(F)c4)C3=O)c2C)c1 ZINC000409018906 556923736 /nfs/dbraw/zinc/92/37/36/556923736.db2.gz YFQYOVJNCYRPDB-NHDPSOOVSA-N -1 0 449.507 4.073 40 10 IICBRM CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000409046450 556930846 /nfs/dbraw/zinc/93/08/46/556930846.db2.gz KSBFNQUSLWVKSZ-OQLLNIDSSA-N -1 0 435.263 4.154 40 10 IICBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)[N-]C1=S ZINC000409102245 556956309 /nfs/dbraw/zinc/95/63/09/556956309.db2.gz YAJQUKGLNKEACX-LFIBNONCSA-N -1 0 443.931 4.219 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OC ZINC000409107670 556959357 /nfs/dbraw/zinc/95/93/57/556959357.db2.gz SJRXNOCFJPGRSE-FMIVXFBMSA-N -1 0 435.263 4.067 40 10 IICBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000409202593 557001754 /nfs/dbraw/zinc/00/17/54/557001754.db2.gz 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CCOc1cc(C=C2SC(Nc3cccc(Cl)c3)=NC2=O)ccc1OCC(=O)[O-] ZINC000016916248 557475868 /nfs/dbraw/zinc/47/58/68/557475868.db2.gz AKFSUYAIYWQTMR-RQZCQDPDSA-N -1 0 432.885 4.285 40 10 IICBRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC000225752433 557773286 /nfs/dbraw/zinc/77/32/86/557773286.db2.gz APOZCDNWVAMXPB-UHFFFAOYSA-N -1 0 446.322 4.490 40 10 IICBRM O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)c([O-])c(Br)c1 ZINC000058865821 557812365 /nfs/dbraw/zinc/81/23/65/557812365.db2.gz PFCATVXPGZTENI-UHFFFAOYSA-N -1 0 446.091 4.061 40 10 IICBRM COc1ccc2cc(/C=C3\SC(=S)N([C@H](C(=O)[O-])C(C)C)C3=O)c(Cl)nc2c1 ZINC000256055679 568663466 /nfs/dbraw/zinc/66/34/66/568663466.db2.gz PKTBUNATOUCKBJ-GSHXUFRSSA-N -1 0 436.942 4.207 40 10 IICBRM CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000210456723 569261442 /nfs/dbraw/zinc/26/14/42/569261442.db2.gz KKMWPSVPRNFSQW-WQRHYEAKSA-N -1 0 429.519 4.263 40 10 IICBRM Cc1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000041076799 569526565 /nfs/dbraw/zinc/52/65/65/569526565.db2.gz RNWXCIQTMCGKKR-LPYMAVHISA-N -1 0 439.471 4.253 40 10 IICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCCC3)o2)C1=O ZINC000009324059 132313859 /nfs/dbraw/zinc/31/38/59/132313859.db2.gz KXAUIEKYLFYWTE-SSZFMOIBSA-N -1 0 427.888 4.288 40 10 IICBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccc2ccccc21 ZINC000408550284 555862846 /nfs/dbraw/zinc/86/28/46/555862846.db2.gz FMLJHAXXSBTPEN-PTNGSMBKSA-N -1 0 425.872 4.376 40 10 IICBRM CC(C)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408601908 555970489 /nfs/dbraw/zinc/97/04/89/555970489.db2.gz MCECTJCRTJKWML-MHWRWJLKSA-N -1 0 443.297 4.150 40 10 IICBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c3ccccc32)c1 ZINC000408692329 556095133 /nfs/dbraw/zinc/09/51/33/556095133.db2.gz JXQHPOCNAAHLSM-HYARGMPZSA-N -1 0 427.504 4.402 40 10 IICBRM COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000009188666 556251706 /nfs/dbraw/zinc/25/17/06/556251706.db2.gz INJLIPSNLTZWDJ-FHNWIRHTSA-N -1 0 429.519 4.121 40 10 IICBRM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000032709478 556502685 /nfs/dbraw/zinc/50/26/85/556502685.db2.gz LAVLUVFDSPKJCP-ZFZQPEKSSA-N -1 0 440.502 4.048 40 10 IICBRM CCOc1cccc(N2C(=O)C(=Cc3ccc(N(CC)CC)cc3O)C(=O)[N-]C2=S)c1 ZINC000083304204 556663225 /nfs/dbraw/zinc/66/32/25/556663225.db2.gz YOOYRXVCYKFAGL-XDHOZWIPSA-N -1 0 439.537 4.309 40 10 IICBRM CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000408759725 556687017 /nfs/dbraw/zinc/68/70/17/556687017.db2.gz KJPKQGZBECQLGM-HZHRSRAPSA-N -1 0 443.503 4.332 40 10 IICBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408779480 556854036 /nfs/dbraw/zinc/85/40/36/556854036.db2.gz XGSPAOGRNNHCRS-PXLXIMEGSA-N -1 0 429.545 4.488 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408782967 556855088 /nfs/dbraw/zinc/85/50/88/556855088.db2.gz ZQCQCXMGJXMRIE-NTEUORMPSA-N -1 0 438.789 4.424 40 10 IICBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000408781860 556855945 /nfs/dbraw/zinc/85/59/45/556855945.db2.gz FMTLBAZTXFELAL-HZHRSRAPSA-N -1 0 443.503 4.468 40 10 IICBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408786468 556856458 /nfs/dbraw/zinc/85/64/58/556856458.db2.gz QJBGUDQYAWNJDY-SFQUDFHCSA-N -1 0 428.872 4.194 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC(C)C ZINC000408799100 556857805 /nfs/dbraw/zinc/85/78/05/556857805.db2.gz JTBQEJOMPDOUQU-CXUHLZMHSA-N -1 0 442.899 4.419 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC ZINC000408806568 556859027 /nfs/dbraw/zinc/85/90/27/556859027.db2.gz FJRVRULBOKDAPB-OQLLNIDSSA-N -1 0 428.872 4.031 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408805262 556860867 /nfs/dbraw/zinc/86/08/67/556860867.db2.gz FOGMIIPHOXKGSJ-PXLXIMEGSA-N -1 0 442.471 4.249 40 10 IICBRM 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/nfs/dbraw/zinc/01/18/52/557011852.db2.gz MFVWIFCFMMXSGZ-YXHQGMJNSA-N -1 0 429.450 4.023 40 10 IICBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)[N-]C2=S)c1 ZINC000409227621 557014711 /nfs/dbraw/zinc/01/47/11/557014711.db2.gz QXFIYXKGNFPQCU-CPNJWEJPSA-N -1 0 437.540 4.264 40 10 IICBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409221096 557016502 /nfs/dbraw/zinc/01/65/02/557016502.db2.gz KUIHTOZMZIAMJH-OQLLNIDSSA-N -1 0 444.940 4.195 40 10 IICBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1 ZINC000409241878 557031965 /nfs/dbraw/zinc/03/19/65/557031965.db2.gz ZDSHUALJYNNEQS-NTCAYCPXSA-N -1 0 443.931 4.301 40 10 IICBRM COc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000409243845 557033470 /nfs/dbraw/zinc/03/34/70/557033470.db2.gz VEAXPYLFSCRXQR-KGENOOAVSA-N -1 0 445.544 4.242 40 10 IICBRM COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409334347 557066837 /nfs/dbraw/zinc/06/68/37/557066837.db2.gz 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CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cn4)c3C)C(=O)[N-]C2=S)cc1 ZINC000108088057 569252341 /nfs/dbraw/zinc/25/23/41/569252341.db2.gz IFUIABRETNYFPG-FYJGNVAPSA-N -1 0 444.560 4.191 40 10 IICBRM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1Cl ZINC000033704016 569259552 /nfs/dbraw/zinc/25/95/52/569259552.db2.gz VSGYYQSNNHGHGR-XMHGGMMESA-N -1 0 434.879 4.389 40 10 IICBRM Cc1cc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4cccc5ccccc54)C3=O)sc2cc1C ZINC000408529039 569584020 /nfs/dbraw/zinc/58/40/20/569584020.db2.gz GUKBDRZSRNSJNB-SFQUDFHCSA-N -1 0 442.500 4.645 40 10 IICBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc(Br)cs1 ZINC000009260114 132311489 /nfs/dbraw/zinc/31/14/89/132311489.db2.gz QGKBRZMEMYDXKK-UITAMQMPSA-N -1 0 446.109 4.484 40 10 IICBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000017373699 519349157 /nfs/dbraw/zinc/34/91/57/519349157.db2.gz BYMVPSWDCRIMSD-QKIOLIMFSA-N -1 0 425.491 4.087 40 10 IICBRM CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000035898119 519751814 /nfs/dbraw/zinc/75/18/14/519751814.db2.gz GBXXKKIGBLJUTA-NONVJHHQSA-N -1 0 431.554 4.434 40 10 IICBRM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S ZINC000021193561 527578906 /nfs/dbraw/zinc/57/89/06/527578906.db2.gz VQPKIFNQQYRUJU-UKTHLTGXSA-N -1 0 430.345 4.001 40 10 IICBRM O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000001774895 555713965 /nfs/dbraw/zinc/71/39/65/555713965.db2.gz GULPBGYTWVTIST-LFIBNONCSA-N -1 0 446.937 4.268 40 10 IICBRM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1C ZINC000408526851 555715926 /nfs/dbraw/zinc/71/59/26/555715926.db2.gz CNYVWORSKNENET-MHWRWJLKSA-N -1 0 442.313 4.262 40 10 IICBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(F)c(Cl)c1 ZINC000408550958 555852923 /nfs/dbraw/zinc/85/29/23/555852923.db2.gz KXRRGBOSDXBAPZ-YFHOEESVSA-N -1 0 428.247 4.015 40 10 IICBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nnc(C)o3)C(=O)[O-])c2C)cc1 ZINC000408632082 556002541 /nfs/dbraw/zinc/00/25/41/556002541.db2.gz NHBYSVBTPUBCKR-WQRHYEAKSA-N -1 0 427.482 4.180 40 10 IICBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000408744031 556224502 /nfs/dbraw/zinc/22/45/02/556224502.db2.gz YGCSJYRAFFLDTJ-WUXMJOGZSA-N -1 0 440.080 4.422 40 10 IICBRM CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(=O)C2=C([O-])C(CO)NC2=O)[C@@H]1/C=C/C=C/C[C@@H](C)O ZINC000514288281 556624724 /nfs/dbraw/zinc/62/47/24/556624724.db2.gz AJDLKWSYDPWRCH-NFLTVSCUSA-N -1 0 443.584 4.208 40 10 biogenic,in-vitro IICBRM Cc1cccc(N2C(=O)CC(N3C(=O)C(=CC=Cc4ccccc4)SC3=S)=C2[O-])c1 ZINC000016713037 556630462 /nfs/dbraw/zinc/63/04/62/556630462.db2.gz QKENTNWPHIRJDI-LRCBOZDGSA-N -1 0 434.542 4.085 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC ZINC000408807122 556859055 /nfs/dbraw/zinc/85/90/55/556859055.db2.gz OGAXCHCRYMWHGX-VGOFMYFVSA-N -1 0 435.263 4.067 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408803001 556859777 /nfs/dbraw/zinc/85/97/77/556859777.db2.gz KGPPFEPKRWPRSA-MHWRWJLKSA-N -1 0 428.872 4.112 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OCc2ccccc2)c1 ZINC000408810121 556862068 /nfs/dbraw/zinc/86/20/68/556862068.db2.gz OYCLAIZFCATZCY-KGENOOAVSA-N -1 0 442.471 4.249 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408811436 556862732 /nfs/dbraw/zinc/86/27/32/556862732.db2.gz VMMDCQXSLUVHOC-KGENOOAVSA-N -1 0 442.471 4.249 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1C ZINC000408847055 556869252 /nfs/dbraw/zinc/86/92/52/556869252.db2.gz MDFUWCPFOBBXPA-XDHOZWIPSA-N -1 0 445.431 4.446 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1Cc1cccc(F)c1 ZINC000408866064 556873598 /nfs/dbraw/zinc/87/35/98/556873598.db2.gz DGWBLVMIYQOMAW-PXLXIMEGSA-N -1 0 444.462 4.482 40 10 IICBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(OCc2ccccc2)c1 ZINC000408869369 556874539 /nfs/dbraw/zinc/87/45/39/556874539.db2.gz CKKXIDKHYCUIAS-UYRXBGFRSA-N -1 0 446.434 4.080 40 10 IICBRM Cc1cccc(COc2ccccc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000408871495 556875036 /nfs/dbraw/zinc/87/50/36/556875036.db2.gz GWXILCXAQRHMTR-QNGOZBTKSA-N -1 0 428.513 4.405 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2F)c1 ZINC000408888218 556878719 /nfs/dbraw/zinc/87/87/19/556878719.db2.gz TZPXZRUVNLHYHA-DEDYPNTBSA-N -1 