smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c2cc(N=CC3C(=O)N(c4ccc(C)cc4)N=C3C)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408529315 555723034 /nfs/dbraw/zinc/72/30/34/555723034.db2.gz HLNYZJKCMNTYOK-LGMDPLHJSA-N 0 2 448.483 3.778 40 10 IHCBLN CCC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408536663 555774017 /nfs/dbraw/zinc/77/40/17/555774017.db2.gz SKSKQYVEQCEIQH-GDNBJRDFSA-N 0 2 432.354 3.687 40 10 IHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741640 556215006 /nfs/dbraw/zinc/21/50/06/556215006.db2.gz RHYAOUCZAQTQJC-KGENOOAVSA-N 0 2 443.415 3.840 40 10 IHCBLN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000008820359 556220471 /nfs/dbraw/zinc/22/04/71/556220471.db2.gz SFPFHCMPTNMNFB-GUSDSWBTSA-N 0 2 441.490 3.697 40 10 IHCBLN CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408800996 556858629 /nfs/dbraw/zinc/85/86/29/556858629.db2.gz QYOGKPBTUKSGQU-LFIBNONCSA-N 0 2 429.270 3.903 40 10 IHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC)c(Cl)c3)C2=O)cc1 ZINC000408816805 556864015 /nfs/dbraw/zinc/86/40/15/556864015.db2.gz ZFHUACKIKSRZKI-LFIBNONCSA-N 0 2 442.855 3.582 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1 ZINC000408901305 556882645 /nfs/dbraw/zinc/88/26/45/556882645.db2.gz XAHXJWRXFGSGLW-WJDWOHSUSA-N 0 2 445.269 3.610 40 10 IHCBLN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000408912335 556886388 /nfs/dbraw/zinc/88/63/88/556886388.db2.gz FGHGKUMDZFTLSP-OVCLIPMQSA-N 0 2 432.835 3.943 40 10 IHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408936921 556895961 /nfs/dbraw/zinc/89/59/61/556895961.db2.gz LILGIKXOWIYWOM-STZFKDTASA-N 0 2 443.415 3.840 40 10 IHCBLN O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000409202685 557001720 /nfs/dbraw/zinc/00/17/20/557001720.db2.gz SUHPILZRFDUFPQ-KGENOOAVSA-N 0 2 443.415 3.840 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc(OC)c2O[C@H](C)CC)C1=O ZINC000409238182 557019870 /nfs/dbraw/zinc/01/98/70/557019870.db2.gz LYPSCVJFJOMTTJ-PWVLXBNSSA-N 0 2 438.480 3.938 40 10 IHCBLN O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000040845897 557231908 /nfs/dbraw/zinc/23/19/08/557231908.db2.gz OPIIMPIUCVBLNP-UHFFFAOYSA-N 0 2 429.388 3.884 40 10 IHCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000107783953 569251247 /nfs/dbraw/zinc/25/12/47/569251247.db2.gz AOCIZGDBNCGBCZ-XYOKQWHBSA-N 0 2 435.263 3.985 40 10 IHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000107828443 569260676 /nfs/dbraw/zinc/26/06/76/569260676.db2.gz SXESKVMNRVLWQR-BOPFTXTBSA-N 0 2 436.811 3.897 40 10 IHCBLN Cc1cccc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])c1 ZINC000035214442 556004605 /nfs/dbraw/zinc/00/46/05/556004605.db2.gz WXTUMQZHESQNQE-RGEXLXHISA-N 0 2 443.415 3.584 40 10 IHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408799826 556857838 /nfs/dbraw/zinc/85/78/38/556857838.db2.gz LQYLHHMLIKDILC-SFQUDFHCSA-N 0 2 429.270 3.904 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(OCC)c3)C2=O)cc1 ZINC000408802887 556859637 /nfs/dbraw/zinc/85/96/37/556859637.db2.gz IVOCOYDCRPDZPI-CPNJWEJPSA-N 0 2 438.480 3.938 40 10 IHCBLN CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000408867206 556873993 /nfs/dbraw/zinc/87/39/93/556873993.db2.gz KDMDGCMVMWJKEI-LCYFTJDESA-N 0 2 432.835 3.943 40 10 IHCBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(OCC)c3)C2=O)cc1 