0 446.434 4.080 40 10 IICBRM CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cccc1OC ZINC000408897909 556883369 /nfs/dbraw/zinc/88/33/69/556883369.db2.gz JOESTPAUZSUQBC-VLURKWGBSA-N -1 0 428.872 4.192 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(C)C ZINC000408991324 556911627 /nfs/dbraw/zinc/91/16/27/556911627.db2.gz QDTXRZAATMAKQH-XDHOZWIPSA-N -1 0 438.549 4.260 40 10 IICBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)[N-]C2=S)cc1 ZINC000409020370 556924285 /nfs/dbraw/zinc/92/42/85/556924285.db2.gz OOSAIHICSNFBPY-CPNJWEJPSA-N -1 0 449.507 4.073 40 10 IICBRM CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000409045764 556930524 /nfs/dbraw/zinc/93/05/24/556930524.db2.gz HMEUJTFTCRFIBP-OQLLNIDSSA-N -1 0 435.263 4.067 40 10 IICBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000409101510 556955801 /nfs/dbraw/zinc/95/58/01/556955801.db2.gz UKKGZBSQBBYASZ-FOOJRNJNSA-N -1 0 432.219 4.124 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000409102805 556956622 /nfs/dbraw/zinc/95/66/22/556956622.db2.gz UFMORDJTWKWIKB-FMIVXFBMSA-N -1 0 435.263 4.067 40 10 IICBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409122590 556962020 /nfs/dbraw/zinc/96/20/20/556962020.db2.gz ABIMAXRDEHJXHA-BRFSQIRFSA-N -1 0 438.549 4.321 40 10 IICBRM COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)SC2=S)cc1 ZINC000409139555 556971295 /nfs/dbraw/zinc/97/12/95/556971295.db2.gz BINUAXBGUVCJJG-GRSHGNNSSA-N -1 0 438.530 4.136 40 10 IICBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409141580 556972553 /nfs/dbraw/zinc/97/25/53/556972553.db2.gz VQRDYGQHSSIYRW-OQLLNIDSSA-N -1 0 444.940 4.195 40 10 IICBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)C(=O)[N-]C1=S ZINC000409172744 556984204 /nfs/dbraw/zinc/98/42/04/556984204.db2.gz HVPJBGNJMXGMPP-XMHGGMMESA-N -1 0 437.565 4.450 40 10 IICBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)cc1OC ZINC000409212843 557007359 /nfs/dbraw/zinc/00/73/59/557007359.db2.gz RAVQFSFMNSXRSN-XSFVSMFZSA-N -1 0 430.460 4.304 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409228221 557014921 /nfs/dbraw/zinc/01/49/21/557014921.db2.gz WBPTWLBKZQWTCH-OEAKJJBVSA-N -1 0 436.471 4.309 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409234206 557025563 /nfs/dbraw/zinc/02/55/63/557025563.db2.gz NKKQMNZQHAHUNV-CIAFOILYSA-N -1 0 428.492 4.081 40 10 IICBRM COc1ccc2ccccc2c1/C=C1/SC(=S)N([N-]C(=O)c2cccs2)C1=O ZINC000409332955 557066152 /nfs/dbraw/zinc/06/61/52/557066152.db2.gz TVZOMISVHBXVKW-GZTJUZNOSA-N -1 0 426.544 4.456 40 10 IICBRM CCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1OC ZINC000409337981 557073128 /nfs/dbraw/zinc/07/31/28/557073128.db2.gz ARFMQBAXSXBLMY-WJDWOHSUSA-N -1 0 434.564 4.092 40 10 IICBRM CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1OC ZINC000409347444 557075531 /nfs/dbraw/zinc/07/55/31/557075531.db2.gz QAPARZDCYWOQBH-UEMWTREESA-N -1 0 448.591 4.480 40 10 IICBRM COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)[N-]C2=S)cc1 ZINC000208193389 557079023 /nfs/dbraw/zinc/07/90/23/557079023.db2.gz SKTLBBPCAOFKCJ-NPRIEWAGSA-N -1 0 449.576 4.249 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409392429 557096863 /nfs/dbraw/zinc/09/68/63/557096863.db2.gz MNLQLKXXYFXRPJ-HYARGMPZSA-N -1 0 428.492 4.279 40 10 IICBRM Cc1nnc([N-]S(=O)(=O)c2ccc(NN=C3C=CC(=O)c4ncccc43)cc2)s1 ZINC000104090595 557320092 /nfs/dbraw/zinc/32/00/92/557320092.db2.gz SFILKVPTXQDZEH-DQRAZIAOSA-N -1 0 426.483 4.317 40 10 IICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000014132746 557421572 /nfs/dbraw/zinc/42/15/72/557421572.db2.gz PBWAKCNABAAHLM-KGENOOAVSA-N -1 0 430.435 4.380 40 10 IICBRM O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)ccc1O ZINC000034139141 557810940 /nfs/dbraw/zinc/81/09/40/557810940.db2.gz HPBQRBYTAQDKKI-SFQUDFHCSA-N -1 0 428.400 4.470 40 10 IICBRM COc1ccc2nc(/C=C3\SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)ccc2c1 ZINC000054360849 568940539 /nfs/dbraw/zinc/94/05/39/568940539.db2.gz NCLSXSRWTVUNMO-OVCORXIESA-N -1 0 436.514 4.271 40 10 IICBRM O=C1/C(=C\c2ccccc2Cl)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)[O-])cc1 ZINC000008856620 569291309 /nfs/dbraw/zinc/29/13/09/569291309.db2.gz FSSZIRUQBYBDCK-XSFVSMFZSA-N -1 0 438.892 4.421 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 ZINC000002377016 132253318 /nfs/dbraw/zinc/25/33/18/132253318.db2.gz CELZECPHYQQABU-HYARGMPZSA-N -1 0 447.466 4.298 40 10 IICBRM Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000408534367 555751125 /nfs/dbraw/zinc/75/11/25/555751125.db2.gz LQSGYYBJIVWLMP-HKWRFOASSA-N -1 0 440.455 4.189 40 10 IICBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2Cl)C(=O)[N-]C1=S ZINC000408742312 556215679 /nfs/dbraw/zinc/21/56/79/556215679.db2.gz QNZZUSNKVZIDMT-UKTHLTGXSA-N -1 0 435.730 4.242 40 10 IICBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000009188794 556252027 /nfs/dbraw/zinc/25/20/27/556252027.db2.gz TYIWOAUGRFIKCA-WQRHYEAKSA-N -1 0 429.519 4.127 40 10 IICBRM Cc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)c1O ZINC000032099498 556528756 /nfs/dbraw/zinc/52/87/56/556528756.db2.gz SLQBECIOEYGIRA-CPSFFCFKSA-N -1 0 442.096 4.231 40 10 IICBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000408757701 556568983 /nfs/dbraw/zinc/56/89/83/556568983.db2.gz OWVPEIPRYQCSGH-LPYMAVHISA-N -1 0 442.519 4.389 40 10 IICBRM COc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)SC2=S)cc1 ZINC000016216660 556591895 /nfs/dbraw/zinc/59/18/95/556591895.db2.gz MLIOTTCODCWAGJ-MFOYZWKCSA-N -1 0 449.937 4.213 40 10 IICBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)o2)c(C)c1 ZINC000408782895 556855044 /nfs/dbraw/zinc/85/50/44/556855044.db2.gz LAOQLLAMBQFIAP-DEDYPNTBSA-N -1 0 444.443 4.016 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408797309 556857515 /nfs/dbraw/zinc/85/75/15/556857515.db2.gz CIEZNWMRIKLUBB-FYJGNVAPSA-N -1 0 448.862 4.291 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408800983 556858403 /nfs/dbraw/zinc/85/84/03/556858403.db2.gz QUWCNYIBIYLGRN-RVDMUPIBSA-N -1 0 428.872 4.112 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000408804267 556860314 /nfs/dbraw/zinc/86/03/14/556860314.db2.gz WQQNYFKHXBOTLM-RIYZIHGNSA-N -1 0 449.688 4.168 40 10 IICBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408809410 556861758 /nfs/dbraw/zinc/86/17/58/556861758.db2.gz LDKNQSBCNGIFHU-UKTHLTGXSA-N -1 0 449.688 4.086 40 10 IICBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1Cl ZINC000408809373 556861927 /nfs/dbraw/zinc/86/19/27/556861927.db2.gz HLKIPFCEZKZUMV-SFQUDFHCSA-N -1 0 428.872 4.194 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1ccccc1F ZINC000408873057 556875563 /nfs/dbraw/zinc/87/55/63/556875563.db2.gz RDEIHUYHTMXDID-FYJGNVAPSA-N -1 0 444.462 4.400 40 10 IICBRM CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408880226 556876372 /nfs/dbraw/zinc/87/63/72/556876372.db2.gz FIRQWNCLOQLFNP-GDNBJRDFSA-N -1 0 445.338 4.068 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1Cc1cccc(F)c1 ZINC000408878803 556877367 /nfs/dbraw/zinc/87/73/67/556877367.db2.gz BVPSMGJBXWHYMK-KGENOOAVSA-N -1 0 444.462 4.400 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3F)C2=O)cc1 ZINC000408894063 556879877 /nfs/dbraw/zinc/87/98/77/556879877.db2.gz IPBJWYWUDNCUGX-XSFVSMFZSA-N -1 0 446.434 4.080 40 10 IICBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408931488 556892642 /nfs/dbraw/zinc/89/26/42/556892642.db2.gz MGQOMNFARFGLNT-QGOAFFKASA-N -1 0 441.434 4.327 40 10 IICBRM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408984028 556907940 /nfs/dbraw/zinc/90/79/40/556907940.db2.gz PJKZUEPBWYEPAN-YBEGLDIGSA-N -1 0 428.872 4.112 40 10 IICBRM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OC(C)C ZINC000409009550 556917377 /nfs/dbraw/zinc/91/73/77/556917377.db2.gz AWSYTSRRVJYBNN-NTEUORMPSA-N -1 0 449.290 4.456 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OC)C2=O)cc1 ZINC000409046506 556929507 /nfs/dbraw/zinc/92/95/07/556929507.db2.gz LAEIGRTZORYQBR-OQLLNIDSSA-N -1 0 435.263 4.067 40 10 IICBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)[N-]C2=S)c1C ZINC000409137930 556970467 /nfs/dbraw/zinc/97/04/67/556970467.db2.gz ZUHBHRHXMIMXJK-ATVHPVEESA-N -1 0 447.472 4.303 40 10 IICBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000409187282 556988117 /nfs/dbraw/zinc/98/81/17/556988117.db2.gz OJLDZBWTDOWLTP-PXLXIMEGSA-N -1 0 445.544 4.324 40 10 IICBRM CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)[N-]C2=S)cc1 ZINC000409237974 557019418 /nfs/dbraw/zinc/01/94/18/557019418.db2.gz JQBGPCKFPXGMMP-NTEUORMPSA-N -1 0 435.368 4.465 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O ZINC000409239208 557020459 /nfs/dbraw/zinc/02/04/59/557020459.db2.gz CKPLREIDGJMSSE-XMHGGMMESA-N -1 0 444.443 4.214 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cccc(F)c3)c2C)C1=O ZINC000409235288 557026296 /nfs/dbraw/zinc/02/62/96/557026296.db2.gz ZKLGUJYEONQHGK-DEDYPNTBSA-N -1 0 447.466 4.298 40 10 IICBRM CCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccccc2OCC)C1=O ZINC000409247157 557028525 /nfs/dbraw/zinc/02/85/25/557028525.db2.gz 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O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223266139 557452864 /nfs/dbraw/zinc/45/28/64/557452864.db2.gz MDTWVJQQEBXIBQ-UHFFFAOYSA-N -1 0 446.528 4.018 40 10 IICBRM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3nc(-c4ccccc4)cs3)c(Cl)cc21 ZINC000223367415 557463585 /nfs/dbraw/zinc/46/35/85/557463585.db2.gz KFAOPRLOUINDFY-UHFFFAOYSA-N -1 0 435.914 4.192 40 10 IICBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000033417702 557808090 /nfs/dbraw/zinc/80/80/90/557808090.db2.gz FXNAPFCKFHRYII-XDHOZWIPSA-N -1 0 436.851 4.174 40 10 IICBRM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1cccc(C)c1 ZINC000059167697 557817352 /nfs/dbraw/zinc/81/73/52/557817352.db2.gz GUYZQJOJNIRUJG-YBFXNURJSA-N -1 0 443.546 4.259 40 10 IICBRM O=C([O-])c1cccc(Cl)c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1O ZINC000257284616 568704266 /nfs/dbraw/zinc/70/42/66/568704266.db2.gz PDMKEEDXWBFIDE-UHFFFAOYSA-N -1 0 425.868 4.352 40 10 IICBRM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S 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O=C([O-])c1ccccc1NC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000016672973 556621987 /nfs/dbraw/zinc/62/19/87/556621987.db2.gz WJQXZAFRSDOXCD-YKYHQJSKSA-N -1 0 438.530 4.171 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C2=O)cc1 ZINC000408782820 556855026 /nfs/dbraw/zinc/85/50/26/556855026.db2.gz JXSXZUXNFPEEJT-KGENOOAVSA-N -1 0 430.435 4.380 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3F)C2=O)cc1 ZINC000408786619 556856449 /nfs/dbraw/zinc/85/64/49/556856449.db2.gz SWJAKKVXTIPIGG-XSFVSMFZSA-N -1 0 430.435 4.380 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC(C)C ZINC000408811722 556862783 /nfs/dbraw/zinc/86/27/83/556862783.db2.gz KPTFYDPIDPVHOQ-MDWZMJQESA-N -1 0 449.290 4.456 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OC(C)C ZINC000408816938 556863968 /nfs/dbraw/zinc/86/39/68/556863968.db2.gz SQAWGAACWBNWBW-CXUHLZMHSA-N -1 0 428.872 4.111 40 10 IICBRM CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408813823 556864963 /nfs/dbraw/zinc/86/49/63/556864963.db2.gz VFLLMRBKXOFZCL-LICLKQGHSA-N -1 0 428.872 4.112 40 10 IICBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408857958 556871193 /nfs/dbraw/zinc/87/11/93/556871193.db2.gz QQSCXKYEBGLGKB-CXUHLZMHSA-N -1 0 428.872 4.031 40 10 IICBRM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)o2)cc1 ZINC000408858259 556871205 /nfs/dbraw/zinc/87/12/05/556871205.db2.gz RBRSJILNDCJHKM-FYJGNVAPSA-N -1 0 428.444 4.432 40 10 IICBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCC ZINC000408874861 556876030 /nfs/dbraw/zinc/87/60/30/556876030.db2.gz BONFEDXGFGOVJH-WJDWOHSUSA-N -1 0 442.899 4.366 40 10 IICBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1cccc(F)c1 ZINC000408886307 556879299 /nfs/dbraw/zinc/87/92/99/556879299.db2.gz JVVIHIBLZRGXMM-AQTBWJFISA-N -1 0 434.398 4.210 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OCc1ccccc1 ZINC000408901999 556883026 /nfs/dbraw/zinc/88/30/26/556883026.db2.gz DKIAVRGXHNWZGW-DEDYPNTBSA-N -1 0 446.434 4.080 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Cl)cc1OC ZINC000408898952 556883637 /nfs/dbraw/zinc/88/36/37/556883637.db2.gz NJBKQQFUHKGSEV-RIYZIHGNSA-N -1 0 435.263 4.067 40 10 IICBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408913962 556889436 /nfs/dbraw/zinc/88/94/36/556889436.db2.gz WKEBKEBMCJMQRB-UDWIEESQSA-N -1 0 434.398 4.210 40 10 IICBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(OCc2cccc(F)c2)c1 ZINC000408937000 556895173 /nfs/dbraw/zinc/89/51/73/556895173.db2.gz LYAXFZMQTQIUMC-CPNJWEJPSA-N -1 0 434.398 4.210 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000408939357 556896413 /nfs/dbraw/zinc/89/64/13/556896413.db2.gz RWGKHPLUYLZQOG-DEDYPNTBSA-N -1 0 448.862 4.291 40 10 IICBRM Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408947777 556898268 /nfs/dbraw/zinc/89/82/68/556898268.db2.gz 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Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409130359 556967564 /nfs/dbraw/zinc/96/75/64/556967564.db2.gz HJYLEPPVBBFWRL-LZYBPNLTSA-N -1 0 449.326 4.286 40 10 IICBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)[N-]C1=S ZINC000409166338 556982264 /nfs/dbraw/zinc/98/22/64/556982264.db2.gz DUYIEAOPLAORKB-XSFVSMFZSA-N -1 0 445.544 4.242 40 10 IICBRM CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)cc1 ZINC000409235993 557018266 /nfs/dbraw/zinc/01/82/66/557018266.db2.gz DVECICBCMDDGCZ-CPNJWEJPSA-N -1 0 437.540 4.381 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000409236751 557018621 /nfs/dbraw/zinc/01/86/21/557018621.db2.gz HGSXQRQSWCPVNC-XSFVSMFZSA-N -1 0 447.466 4.298 40 10 IICBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000409238023 557019836 /nfs/dbraw/zinc/01/98/36/557019836.db2.gz JXQRSPABZWROIN-AYRRQIOMSA-N -1 0 447.394 4.001 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)[N-]C2=S)cc1Cl ZINC000409234607 557025870 /nfs/dbraw/zinc/02/58/70/557025870.db2.gz LWVCMHLZQSHTRE-WOJGMQOQSA-N -1 0 439.899 4.410 40 10 IICBRM COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])cc3)SC2=S)cc1Cl ZINC000409342084 557069611 /nfs/dbraw/zinc/06/96/11/557069611.db2.gz BTYOIWOQDNQYTE-LZYBPNLTSA-N -1 0 435.910 4.218 40 10 IICBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OC(C)C ZINC000409347727 557075963 /nfs/dbraw/zinc/07/59/63/557075963.db2.gz NFBNATXLKSZPDT-YBEGLDIGSA-N -1 0 434.564 4.090 40 10 IICBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)c1 ZINC000208445223 557087630 /nfs/dbraw/zinc/08/76/30/557087630.db2.gz ATGYNLJSIDTYGY-FYJGNVAPSA-N -1 0 445.519 4.383 40 10 IICBRM CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000095528653 557158067 /nfs/dbraw/zinc/15/80/67/557158067.db2.gz UPKRAJVVJLFKFB-VJBWXMMDSA-N -1 0 447.922 4.457 40 10 IICBRM COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000102723728 557306500 /nfs/dbraw/zinc/30/65/00/557306500.db2.gz SSMBVHOTILMQPB-YBEGLDIGSA-N -1 0 438.486 4.059 40 10 IICBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000033321668 557807402 /nfs/dbraw/zinc/80/74/02/557807402.db2.gz VIYHSDMFNMTDHD-LFIBNONCSA-N -1 0 437.795 4.379 40 10 IICBRM COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000034138455 557810933 /nfs/dbraw/zinc/81/09/33/557810933.db2.gz PFTXIELUGAOIBY-XNTDXEJSSA-N -1 0 445.269 4.281 40 10 IICBRM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000256055627 568663520 /nfs/dbraw/zinc/66/35/20/568663520.db2.gz NQJNPAWXDMDZER-SXGWCWSVSA-N -1 0 428.466 4.420 40 10 IICBRM CCOc1ccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)SC2=S)cc1 ZINC000027026928 568894828 /nfs/dbraw/zinc/89/48/28/568894828.db2.gz NMGBCVZMTCOMBW-UZNZLNSGSA-N -1 0 437.546 4.373 40 10 IICBRM Cc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000108928335 569253230 /nfs/dbraw/zinc/25/32/30/569253230.db2.gz QYTRPPAUYIDJBO-JLHYYAGUSA-N -1 0 428.448 4.216 40 10 IICBRM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1O ZINC000038168166 569260171 /nfs/dbraw/zinc/26/01/71/569260171.db2.gz SCIAQYJWBIFAJR-JYRVWZFOSA-N -1 0 447.310 4.225 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000002378279 132253348 /nfs/dbraw/zinc/25/33/48/132253348.db2.gz PXKFXSILOJRNSH-FYJGNVAPSA-N -1 0 433.508 4.373 40 10 IICBRM CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cccc(C(=O)[O-])c1 ZINC000408526611 555715733 /nfs/dbraw/zinc/71/57/33/555715733.db2.gz BSSFXVRWJSVRCX-YBEGLDIGSA-N -1 0 428.286 4.483 40 10 IICBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(N(C)C)cc3)C(=O)[O-])o2)c1 ZINC000408634321 556014685 /nfs/dbraw/zinc/01/46/85/556014685.db2.gz UJBOOIKBOYPRHF-NVMNQCDNSA-N -1 0 427.482 4.038 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408692338 556095504 /nfs/dbraw/zinc/09/55/04/556095504.db2.gz KDPZBHXONCYVLM-KGENOOAVSA-N -1 0 448.519 4.377 40 10 IICBRM Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408758004 556634039 /nfs/dbraw/zinc/63/40/39/556634039.db2.gz UEAUWENEVIVZOC-LPYMAVHISA-N -1 0 428.492 4.081 40 10 IICBRM Nc1c(S(=O)(=O)[O-])cc(Nc2cccc3ccccc32)c2c1C(=O)c1ccccc1C2=O ZINC000013831235 556744731 /nfs/dbraw/zinc/74/47/31/556744731.db2.gz ZHQRPIRGSWEALJ-UHFFFAOYSA-N -1 0 444.468 4.188 40 10 in-vitro IICBRM N/N=N\c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000064219205 556823061 /nfs/dbraw/zinc/82/30/61/556823061.db2.gz WARNVRCACIMIPA-QFIPXVFZSA-N -1 0 430.464 4.178 40 10 IICBRM COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408778157 556853843 /nfs/dbraw/zinc/85/38/43/556853843.db2.gz CCVSMSAUTJGIGJ-WUXMJOGZSA-N -1 0 425.655 4.322 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408779316 556853986 /nfs/dbraw/zinc/85/39/86/556853986.db2.gz VAQCROPUMRVZOZ-KGENOOAVSA-N -1 0 430.435 4.380 40 10 IICBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000408779382 556854067 /nfs/dbraw/zinc/85/40/67/556854067.db2.gz DLRYNDAHHKSPES-XDHOZWIPSA-N -1 0 445.431 4.446 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1Br ZINC000408805612 556860778 /nfs/dbraw/zinc/86/07/78/556860778.db2.gz HGXRQWPSNQQBIV-XNTDXEJSSA-N -1 0 443.297 4.131 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OC(C)C ZINC000408805569 556860864 /nfs/dbraw/zinc/86/08/64/556860864.db2.gz GTZAFAWHRUOMDZ-RVDMUPIBSA-N -1 0 428.872 4.192 40 10 IICBRM CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000408812627 556862982 /nfs/dbraw/zinc/86/29/82/556862982.db2.gz WZXDXQAJDKKUOH-LFIBNONCSA-N -1 0 443.297 4.131 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OC ZINC000408814846 556865255 /nfs/dbraw/zinc/86/52/55/556865255.db2.gz ZUULFNWOHNRTGO-VGOFMYFVSA-N -1 0 449.290 4.376 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408845733 556868834 /nfs/dbraw/zinc/86/88/34/556868834.db2.gz LISUFUNYDLRMRF-DEDYPNTBSA-N -1 0 446.434 4.080 40 10 IICBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2)c1 ZINC000408880402 556876241 /nfs/dbraw/zinc/87/62/41/556876241.db2.gz HQJBQQHPGSMEEU-OEAKJJBVSA-N -1 0 442.471 4.254 40 10 IICBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(Cc2ccccc2F)c1 ZINC000408884221 556877792 /nfs/dbraw/zinc/87/77/92/556877792.db2.gz XEKMTPDUKWWYPM-RGEXLXHISA-N -1 0 448.425 4.231 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)cc3)C2=O)cc1 ZINC000408882961 556878460 /nfs/dbraw/zinc/87/84/60/556878460.db2.gz OTSFZBKZPSCXKO-RCCKNPSSSA-N -1 0 430.435 4.092 40 10 IICBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc2)cc1 ZINC000408907975 556886814 /nfs/dbraw/zinc/88/68/14/556886814.db2.gz ABCFPEMZVBYSGE-LPYMAVHISA-N -1 0 430.435 4.380 40 10 IICBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000408936941 556896036 /nfs/dbraw/zinc/89/60/36/556896036.db2.gz LLTCWBXUBGBTQZ-XSFVSMFZSA-N -1 0 432.476 4.236 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C(C)(C)C ZINC000408960184 556900001 /nfs/dbraw/zinc/90/00/01/556900001.db2.gz DEBHGZGTQWBFCJ-GZTJUZNOSA-N -1 0 444.329 4.289 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000408960477 556900496 /nfs/dbraw/zinc/90/04/96/556900496.db2.gz MABJHFYFSKOZRI-LFIBNONCSA-N -1 0 430.291 4.260 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC)c(Cl)c3)C2=O)cc1 ZINC000409056405 556934232 /nfs/dbraw/zinc/93/42/32/556934232.db2.gz MAOGIVKDOZUDDH-OQLLNIDSSA-N -1 0 449.290 4.457 40 10 IICBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Br)o1 ZINC000409107506 556959331 /nfs/dbraw/zinc/95/93/31/556959331.db2.gz WJUXOYJOJDZDDM-SOFGYWHQSA-N -1 0 430.041 4.015 40 10 IICBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)[N-]C2=S)c1C ZINC000409140047 556971953 /nfs/dbraw/zinc/97/19/53/556971953.db2.gz DCOALXQVEQWLNV-PDGQHHTCSA-N -1 0 447.472 4.303 40 10 IICBRM COc1ccccc1N1C(=O)/C(=C/c2c(OC(C)C)ccc3ccccc32)C(=O)[N-]C1=S ZINC000409174895 556985257 /nfs/dbraw/zinc/98/52/57/556985257.db2.gz VIFULEHVRZFKMY-XMHGGMMESA-N -1 0 446.528 4.467 40 10 IICBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000409207644 556996733 /nfs/dbraw/zinc/99/67/33/556996733.db2.gz ZHOWUFWVGMAATD-BKUYFWCQSA-N -1 0 431.467 4.233 40 10 IICBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccccc1F ZINC000409225177 557013705 /nfs/dbraw/zinc/01/37/05/557013705.db2.gz JPHBOJXJBVYYIZ-WYMLVPIESA-N -1 0 425.872 4.101 40 10 IICBRM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409228396 557015279 /nfs/dbraw/zinc/01/52/79/557015279.db2.gz YIMKYLCHDMZLMD-PDGQHHTCSA-N -1 0 427.957 4.326 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000409221478 557016774 /nfs/dbraw/zinc/01/67/74/557016774.db2.gz QUUBMCZQDMPWJV-HKWRFOASSA-N -1 0 429.476 4.159 40 10 IICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)cc2F)C1=O ZINC000409232040 557023636 /nfs/dbraw/zinc/02/36/36/557023636.db2.gz GSDUWGZEBSPPME-LFIBNONCSA-N -1 0 427.863 4.054 40 10 IICBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)c2C)cc1 ZINC000409233926 557025290 /nfs/dbraw/zinc/02/52/90/557025290.db2.gz IPANOMNFZRTZOD-HZHRSRAPSA-N -1 0 442.519 4.498 40 10 IICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)c(F)c2)C1=O ZINC000409235250 557026289 /nfs/dbraw/zinc/02/62/89/557026289.db2.gz OLJJQMXWGOTUGH-FOWTUZBSSA-N -1 0 441.890 4.444 40 10 IICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cs2)C1=O ZINC000409246910 557028601 /nfs/dbraw/zinc/02/86/01/557028601.db2.gz KXKASOFEZJGQIW-IZZDOVSWSA-N -1 0 425.691 4.139 40 10 IICBRM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409241158 557031556 /nfs/dbraw/zinc/03/15/56/557031556.db2.gz JDSKYHFWMPKPGO-QGOAFFKASA-N -1 0 435.867 4.114 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1 ZINC000208198014 557079456 /nfs/dbraw/zinc/07/94/56/557079456.db2.gz ILTWAXCSAXVDPP-ZFMLPXDISA-N -1 0 447.535 4.474 40 10 IICBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409391410 557096114 /nfs/dbraw/zinc/09/61/14/557096114.db2.gz ICIHLOZOLBWJNB-UVTDQMKNSA-N -1 0 428.231 4.315 40 10 IICBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)c2C)cc1 ZINC000409394088 557098108 /nfs/dbraw/zinc/09/81/08/557098108.db2.gz VMFGRHIWVHXAQN-XQNSMLJCSA-N -1 0 442.519 4.498 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Br)cc1 ZINC000409401791 557102283 /nfs/dbraw/zinc/10/22/83/557102283.db2.gz ZZHANCJVMQRIAL-ZHZULCJRSA-N -1 0 449.304 4.490 40 10 IICBRM Cc1cccc(N2C(=O)CC(N3C(=O)C(=CC=Cc4ccccc4)SC3=S)=C2[O-])c1 ZINC000100872187 557277743 /nfs/dbraw/zinc/27/77/43/557277743.db2.gz QKENTNWPHIRJDI-ZVIIWEILSA-N -1 0 434.542 4.085 40 10 IICBRM COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000059136284 557815893 /nfs/dbraw/zinc/81/58/93/557815893.db2.gz RZUMQCVVNWSAQA-FMIVXFBMSA-N -1 0 435.274 4.268 40 10 IICBRM CC[C@@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC ZINC000033383368 569259148 /nfs/dbraw/zinc/25/91/48/569259148.db2.gz QVLRZCHGIOOJNY-GPLLRDDGSA-N -1 0 445.313 4.096 40 10 IICBRM CC(C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033632857 569259520 /nfs/dbraw/zinc/25/95/20/569259520.db2.gz MAPNCGKCKBXNBE-DHDCSXOGSA-N -1 0 435.705 4.351 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2Br)o1 ZINC000034705783 569259953 /nfs/dbraw/zinc/25/99/53/569259953.db2.gz OQDIOHUODKDIAF-WJDWOHSUSA-N -1 0 427.229 4.310 40 10 IICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 ZINC000208230936 569261234 /nfs/dbraw/zinc/26/12/34/569261234.db2.gz GXJSJJIBHNARGA-WMRWHDLOSA-N -1 0 447.535 4.392 40 10 IICBRM Cc1cc2c(cc1S(=O)(=O)[N-]c1nc(-c3ccc(Cl)cc3)cs1)oc(=O)n2C ZINC000223340773 193968652 /nfs/dbraw/zinc/96/86/52/193968652.db2.gz DEPVLRGHQXPFGJ-UHFFFAOYSA-N -1 0 435.914 4.018 40 10 IICBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000009264707 132311832 /nfs/dbraw/zinc/31/18/32/132311832.db2.gz FVTNCVJVFFNCGZ-BKUYFWCQSA-N -1 0 445.544 4.248 40 10 IICBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000012130572 527657030 /nfs/dbraw/zinc/65/70/30/527657030.db2.gz UBCIKZQFZPMNKY-BAAYTWLHSA-N -1 0 434.336 4.476 40 10 IICBRM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNc1c(Cl)cc(Cl)cc1Cl ZINC000408530180 555726356 /nfs/dbraw/zinc/72/63/56/555726356.db2.gz LLVIGARWVXCOKV-JLHYYAGUSA-N -1 0 438.698 4.264 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3Cl)C2=O)cc1C ZINC000408539877 555787304 /nfs/dbraw/zinc/78/73/04/555787304.db2.gz 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CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)c2c1 ZINC000408782939 556854968 /nfs/dbraw/zinc/85/49/68/556854968.db2.gz IXUBZQHFVULRHV-KGENOOAVSA-N -1 0 448.450 4.443 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000408782810 556855000 /nfs/dbraw/zinc/85/50/00/556855000.db2.gz JTPNYANGHLLTIK-MHWRWJLKSA-N -1 0 443.297 4.131 40 10 IICBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)c1 ZINC000408785025 556855586 /nfs/dbraw/zinc/85/55/86/556855586.db2.gz FJTCGKRLIAKVKR-HYARGMPZSA-N -1 0 429.476 4.159 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC ZINC000408803301 556859747 /nfs/dbraw/zinc/85/97/47/556859747.db2.gz NKVJRKNACRGQJT-MHWRWJLKSA-N -1 0 442.899 4.421 40 10 IICBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408807797 556861370 /nfs/dbraw/zinc/86/13/70/556861370.db2.gz HRHPGNLWYSXHQL-RIYZIHGNSA-N -1 0 449.688 4.086 40 10 IICBRM CCCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br 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/nfs/dbraw/zinc/87/71/59/556877159.db2.gz YKBSMMWWGQIZKZ-HYARGMPZSA-N -1 0 444.462 4.400 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408881019 556878300 /nfs/dbraw/zinc/87/83/00/556878300.db2.gz LSUBLKRAWANTSD-FYJGNVAPSA-N -1 0 446.434 4.080 40 10 IICBRM CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408901371 556882632 /nfs/dbraw/zinc/88/26/32/556882632.db2.gz XMUOIYUMWGXNKT-ATVHPVEESA-N -1 0 443.297 4.213 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1OCc1ccccc1 ZINC000408913556 556889429 /nfs/dbraw/zinc/88/94/29/556889429.db2.gz LUPNSARUWZNSOS-UDWIEESQSA-N -1 0 446.434 4.080 40 10 IICBRM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1C ZINC000408964799 556902302 /nfs/dbraw/zinc/90/23/02/556902302.db2.gz FAKJMRYINBVXIV-XMHGGMMESA-N -1 0 431.467 4.462 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408986554 556909705 /nfs/dbraw/zinc/90/97/05/556909705.db2.gz 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COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)cc1Br ZINC000223647281 557496630 /nfs/dbraw/zinc/49/66/30/557496630.db2.gz OQRBZFCKYKDVSU-UHFFFAOYSA-N -1 0 446.322 4.490 40 10 IICBRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000223838851 557519102 /nfs/dbraw/zinc/51/91/02/557519102.db2.gz WTHWOTDWJCEZRU-UHFFFAOYSA-N -1 0 443.908 4.467 40 10 IICBRM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)c3ccccc3)ccc21 ZINC000225808298 557779628 /nfs/dbraw/zinc/77/96/28/557779628.db2.gz MXAPHUIFUOSFET-UHFFFAOYSA-N -1 0 434.517 4.018 40 10 IICBRM CCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000059135662 557815546 /nfs/dbraw/zinc/81/55/46/557815546.db2.gz AMVMCEBZPASHLE-XNTDXEJSSA-N -1 0 433.233 4.494 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000059336649 557822187 /nfs/dbraw/zinc/82/21/87/557822187.db2.gz DXOQQJKVIZFCNG-RVDMUPIBSA-N -1 0 448.435 4.113 40 10 IICBRM Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000001181306 568736213 /nfs/dbraw/zinc/73/62/13/568736213.db2.gz XFRKEEAWXJEAFP-QGOAFFKASA-N -1 0 440.546 4.313 40 10 IICBRM COc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1S(=O)(=O)[O-] ZINC000004523058 569155460 /nfs/dbraw/zinc/15/54/60/569155460.db2.gz GAAUIFWXJUPEPQ-UHFFFAOYSA-N -1 0 440.565 4.254 40 10 IICBRM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000034746360 569260074 /nfs/dbraw/zinc/26/00/74/569260074.db2.gz CRGGBZWTMSAGHS-MOSHPQCFSA-N -1 0 442.544 4.368 40 10 IICBRM COc1cc(C=C2SC(Nc3cccc(C)c3C)=NC2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000210934619 569261530 /nfs/dbraw/zinc/26/15/30/569261530.db2.gz JCOAAAXGCNJHMG-AXLWCPOOSA-N -1 0 426.494 4.246 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Br)o1 ZINC000002303696 132251666 /nfs/dbraw/zinc/25/16/66/132251666.db2.gz ZHCVQUHDWWMXJC-YRNVUSSQSA-N -1 0 440.047 4.311 40 10 IICBRM Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccn2-c2ccccc2F)C(=O)[N-]C1=S ZINC000009262608 132311516 /nfs/dbraw/zinc/31/15/16/132311516.db2.gz JKAJJFDGWDGPGN-QINSGFPZSA-N -1 0 439.899 4.410 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OC ZINC000012418450 521946183 /nfs/dbraw/zinc/94/61/83/521946183.db2.gz ATYPXBXHSKMKIC-WZUFQYTHSA-N -1 0 427.671 4.125 40 10 IICBRM COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3C(=O)[O-])c2C)cc1 ZINC000005809864 556066706 /nfs/dbraw/zinc/06/67/06/556066706.db2.gz QNWOKZPUFYMYEW-OCOZRVBESA-N -1 0 435.440 4.291 40 10 IICBRM CCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000032101793 556529803 /nfs/dbraw/zinc/52/98/03/556529803.db2.gz VIIKDNKEBZWVQQ-ATVHPVEESA-N -1 0 439.424 4.289 40 10 IICBRM CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000016688957 556627005 /nfs/dbraw/zinc/62/70/05/556627005.db2.gz MSOKJHDGKOVRKE-ODLFYWEKSA-N -1 0 443.546 4.259 40 10 IICBRM COc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000408766282 556829641 /nfs/dbraw/zinc/82/96/41/556829641.db2.gz BJZUQYNBLUHDQE-OEAKJJBVSA-N -1 0 443.503 4.386 40 10 IICBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(Br)c3)C2=O)c1 ZINC000408803962 556859921 /nfs/dbraw/zinc/85/99/21/556859921.db2.gz VFIVTGIJRQZOEM-MHWRWJLKSA-N -1 0 443.297 4.211 40 10 IICBRM Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408850424 556870565 /nfs/dbraw/zinc/87/05/65/556870565.db2.gz NMIJTFBUVBZUFF-JMIUGGIZSA-N -1 0 449.919 4.216 40 10 IICBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000408865836 556873286 /nfs/dbraw/zinc/87/32/86/556873286.db2.gz CEXJXKJLLUUVIL-JCMHNJIXSA-N -1 0 428.513 4.405 40 10 IICBRM CCOc1cc(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)c1 ZINC000408866927 556873970 /nfs/dbraw/zinc/87/39/70/556873970.db2.gz IMPJXDUTABWJOW-BOPFTXTBSA-N -1 0 443.297 4.077 40 10 IICBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000408879853 556876153 /nfs/dbraw/zinc/87/61/53/556876153.db2.gz HIEHVTJMQOMVLV-VIZOYTHASA-N -1 0 449.688 4.086 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F ZINC000408876465 556876643 /nfs/dbraw/zinc/87/66/43/556876643.db2.gz LLPPMFPEVJILMX-MOSHPQCFSA-N -1 0 446.503 4.256 40 10 IICBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408878764 556877508 /nfs/dbraw/zinc/87/75/08/556877508.db2.gz AVICYWIGARYCNG-LICLKQGHSA-N -1 0 443.297 4.131 40 10 IICBRM CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCC(=O)[O-] ZINC000409093353 556949556 /nfs/dbraw/zinc/94/95/56/556949556.db2.gz YZPPSFXEBDUHHA-QNGOZBTKSA-N -1 0 442.471 4.383 40 10 IICBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c1C ZINC000409222046 557017177 /nfs/dbraw/zinc/01/71/77/557017177.db2.gz BNDJUZCGIQOQDX-FYJGNVAPSA-N -1 0 428.492 4.026 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409236095 557018210 /nfs/dbraw/zinc/01/82/10/557018210.db2.gz QZDGPYKCYOUVKJ-WOJGMQOQSA-N -1 0 448.910 4.426 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OCC ZINC000409245284 557027105 /nfs/dbraw/zinc/02/71/05/557027105.db2.gz QIJJNTRAHHBTDS-CPNJWEJPSA-N -1 0 438.549 4.439 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2cccc(C)c2C)C1=O ZINC000409246596 557028236 /nfs/dbraw/zinc/02/82/36/557028236.db2.gz JIMUWOXQUJFQPX-XDJHFCHBSA-N -1 0 429.476 4.159 40 10 IICBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)[N-]C2=S)c1 ZINC000409249731 557030105 /nfs/dbraw/zinc/03/01/05/557030105.db2.gz VKZPRCMKJFPKJJ-QGOAFFKASA-N -1 0 437.540 4.264 40 10 IICBRM CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2OC)C(=O)[N-]C1=S ZINC000409250337 557030563 /nfs/dbraw/zinc/03/05/63/557030563.db2.gz QPJAFWNIUOZOSM-HMMYKYKNSA-N -1 0 449.576 4.079 40 10 IICBRM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OCC)C2=O)c2ccccc12 ZINC000409242320 557032251 /nfs/dbraw/zinc/03/22/51/557032251.db2.gz QNIBJLLOJPTKIU-XDJHFCHBSA-N -1 0 430.460 4.304 40 10 IICBRM COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1OCC(=O)[O-] ZINC000409352255 557079654 /nfs/dbraw/zinc/07/96/54/557079654.db2.gz XIPNJMPMJXLLCS-YVLHZVERSA-N -1 0 429.519 4.181 40 10 IICBRM Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)[N-]C2=S)c1 ZINC000208445047 557087675 /nfs/dbraw/zinc/08/76/75/557087675.db2.gz WSBCIPJTQWONRM-DEDYPNTBSA-N -1 0 431.561 4.458 40 10 IICBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208503321 557093197 /nfs/dbraw/zinc/09/31/97/557093197.db2.gz UAMDUSNHNSVWPN-KGENOOAVSA-N -1 0 445.519 4.383 40 10 IICBRM O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000409410621 557103589 /nfs/dbraw/zinc/10/35/89/557103589.db2.gz YREGLORROBTUHI-ODKHDCHRSA-N -1 0 444.874 4.420 40 10 IICBRM CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000222792065 557387293 /nfs/dbraw/zinc/38/72/93/557387293.db2.gz KCEICYKPYNNIDU-FGZHOGPDSA-N -1 0 434.565 4.488 40 10 IICBRM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3nc(-c4ccc(Cl)cc4)cs3)ccc21 ZINC000223351054 557461279 /nfs/dbraw/zinc/46/12/79/557461279.db2.gz RXMAMUOZEJLVIE-UHFFFAOYSA-N -1 0 435.914 4.192 40 10 IICBRM CCOc1cc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)[O-] ZINC000016916254 557475897 /nfs/dbraw/zinc/47/58/97/557475897.db2.gz MIJHHBHLJKMLFG-LICLKQGHSA-N -1 0 432.885 4.285 40 10 IICBRM COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCc1ccc(C)cc1 ZINC000033378302 557807366 /nfs/dbraw/zinc/80/73/66/557807366.db2.gz FOKDBSIPVQNVEY-XDHOZWIPSA-N -1 0 443.546 4.259 40 10 IICBRM CCOc1cccc2ccc(/C=C3\SC(=S)N([C@@H](CCSC)C(=O)[O-])C3=O)nc21 ZINC000054361113 568940657 /nfs/dbraw/zinc/94/06/57/568940657.db2.gz HUNRZRPKVKMEOW-HNDQUVLASA-N -1 0 448.591 4.041 40 10 IICBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000108174392 569252630 /nfs/dbraw/zinc/25/26/30/569252630.db2.gz SGGMDRUGMFHJTB-MHWRWJLKSA-N -1 0 430.338 4.220 40 10 IICBRM N#Cc1ccccc1COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033645348 569259461 /nfs/dbraw/zinc/25/94/61/569259461.db2.gz HAFFASPAACACQP-BKUYFWCQSA-N -1 0 429.863 4.252 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000034690436 569259877 /nfs/dbraw/zinc/25/98/77/569259877.db2.gz NRYYFNNAJRHQBO-WQRHYEAKSA-N -1 0 449.850 4.289 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OC(C)(C)C ZINC000034805687 569259997 /nfs/dbraw/zinc/25/99/97/569259997.db2.gz MHRIKWNDUJGKLM-GDNBJRDFSA-N -1 0 445.313 4.096 40 10 IICBRM CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000035125233 569260008 /nfs/dbraw/zinc/26/00/08/569260008.db2.gz UALBNLNFAADEHB-STZFKDTASA-N -1 0 447.922 4.446 40 10 IICBRM COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000108136368 569260773 /nfs/dbraw/zinc/26/07/73/569260773.db2.gz KBAHINWFMBGQME-ZHZULCJRSA-N -1 0 448.862 4.029 40 10 IICBRM CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)[O-] ZINC000210457417 569261492 /nfs/dbraw/zinc/26/14/92/569261492.db2.gz NQXWGYPMAVKYRE-YVLHZVERSA-N -1 0 433.482 4.094 40 10 IICBRM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)o2)cc1 ZINC000009262473 132311540 /nfs/dbraw/zinc/31/15/40/132311540.db2.gz UREMIIIOMCEJKU-ATVHPVEESA-N -1 0 434.448 4.120 40 10 IICBRM COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000006645248 536660173 /nfs/dbraw/zinc/66/01/73/536660173.db2.gz MOWLUPGRECSTBR-AQTBWJFISA-N -1 0 436.514 4.271 40 10 IICBRM Cc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)c(S(=O)(=O)[O-])c1 ZINC000001679421 555709232 /nfs/dbraw/zinc/70/92/32/555709232.db2.gz UBBCSDOKROBQLR-UHFFFAOYSA-N -1 0 446.484 4.049 40 10 IICBRM Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408755106 556237955 /nfs/dbraw/zinc/23/79/55/556237955.db2.gz BNOBKRGXCYUOFM-NDENLUEZSA-N -1 0 434.883 4.117 40 10 IICBRM CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(=O)C2=C([O-])C(CO)NC2=O)[C@H]1/C=C/C=C/C[C@H](C)O ZINC000514288280 556624793 /nfs/dbraw/zinc/62/47/93/556624793.db2.gz AJDLKWSYDPWRCH-LHXUSNRGSA-N -1 0 443.584 4.208 40 10 biogenic,in-vitro IICBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408800650 556858334 /nfs/dbraw/zinc/85/83/34/556858334.db2.gz QJJDOXSBARWJHD-CJLVFECKSA-N -1 0 442.471 4.331 40 10 IICBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000408804884 556860506 /nfs/dbraw/zinc/86/05/06/556860506.db2.gz BZDSIVQDISECEE-OQLLNIDSSA-N -1 0 428.872 4.031 40 10 IICBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408814573 556865305 /nfs/dbraw/zinc/86/53/05/556865305.db2.gz RQIWNVCPBMGTDD-MHWRWJLKSA-N -1 0 428.872 4.112 40 10 IICBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000408873473 556875511 /nfs/dbraw/zinc/87/55/11/556875511.db2.gz UMUXWDCUGHQHIC-JCMHNJIXSA-N -1 0 428.513 4.405 40 10 IICBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408878386 556877217 /nfs/dbraw/zinc/87/72/17/556877217.db2.gz AGBQRPIVFOSUHG-LICLKQGHSA-N -1 0 443.297 4.131 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1Cc1cccc(F)c1 ZINC000408883886 556877788 /nfs/dbraw/zinc/87/77/88/556877788.db2.gz RROUOHHBIQSQAT-KGENOOAVSA-N -1 0 430.435 4.092 40 10 IICBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408900420 556882367 /nfs/dbraw/zinc/88/23/67/556882367.db2.gz SLADKZMWRJENDF-OQLLNIDSSA-N -1 0 449.290 4.457 40 10 IICBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000408912166 556886332 /nfs/dbraw/zinc/88/63/32/556886332.db2.gz PTCGRPPSHKHJLX-CIAFOILYSA-N -1 0 434.398 4.210 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1 ZINC000408915493 556890268 /nfs/dbraw/zinc/89/02/68/556890268.db2.gz WGPDUURHZMPTGM-UDWIEESQSA-N -1 0 446.434 4.080 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000408961828 556901129 /nfs/dbraw/zinc/90/11/29/556901129.db2.gz OHULIFNKJUPHOE-YBFXNURJSA-N -1 0 434.883 4.117 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3)C2=O)cc1 ZINC000408989507 556910813 /nfs/dbraw/zinc/91/08/13/556910813.db2.gz KXFYHJQYYFXDBO-JWGURIENSA-N -1 0 426.472 4.494 40 10 IICBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C(=O)N1 ZINC000409049123 556932096 /nfs/dbraw/zinc/93/20/96/556932096.db2.gz UVSHIMWJYWAIIT-UHFFFAOYSA-N -1 0 441.270 4.475 40 10 IICBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)cc1F ZINC000409102297 556956244 /nfs/dbraw/zinc/95/62/44/556956244.db2.gz RQEJYNALIMQKHJ-GXDHUFHOSA-N -1 0 448.281 4.399 40 10 IICBRM COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C)c4C)C3=O)c2c1 ZINC000409130790 556967774 /nfs/dbraw/zinc/96/77/74/556967774.db2.gz UWANSINFLXOBSG-DEDYPNTBSA-N -1 0 446.528 4.305 40 10 IICBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409138001 556970493 /nfs/dbraw/zinc/97/04/93/556970493.db2.gz YCZCVHDZCJJDHL-YAJBTMAUSA-N -1 0 438.549 4.321 40 10 IICBRM COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)[N-]C1=S ZINC000409173308 556984311 /nfs/dbraw/zinc/98/43/11/556984311.db2.gz OTUHDECHMPJIAQ-FOWTUZBSSA-N -1 0 438.892 4.440 40 10 IICBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409193471 556992990 /nfs/dbraw/zinc/99/29/90/556992990.db2.gz DJNQHTORVBINHP-WJDWOHSUSA-N -1 0 429.270 4.114 40 10 IICBRM CCOc1cccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c1OCC(=O)[O-] ZINC000409200708 557000127 /nfs/dbraw/zinc/00/01/27/557000127.db2.gz JVPMWVHULRLHGU-GZTJUZNOSA-N -1 0 429.519 4.263 40 10 IICBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)o1 ZINC000409202507 557001748 /nfs/dbraw/zinc/00/17/48/557001748.db2.gz RJBQTBGFQSIAFW-NVMNQCDNSA-N -1 0 443.477 4.189 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OCC)c1 ZINC000409229567 557015712 /nfs/dbraw/zinc/01/57/12/557015712.db2.gz RDUHDPGSDZIWRM-LFIBNONCSA-N -1 0 428.872 4.112 40 10 IICBRM COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409250004 557030481 /nfs/dbraw/zinc/03/04/81/557030481.db2.gz VSWLWXKXWYFBJJ-CXUHLZMHSA-N -1 0 444.940 4.312 40 10 IICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC)C1=O ZINC000002979287 557134408 /nfs/dbraw/zinc/13/44/08/557134408.db2.gz JWAWJOKATKFVDL-SDNWHVSQSA-N -1 0 445.269 4.363 40 10 IICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)C1=O ZINC000014132749 557421545 /nfs/dbraw/zinc/42/15/45/557421545.db2.gz IJYLNDSAKUHPRE-XSFVSMFZSA-N -1 0 430.435 4.380 40 10 IICBRM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000223794486 557514390 /nfs/dbraw/zinc/51/43/90/557514390.db2.gz HSSCAWDEEGNVBG-UHFFFAOYSA-N -1 0 429.881 4.158 40 10 IICBRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C ZINC000223823984 557517615 /nfs/dbraw/zinc/51/76/15/557517615.db2.gz OZRMVAAGDMAYBA-UHFFFAOYSA-N -1 0 443.908 4.467 40 10 IICBRM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(=O)OC(C)C)C1 ZINC000225774778 557775765 /nfs/dbraw/zinc/77/57/65/557775765.db2.gz OUQDCSTZHCGKIT-ZVPUSRDESA-N -1 0 431.554 4.290 40 10 IICBRM CC[C@H](C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000225775257 557776106 /nfs/dbraw/zinc/77/61/06/557776106.db2.gz ZRTARTCKEOUQGK-UKCJKJFHSA-N -1 0 431.554 4.434 40 10 IICBRM CC(C)(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O ZINC000013119446 562984635 /nfs/dbraw/zinc/98/46/35/562984635.db2.gz REZMHTGZGSOWNA-YBEGLDIGSA-N -1 0 429.450 4.023 40 10 IICBRM CC(=C/c1ccccc1)/C=C1\SC(=S)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000001452157 568818880 /nfs/dbraw/zinc/81/88/80/568818880.db2.gz BYMVPSWDCRIMSD-RQGFIEOQSA-N -1 0 425.491 4.087 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000034718417 569260067 /nfs/dbraw/zinc/26/00/67/569260067.db2.gz GPEYNNMAKAAPCF-UNOMPAQXSA-N -1 0 449.850 4.289 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2F)o1 ZINC000035199559 569260213 /nfs/dbraw/zinc/26/02/13/569260213.db2.gz CZFXTBXHDKRDAJ-WJDWOHSUSA-N -1 0 427.229 4.310 40 10 IICBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000204987062 569261121 /nfs/dbraw/zinc/26/11/21/569261121.db2.gz RXUNQYNYMMZZLF-ZRDIBKRKSA-N -1 0 438.336 4.264 40 10 IICBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208314097 569261271 /nfs/dbraw/zinc/26/12/71/569261271.db2.gz JGIKVJFWQSNCFR-ZFMLPXDISA-N -1 0 447.535 4.474 40 10 IICBRM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000208499084 569261353 /nfs/dbraw/zinc/26/13/53/569261353.db2.gz DFMYCVXJNPTQDD-NDENLUEZSA-N -1 0 434.477 4.334 40 10 IICBRM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000027533913 569267123 /nfs/dbraw/zinc/26/71/23/569267123.db2.gz AFRNHDVVLHZGOZ-KFXIKWRMSA-N -1 0 448.363 4.346 40 10 IICBRM O=C1C(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000003017918 132260595 /nfs/dbraw/zinc/26/05/95/132260595.db2.gz ITDMXXXAMREYAI-UHFFFAOYSA-N -1 0 445.456 4.049 40 10 IICBRM CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408533938 555749081 /nfs/dbraw/zinc/74/90/81/555749081.db2.gz PPHKYRZZGLMRHF-JXAWBTAJSA-N -1 0 430.512 4.286 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000035199542 555989005 /nfs/dbraw/zinc/98/90/05/555989005.db2.gz HDRUTHVIRCXNPP-MOSHPQCFSA-N -1 0 449.850 4.289 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 ZINC000408739273 556210057 /nfs/dbraw/zinc/21/00/57/556210057.db2.gz ARVVECGESREZIB-JCMHNJIXSA-N -1 0 429.476 4.159 40 10 IICBRM CCOc1cccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc43)C(=O)[N-]C2=S)c1 ZINC000408739928 556211289 /nfs/dbraw/zinc/21/12/89/556211289.db2.gz GTHSZGQHCLRUDE-ZHZULCJRSA-N -1 0 432.501 4.078 40 10 IICBRM Cc1nn(-c2ccc(C)cc2C)c(C)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000408756996 556236849 /nfs/dbraw/zinc/23/68/49/556236849.db2.gz 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4.177 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000408797987 556857484 /nfs/dbraw/zinc/85/74/84/556857484.db2.gz DFJGJGOCISJPBT-UKTHLTGXSA-N -1 0 449.290 4.457 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408799820 556857799 /nfs/dbraw/zinc/85/77/99/556857799.db2.gz LPRKHWASPZWPED-OQLLNIDSSA-N -1 0 449.290 4.457 40 10 IICBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408800828 556858397 /nfs/dbraw/zinc/85/83/97/556858397.db2.gz RHSHUMQKFCEJHI-VGOFMYFVSA-N -1 0 435.263 4.067 40 10 IICBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1Br ZINC000408806361 556858901 /nfs/dbraw/zinc/85/89/01/556858901.db2.gz IWPRQFRNFZSADM-LFIBNONCSA-N -1 0 443.297 4.213 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OC(C)C ZINC000408811024 556862532 /nfs/dbraw/zinc/86/25/32/556862532.db2.gz NGDUOYQSVVGSGH-CXUHLZMHSA-N -1 0 428.872 4.111 40 10 IICBRM CCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O ZINC000408818907 556864847 /nfs/dbraw/zinc/86/48/47/556864847.db2.gz YSDUZBSDSDNAOL-QGOAFFKASA-N -1 0 428.872 4.194 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C ZINC000408814788 556865348 /nfs/dbraw/zinc/86/53/48/556865348.db2.gz WFOCVBOFMTUBRU-VIZOYTHASA-N -1 0 449.290 4.456 40 10 IICBRM Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000408853064 556870161 /nfs/dbraw/zinc/87/01/61/556870161.db2.gz KZLNHUFJJMSZNZ-UKTHLTGXSA-N -1 0 430.316 4.316 40 10 IICBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408865560 556873408 /nfs/dbraw/zinc/87/34/08/556873408.db2.gz BFLYXUPZMORWMZ-LICLKQGHSA-N -1 0 443.297 4.131 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1 ZINC000408869168 556874357 /nfs/dbraw/zinc/87/43/57/556874357.db2.gz RLZCJBQTTZUIGB-XSFVSMFZSA-N -1 0 432.863 4.303 40 10 IICBRM Cc1ccc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408873810 556875786 /nfs/dbraw/zinc/87/57/86/556875786.db2.gz VZTXMZNOHDXYCG-RGEXLXHISA-N -1 0 430.435 4.380 40 10 IICBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(F)cc1 ZINC000408874031 556875808 /nfs/dbraw/zinc/87/58/08/556875808.db2.gz YTEHOZWBVHPGKZ-AQTBWJFISA-N -1 0 434.398 4.210 40 10 IICBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408875954 556876658 /nfs/dbraw/zinc/87/66/58/556876658.db2.gz IDZOZLTVXAYROG-RIYZIHGNSA-N -1 0 449.688 4.086 40 10 IICBRM CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408884910 556877732 /nfs/dbraw/zinc/87/77/32/556877732.db2.gz VWWLYQNPGJXWHQ-WJDWOHSUSA-N -1 0 445.338 4.068 40 10 IICBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(Cl)c3)C2=O)cc1 ZINC000408900032 556882088 /nfs/dbraw/zinc/88/20/88/556882088.db2.gz RBPNTDBRRLNTOV-ATVHPVEESA-N -1 0 428.872 4.194 40 10 IICBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)[N-]C2=S)c1 ZINC000408991629 556911726 /nfs/dbraw/zinc/91/17/26/556911726.db2.gz OOUPMLYUQMAIJG-SFQUDFHCSA-N -1 0 435.530 4.274 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCC)C2=O)cc1 ZINC000409045195 556930302 /nfs/dbraw/zinc/93/03/02/556930302.db2.gz FPGBFGGRODCUJT-MHWRWJLKSA-N -1 0 449.290 4.457 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000409128895 556966799 /nfs/dbraw/zinc/96/67/99/556966799.db2.gz SUGLGNBMCIYZSN-PDGQHHTCSA-N -1 0 447.472 4.303 40 10 IICBRM O=C(NN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC1=S)c1ccccc1 ZINC000409174779 556985216 /nfs/dbraw/zinc/98/52/16/556985216.db2.gz VAPRYAUPWKMWFN-JYRVWZFOSA-N -1 0 425.318 4.245 40 10 IICBRM CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409238906 557020447 /nfs/dbraw/zinc/02/04/47/557020447.db2.gz OILAKSOGHYWSOU-MHWRWJLKSA-N -1 0 434.439 4.324 40 10 IICBRM Cc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000409240142 557021209 /nfs/dbraw/zinc/02/12/09/557021209.db2.gz OSKAJSKRFPKMPM-OVCLIPMQSA-N -1 0 440.322 4.070 40 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437.565 4.450 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC ZINC000408801507 556858643 /nfs/dbraw/zinc/85/86/43/556858643.db2.gz UGBYILFIUNSNRW-OQLLNIDSSA-N -1 0 428.872 4.031 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000408804241 556860213 /nfs/dbraw/zinc/86/02/13/556860213.db2.gz DPZRROSDVYTFOG-HYARGMPZSA-N -1 0 442.471 4.249 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408819588 556865701 /nfs/dbraw/zinc/86/57/01/556865701.db2.gz XWWUXJDNWVEXNU-LICLKQGHSA-N -1 0 442.899 4.365 40 10 IICBRM CCOc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408872423 556875254 /nfs/dbraw/zinc/87/52/54/556875254.db2.gz NCHDLBIPMFQTPV-CXUHLZMHSA-N -1 0 449.688 4.168 40 10 IICBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408877468 556877195 /nfs/dbraw/zinc/87/71/95/556877195.db2.gz WCCQMTNTJUITBL-YBEGLDIGSA-N -1 0 444.940 4.357 40 10 IICBRM 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441.490 4.303 40 10 in-vivo IICBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C2=O)c1 ZINC000408752402 556236137 /nfs/dbraw/zinc/23/61/37/556236137.db2.gz AKJZVKULVBATKH-OEAKJJBVSA-N -1 0 443.503 4.468 40 10 IICBRM Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000408755054 556238009 /nfs/dbraw/zinc/23/80/09/556238009.db2.gz BECIIRQXHKCZCV-NDENLUEZSA-N -1 0 434.883 4.117 40 10 IICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)ccc1Br ZINC000408756056 556239154 /nfs/dbraw/zinc/23/91/54/556239154.db2.gz SZLFWBBVFBVQLB-GZTJUZNOSA-N -1 0 443.297 4.211 40 10 IICBRM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C(=O)[N-]C1=S ZINC000408771185 556846673 /nfs/dbraw/zinc/84/66/73/556846673.db2.gz DIQYAVDBPATKCS-RCCKNPSSSA-N -1 0 429.545 4.488 40 10 IICBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000408779921 556854219 /nfs/dbraw/zinc/85/42/19/556854219.db2.gz NPEJQZBVGIEGNQ-RVDMUPIBSA-N -1 0 448.435 4.113 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Br ZINC000408802271 556859443 /nfs/dbraw/zinc/85/94/43/556859443.db2.gz XXPFUWMSWRQPJA-FMIVXFBMSA-N -1 0 449.688 4.168 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408803534 556859838 /nfs/dbraw/zinc/85/98/38/556859838.db2.gz QEBZIANNCCJLNG-DEDYPNTBSA-N -1 0 448.862 4.291 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(Cc2ccccc2F)c1 ZINC000408865211 556873280 /nfs/dbraw/zinc/87/32/80/556873280.db2.gz BXNTYUAMIBCVGR-RCCKNPSSSA-N -1 0 444.462 4.400 40 10 IICBRM CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Br ZINC000408865291 556873329 /nfs/dbraw/zinc/87/33/29/556873329.db2.gz CWJYQANCPSYFLO-LCYFTJDESA-N -1 0 447.260 4.042 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccccc1Cc1ccccc1Cl ZINC000408865770 556873348 /nfs/dbraw/zinc/87/33/48/556873348.db2.gz FKCCCRGGIKCPPG-XSFVSMFZSA-N -1 0 432.863 4.303 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(Cc2ccccc2F)c1 ZINC000408866779 556873594 /nfs/dbraw/zinc/87/35/94/556873594.db2.gz IWEBZTLJOGZYRY-PXLXIMEGSA-N -1 0 444.462 4.400 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Cc2cccc(F)c2)c1 ZINC000408868578 556874200 /nfs/dbraw/zinc/87/42/00/556874200.db2.gz OZIGOSSRNSNARD-HZHRSRAPSA-N -1 0 444.462 4.400 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1Cc1cccc(F)c1 ZINC000408869608 556874525 /nfs/dbraw/zinc/87/45/25/556874525.db2.gz SLSOKQHKEXFNKT-UYRXBGFRSA-N -1 0 448.425 4.231 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1Cc1ccccc1F ZINC000408870768 556874696 /nfs/dbraw/zinc/87/46/96/556874696.db2.gz XKXVLIFXLWACSX-FYJGNVAPSA-N -1 0 444.462 4.400 40 10 IICBRM CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Br ZINC000408872819 556875311 /nfs/dbraw/zinc/87/53/11/556875311.db2.gz JHIVDWSKYNYQMY-RAXLEYEMSA-N -1 0 447.260 4.043 40 10 IICBRM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(Cc2ccccc2F)c1 ZINC000408874502 556875825 /nfs/dbraw/zinc/87/58/25/556875825.db2.gz CRGQYXLOLAWNAZ-QNGOZBTKSA-N -1 0 446.503 4.256 40 10 IICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(Cc2cccc(F)c2)c1 ZINC000408878497 556877492 /nfs/dbraw/zinc/87/74/92/556877492.db2.gz BMBBJJJKVXAVFP-PXLXIMEGSA-N -1 0 430.435 4.092 40 10 IICBRM CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408902599 556885319 /nfs/dbraw/zinc/88/53/19/556885319.db2.gz KVTQSRSJKSBSNS-RGZVIEDOSA-N -1 0 446.862 4.331 40 10 IICBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1O ZINC000408938235 556897226 /nfs/dbraw/zinc/89/72/26/556897226.db2.gz PMQVGQUWMWMVNX-WDZFZDKYSA-N -1 0 445.180 4.384 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccccc1 ZINC000408960107 556899931 /nfs/dbraw/zinc/89/99/31/556899931.db2.gz BUBYDJYRVUHHEH-FYJGNVAPSA-N -1 0 433.895 4.473 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 ZINC000408982519 556907958 /nfs/dbraw/zinc/90/79/58/556907958.db2.gz HMCMHRRBPLBQPR-HMAPJEAMSA-N -1 0 429.476 4.029 40 10 IICBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=S ZINC000409005593 556915849 /nfs/dbraw/zinc/91/58/49/556915849.db2.gz GDAMPQDZPNGFBU-WQRHYEAKSA-N -1 0 429.519 4.194 40 10 IICBRM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4cccc(F)c4)C3=O)o2)cc1 ZINC000409021650 556922437 /nfs/dbraw/zinc/92/24/37/556922437.db2.gz RSBYVURKEYUCQZ-XDHOZWIPSA-N -1 0 434.448 4.120 40 10 IICBRM COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000409039987 556928776 /nfs/dbraw/zinc/92/87/76/556928776.db2.gz DYVKOHZUCXYWRY-AWNIVKPZSA-N -1 0 425.655 4.322 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000409100815 556955503 /nfs/dbraw/zinc/95/55/03/556955503.db2.gz VFLITBFEYVMKSM-JLHYYAGUSA-N -1 0 449.290 4.457 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)[N-]C2=S)c(C)c1 ZINC000409131167 556967810 /nfs/dbraw/zinc/96/78/10/556967810.db2.gz NLIJFJKEUNMBHX-ATVHPVEESA-N -1 0 447.472 4.303 40 10 IICBRM CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cccc1OC ZINC000409148587 556973801 /nfs/dbraw/zinc/97/38/01/556973801.db2.gz QQOBENCZSNPFKF-HZGBGQKMSA-N -1 0 438.549 4.321 40 10 IICBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)c2C)cc1 ZINC000409186770 556991176 /nfs/dbraw/zinc/99/11/76/556991176.db2.gz HQPRJKBAYQBWTJ-LPYMAVHISA-N -1 0 447.466 4.298 40 10 IICBRM CCOc1cccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c1OCC(=O)[O-] ZINC000409209182 556998240 /nfs/dbraw/zinc/99/82/40/556998240.db2.gz HOBUXKZCIIHSHJ-CXUHLZMHSA-N -1 0 433.482 4.094 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000409201479 557000519 /nfs/dbraw/zinc/00/05/19/557000519.db2.gz NLHLELJGFBBMKT-XYOKQWHBSA-N -1 0 440.080 4.422 40 10 IICBRM O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1 ZINC000409205069 557003335 /nfs/dbraw/zinc/00/33/35/557003335.db2.gz KTSRWIZODXLXNZ-VGOFMYFVSA-N -1 0 437.296 4.469 40 10 IICBRM CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O ZINC000409210290 557004835 /nfs/dbraw/zinc/00/48/35/557004835.db2.gz JVJQTXBWGXHDKH-CCOVPTLTSA-N -1 0 443.477 4.331 40 10 IICBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)[N-]C2=S)c1 ZINC000409231894 557023507 /nfs/dbraw/zinc/02/35/07/557023507.db2.gz LQPKVAYEQILRJL-LDADJPATSA-N -1 0 447.472 4.303 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OCC)c1 ZINC000409247506 557028921 /nfs/dbraw/zinc/02/89/21/557028921.db2.gz CZRLYSHCIHWFBS-LICLKQGHSA-N -1 0 444.940 4.277 40 10 IICBRM Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N([N-]C(=O)c2cccs2)C1=O ZINC000409328383 557062553 /nfs/dbraw/zinc/06/25/53/557062553.db2.gz UBWGANBZCWEKGI-SFQUDFHCSA-N -1 0 429.592 4.203 40 10 IICBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409408474 557107800 /nfs/dbraw/zinc/10/78/00/557107800.db2.gz QUYUICXTGMPPAJ-MOSHPQCFSA-N -1 0 434.879 4.389 40 10 IICBRM CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000106746674 557160584 /nfs/dbraw/zinc/16/05/84/557160584.db2.gz LXHBFXKLDURFKX-PXNMLYILSA-N -1 0 449.868 4.286 40 10 IICBRM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1nn(-c2ccccc2)nc1C(=O)c1ccccc1 ZINC000100955124 557279760 /nfs/dbraw/zinc/27/97/60/557279760.db2.gz WFCWUSLUFXPNJC-ZPKNHPDFSA-N -1 0 449.474 4.373 40 10 IICBRM CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000222791876 557387339 /nfs/dbraw/zinc/38/73/39/557387339.db2.gz KCEICYKPYNNIDU-VXKWHMMOSA-N -1 0 434.565 4.488 40 10 IICBRM CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000100722270 557455144 /nfs/dbraw/zinc/45/51/44/557455144.db2.gz UPKRAJVVJLFKFB-XPWALMASSA-N -1 0 447.922 4.457 40 10 IICBRM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000059194087 557818221 /nfs/dbraw/zinc/81/82/21/557818221.db2.gz QUYUICXTGMPPAJ-DEDYPNTBSA-N -1 0 434.879 4.389 40 10 IICBRM CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)[N-]C2=S)cc1 ZINC000108171553 569252606 /nfs/dbraw/zinc/25/26/06/569252606.db2.gz PKEJBNBEDLQGBU-RCCKNPSSSA-N -1 0 429.545 4.488 40 10 IICBRM COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)(C)C ZINC000033780008 569259897 /nfs/dbraw/zinc/25/98/97/569259897.db2.gz SBBLRYYBJPQMQS-WJDWOHSUSA-N -1 0 445.313 4.096 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccccc1 ZINC000107900484 569260711 /nfs/dbraw/zinc/26/07/11/569260711.db2.gz ILKLZFVFYMLMBR-UNOMPAQXSA-N -1 0 449.850 4.289 40 10 IICBRM CCc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(=O)[N-]C2=S)cc1 ZINC000108994924 569260956 /nfs/dbraw/zinc/26/09/56/569260956.db2.gz LIFGVDKPFMZAIW-CPNJWEJPSA-N -1 0 437.540 4.128 40 10 IICBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000211087814 569261514 /nfs/dbraw/zinc/26/15/14/569261514.db2.gz CGMZEPSZCJKZID-GZTJUZNOSA-N -1 0 428.872 4.194 40 10 IICBRM COc1ccc2nc(/C=C3\SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)ccc2c1 ZINC000054360850 193931012 /nfs/dbraw/zinc/93/10/12/193931012.db2.gz NCLSXSRWTVUNMO-XLXASQRYSA-N -1 0 436.514 4.271 40 10 IICBRM COc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCc1ccc(C)cc1 ZINC000001238447 555687093 /nfs/dbraw/zinc/68/70/93/555687093.db2.gz FOKDBSIPVQNVEY-UNOMPAQXSA-N -1 0 443.546 4.259 40 10 IICBRM Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408529191 555722565 /nfs/dbraw/zinc/72/25/65/555722565.db2.gz CJQLXARGSPGUGA-JXAWBTAJSA-N -1 0 444.418 4.020 40 10 IICBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3Cl)C2=O)c1C ZINC000408532328 555741432 /nfs/dbraw/zinc/74/14/32/555741432.db2.gz MIWQODRPWJWWEW-LCYFTJDESA-N -1 0 448.704 4.298 40 10 IICBRM O=C([O-])c1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 ZINC000002228704 555760258 /nfs/dbraw/zinc/76/02/58/555760258.db2.gz XOURRFJGUCGWGM-LFIBNONCSA-N -1 0 446.937 4.268 40 10 IICBRM Cc1cccc(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408535540 555764290 /nfs/dbraw/zinc/76/42/90/555764290.db2.gz TWWLNKNYXUCXLF-XNTDXEJSSA-N -1 0 442.313 4.262 40 10 IICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000035199549 555989345 /nfs/dbraw/zinc/98/93/45/555989345.db2.gz SIEMGFBBEUISQM-MOSHPQCFSA-N -1 0 449.850 4.289 40 10 IICBRM O=C1C(Cl)=CC([N+](=O)[O-])=CC1=NN=c1cc(S(=O)(=O)[O-])c2cccc3n[nH][nH]c1=c32 ZINC000004705987 556006912 /nfs/dbraw/zinc/00/69/12/556006912.db2.gz DCOVSEQSTYJJGF-VHEBQXMUSA-N -1 0 448.804 4.040 40 10 IICBRM COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000009188667 556251648 /nfs/dbraw/zinc/25/16/48/556251648.db2.gz INJLIPSNLTZWDJ-NCUBORBFSA-N -1 0 429.519 4.121 40 10 IICBRM CC[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000015013081 556484157 /nfs/dbraw/zinc/48/41/57/556484157.db2.gz KLNHNFXKSZEVOS-GPLLRDDGSA-N -1 0 428.872 4.192 40 10 IICBRM CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)c1 ZINC000032193994 556537113 /nfs/dbraw/zinc/53/71/13/556537113.db2.gz KUTNZIKYPBYOPU-UYRXBGFRSA-N -1 0 436.464 4.316 40 10 IICBRM CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(=O)C2=C([O-])C(CO)NC2=O)[C@H]1/C=C/C=C/C[C@@H](C)O ZINC000514288278 556624696 /nfs/dbraw/zinc/62/46/96/556624696.db2.gz AJDLKWSYDPWRCH-BXOAECRPSA-N -1 0 443.584 4.208 40 10 biogenic,in-vitro IICBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408781166 556853808 /nfs/dbraw/zinc/85/38/08/556853808.db2.gz AOCRHNOXWUFYOF-WDZFZDKYSA-N -1 0 425.655 4.322 40 10 IICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 ZINC000408798018 556857527 /nfs/dbraw/zinc/85/75/27/556857527.db2.gz DKJKETOZNGSUAG-DEDYPNTBSA-N -1 0 448.862 4.291 40 10 IICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408808543 556861534 /nfs/dbraw/zinc/86/15/34/556861534.db2.gz QCDFDJNHMAWSTN-LFIBNONCSA-N -1 0 428.872 4.194 40 10 IICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 ZINC000408810399 556862123 /nfs/dbraw/zinc/86/21/23/556862123.db2.gz PJVMRADOBCJJBR-GZTJUZNOSA-N -1 0 428.872 4.192 40 10 IICBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000408816117 556863652 /nfs/dbraw/zinc/86/36/52/556863652.db2.gz SNYANDSJCKBSHO-OQLLNIDSSA-N -1 0 428.872 4.031 40 10 IICBRM CCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408871549 556875059 /nfs/dbraw/zinc/87/50/59/556875059.db2.gz HEKOXXALLZSRBL-VBKFSLOCSA-N -1 0 445.338 4.069 40 10 IICBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC)ccc4ccccc43)C2=O)cc1 ZINC000408894210 556879821 /nfs/dbraw/zinc/87/98/21/556879821.db2.gz BQYPOLTZGGTPIJ-QNGOZBTKSA-N -1 0 430.460 4.304 40 10 IICBRM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCC)c1 ZINC000408985682 556909309 /nfs/dbraw/zinc/90/93/09/556909309.db2.gz XORDDIYCBFLLNQ-YVLHZVERSA-N -1 0 428.872 4.112 40 10 IICBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409103161 556956600 /nfs/dbraw/zinc/95/66/00/556956600.db2.gz BEYWWNXWTOABGH-JLHYYAGUSA-N -1 0 448.281 4.399 40 10 IICBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1Cl ZINC000409168881 556983184 /nfs/dbraw/zinc/98/31/84/556983184.db2.gz UVIDFPLTYNFWQR-JMRXEAOASA-N -1 0 444.940 4.357 40 10 IICBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409220682 557016113 /nfs/dbraw/zinc/01/61/13/557016113.db2.gz DFAHEXVSGSWDIA-CPNJWEJPSA-N -1 0 439.899 4.005 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC ZINC000409240742 557021617 /nfs/dbraw/zinc/02/16/17/557021617.db2.gz PPNVJISEKQGNCB-OQLLNIDSSA-N -1 0 444.940 4.195 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409233182 557024734 /nfs/dbraw/zinc/02/47/34/557024734.db2.gz RPHYXANXRCWNIF-FOWTUZBSSA-N -1 0 429.929 4.063 40 10 IICBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000409243298 557033182 /nfs/dbraw/zinc/03/31/82/557033182.db2.gz RONUJNOMQPKERI-XDHOZWIPSA-N -1 0 449.894 4.428 40 10 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ZINC000108028393 569260841 /nfs/dbraw/zinc/26/08/41/569260841.db2.gz FXXQHSVYEWJICH-BOPFTXTBSA-N -1 0 442.265 4.025 40 10 IICBRM CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000210456767 569261537 /nfs/dbraw/zinc/26/15/37/569261537.db2.gz HQYXXNONGDVOIC-WQRHYEAKSA-N -1 0 429.519 4.263 40 10 IICBRM CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000008895159 132297144 /nfs/dbraw/zinc/29/71/44/132297144.db2.gz CYSBTHQHPBSYCG-FOWTUZBSSA-N -1 0 443.297 4.213 40 10 IICBRM Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O ZINC000009260409 132311500 /nfs/dbraw/zinc/31/15/00/132311500.db2.gz GVESNCJOGOHISN-XDHOZWIPSA-N -1 0 425.941 4.080 40 10 IICBRM CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000035898120 519752085 /nfs/dbraw/zinc/75/20/85/519752085.db2.gz GBXXKKIGBLJUTA-BODMPHMZSA-N -1 0 431.554 4.434 40 10 IICBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1Cc1ccccc1 ZINC000015013131 526088236 /nfs/dbraw/zinc/08/82/36/526088236.db2.gz YRIAWNBIEFFIPL-BKUYFWCQSA-N -1 0 433.508 4.124 40 10 IICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3Cl)C2=O)c(C)c1 ZINC000408537948 555782923 /nfs/dbraw/zinc/78/29/23/555782923.db2.gz ILDZGEIVJNISKA-UKTHLTGXSA-N -1 0 448.704 4.298 40 10 IICBRM COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1OC(=O)c1ccco1 ZINC000016160884 556586110 /nfs/dbraw/zinc/58/61/10/556586110.db2.gz MNAZEGKXCFENHE-PDGQHHTCSA-N -1 0 446.415 4.012 40 10 IICBRM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3cccc4ccccc43)C2=O)cc1[N+](=O)[O-] ZINC000016678657 556623457 /nfs/dbraw/zinc/62/34/57/556623457.db2.gz ZORQNUJLWGZPPE-RGEXLXHISA-N -1 0 430.464 4.056 40 10 IICBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408759571 556686654 /nfs/dbraw/zinc/68/66/54/556686654.db2.gz HGNIGDUKEUEEDN-HYARGMPZSA-N -1 0 445.544 4.242 40 10 IICBRM Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000408758157 556842944 /nfs/dbraw/zinc/84/29/44/556842944.db2.gz WECBNPZYHLFOAF-UDWIEESQSA-N -1 0 434.431 4.255 40 10 IICBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000408772831 556847877 /nfs/dbraw/zinc/84/78/77/556847877.db2.gz RREDYDIQDYGDNC-RMKNXTFCSA-N -1 0 427.696 4.184 40 10 IICBRM COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)o2)c1C ZINC000408780124 556854400 /nfs/dbraw/zinc/85/44/00/556854400.db2.gz STDOFANXBWVELO-DEDYPNTBSA-N -1 0 444.443 4.016 40 10 IICBRM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 ZINC000408783750 556855334 /nfs/dbraw/zinc/85/53/34/556855334.db2.gz QMVDFWBJVHAUNZ-FYJGNVAPSA-N -1 0 428.444 4.432 40 10 IICBRM CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000408797540 556857442 /nfs/dbraw/zinc/85/74/42/556857442.db2.gz GOWGFCKQLSXZRU-JLHYYAGUSA-N -1 0 449.688 4.168 40 10 IICBRM CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408803472 556859846 /nfs/dbraw/zinc/85/98/46/556859846.db2.gz PHFNWKQCPIXMSN-DEDYPNTBSA-N -1 0 445.431 4.202 40 10 IICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000408803911 556859954 /nfs/dbraw/zinc/85/99/54/556859954.db2.gz URIDQMLXHFKOSI-GZTJUZNOSA-N -1 0 428.872 4.192 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408804631 556860484 /nfs/dbraw/zinc/86/04/84/556860484.db2.gz ZBELWKXNABZCPJ-NTEUORMPSA-N -1 0 449.290 4.457 40 10 IICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408808961 556861588 /nfs/dbraw/zinc/86/15/88/556861588.db2.gz GXGDWYFFXCGNMC-MHWRWJLKSA-N -1 0 428.872 4.112 40 10 IICBRM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408859427 556872286 /nfs/dbraw/zinc/87/22/86/556872286.db2.gz UFVGVORJDFOZNL-YRNVUSSQSA-N -1 0 436.276 4.041 40 10 IICBRM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408892926 556881670 /nfs/dbraw/zinc/88/16/70/556881670.db2.gz APAXAAXYPZGHLV-ZROIWOOFSA-N -1 0 449.688 4.086 40 10 IICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C(C)C ZINC000408962131 556901369 /nfs/dbraw/zinc/90/13/69/556901369.db2.gz GVQDMSKPEAIPQK-LICLKQGHSA-N -1 0 430.302 4.115 40 10 IICBRM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1C ZINC000408964245 556901987 /nfs/dbraw/zinc/90/19/87/556901987.db2.gz CKSFMIFBRYWQTE-FYJGNVAPSA-N -1 0 431.467 4.462 40 10 IICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4F)c3C)C2=O)cc1 ZINC000408982583 556907945 /nfs/dbraw/zinc/90/79/45/556907945.db2.gz IBILVRQSKMXERN-ZHZULCJRSA-N -1 0 431.467 4.462 40 10 IICBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)[N-]C2=S)cc1C ZINC000408993899 556913014 /nfs/dbraw/zinc/91/30/14/556913014.db2.gz XXZSOABPPDGRBE-SFQUDFHCSA-N -1 0 435.530 4.274 40 10 IICBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)[N-]C1=S ZINC000409098558 556954040 /nfs/dbraw/zinc/95/40/40/556954040.db2.gz PGJYJLWXOBVVDQ-BHAVQNJHSA-N -1 0 425.941 4.102 40 10 IICBRM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000409106128 556958958 /nfs/dbraw/zinc/95/89/58/556958958.db2.gz MLYHPRJJMPIUOO-DHZHZOJOSA-N -1 0 425.655 4.322 40 10 IICBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccn1 ZINC000409239509 557020786 /nfs/dbraw/zinc/02/07/86/557020786.db2.gz NWLLNRHFMSFKBJ-SFQUDFHCSA-N -1 0 434.883 4.117 40 10 IICBRM CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cccc1OC ZINC000409245929 557027608 /nfs/dbraw/zinc/02/76/08/557027608.db2.gz AYZLPRVSYRRFGF-UESPBHMZSA-N -1 0 444.940 4.357 40 10 IICBRM Cc1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)c3ccccc32)cc1 ZINC000409241953 557031905 /nfs/dbraw/zinc/03/19/05/557031905.db2.gz SXVNCFMIUVWMHW-LPYMAVHISA-N -1 0 436.471 4.059 40 10 IICBRM COc1cccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1OCC(=O)[O-] ZINC000409335029 557072247 /nfs/dbraw/zinc/07/22/47/557072247.db2.gz YKFSTYYZKZNGSF-CXUHLZMHSA-N -1 0 447.559 4.286 40 10 IICBRM CCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c(OCC)c1 ZINC000409338271 557073440 /nfs/dbraw/zinc/07/34/40/557073440.db2.gz GXUPGKCMOYIUFG-MHWRWJLKSA-N -1 0 434.564 4.092 40 10 IICBRM COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)[N-]C2=S)cc1 ZINC000208448213 557087665 /nfs/dbraw/zinc/08/76/65/557087665.db2.gz DFUKVDXNZYIFMP-DEDYPNTBSA-N -1 0 447.560 4.158 40 10 IICBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000059104474 557814109 /nfs/dbraw/zinc/81/41/09/557814109.db2.gz ACUHOCWLTMAJAY-LFIBNONCSA-N -1 0 440.452 4.008 40 10 IICBRM CCOc1cccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)c1 ZINC000059138119 557816318 /nfs/dbraw/zinc/81/63/18/557816318.db2.gz NQZNNKPRCVCKMA-NBVRZTHBSA-N -1 0 425.510 4.340 40 10 IICBRM O=C1/C(=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])SC(=S)N1c1ccccc1 ZINC000059422895 557823614 /nfs/dbraw/zinc/82/36/14/557823614.db2.gz QWMRAGMRFCZXDY-NTUHNPAUSA-N -1 0 437.296 4.469 40 10 IICBRM CCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000107966534 569251908 /nfs/dbraw/zinc/25/19/08/569251908.db2.gz VJWTZBQGHASDGL-ATVHPVEESA-N -1 0 443.843 4.094 40 10 IICBRM CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC ZINC000033383371 569259123 /nfs/dbraw/zinc/25/91/23/569259123.db2.gz QVLRZCHGIOOJNY-HNEYUBDGSA-N -1 0 445.313 4.096 40 10 IICBRM CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC ZINC000033383369 569259229 /nfs/dbraw/zinc/25/92/29/569259229.db2.gz QVLRZCHGIOOJNY-VVBXCHJUSA-N -1 0 445.313 4.096 40 10 IICBRM COc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)[O-])c3ccccc3)C2=O)cc1OC ZINC000012032234 569303534 /nfs/dbraw/zinc/30/35/34/569303534.db2.gz XEPSCNHVKJUICU-CLXYIWAZSA-N -1 0 429.519 4.121 40 10 IICBRM