ZINC000408893452 556881823 /nfs/dbraw/zinc/88/18/23/556881823.db2.gz AQDCEESJRTYOLI-RGEXLXHISA-N 0 2 438.480 3.939 40 10 IHCBLN CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C1=O)OCO2 ZINC000409099607 556954717 /nfs/dbraw/zinc/95/47/17/556954717.db2.gz RGRRRNMWIAAWOF-XGICHPGQSA-N 0 2 449.246 3.787 40 10 IHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409204693 557003045 /nfs/dbraw/zinc/00/30/45/557003045.db2.gz JLOKTESFHGQFPD-HRYJJRBTSA-N 0 2 441.915 3.912 40 10 IHCBLN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 ZINC000409394388 557098515 /nfs/dbraw/zinc/09/85/15/557098515.db2.gz ZUYNMJLKKOXSCL-KGENOOAVSA-N 0 2 430.464 3.554 40 10 IHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000014132727 557421598 /nfs/dbraw/zinc/42/15/98/557421598.db2.gz DQYLBVOJZDXCBC-UDWIEESQSA-N 0 2 444.447 3.977 40 10 IHCBLN N#Cc1ccccc1COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000108243821 569260969 /nfs/dbraw/zinc/26/09/69/569260969.db2.gz AKTGDZULZATANO-MOSHPQCFSA-N 0 2 440.415 3.507 40 10 IHCBLN CCc1cc2c(=O)c(Oc3cnn(-c4ccccc4)c3)coc2c(C[NH+]2CCOCC2)c1[O-] ZINC000000632987 555515525 /nfs/dbraw/zinc/51/55/25/555515525.db2.gz RENHCCMVSNGIDR-UHFFFAOYSA-N 0 2 447.491 3.871 40 10 IHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3C)C2=O)c1 ZINC000408537154 555769000 /nfs/dbraw/zinc/76/90/00/555769000.db2.gz ZIKPVPZSTIBAOL-XNTDXEJSSA-N 0 2 428.286 3.953 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc(Cl)c1O ZINC000016688253 556626295 /nfs/dbraw/zinc/62/62/95/556626295.db2.gz CUNDHSIWKTZUJC-MLPAPPSSSA-N 0 2 437.677 3.668 40 10 IHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000408801721 556858957 /nfs/dbraw/zinc/85/89/57/556858957.db2.gz VKDXCCYWXUMRCU-DEDYPNTBSA-N 0 2 443.415 3.840 40 10 IHCBLN CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408802757 556859614 /nfs/dbraw/zinc/85/96/14/556859614.db2.gz GZSRVOCJQDWYJR-MHWRWJLKSA-N 0 2 429.816 3.703 40 10 IHCBLN CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408872853 556875296 /nfs/dbraw/zinc/87/52/96/556875296.db2.gz KCJKQFKLDBVFKF-RAXLEYEMSA-N 0 2 433.233 3.653 40 10 IHCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408935048 556895469 /nfs/dbraw/zinc/89/54/69/556895469.db2.gz CDAUJSMPXHVBKT-CPNJWEJPSA-N 0 2 431.404 3.813 40 10 IHCBLN Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)cc1 ZINC000408940852 556896623 /nfs/dbraw/zinc/89/66/23/556896623.db2.gz VIQRNCKSSLCPTN-HMAPJEAMSA-N 0 2 428.444 3.946 40 10 IHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409250837 557031247 /nfs/dbraw/zinc/03/12/47/557031247.db2.gz YIDVOODMXAMTBB-YBEGLDIGSA-N 0 2 438.237 3.771 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3OC)C2=O)cc1 ZINC000409242083 557032318 /nfs/dbraw/zinc/03/23/18/557032318.db2.gz QCNZTYMDCZQLSA-RCCKNPSSSA-N 0 2 449.507 3.751 40 10 IHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409390437 557095222 /nfs/dbraw/zinc/09/52/22/557095222.db2.gz FLCHIUFYCRQQTG-UVTDQMKNSA-N 0 2 438.783 3.570 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)CC ZINC000033533112 569259291 /nfs/dbraw/zinc/25/92/91/569259291.db2.gz RZCHEOWFTRTMSZ-RQNDZEIBSA-N 0 2 425.441 3.632 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)c(C)c1 ZINC000408532232 569584258 /nfs/dbraw/zinc/58/42/58/569584258.db2.gz PZOSDKPAGMKBBM-UKTHLTGXSA-N 0 2 426.885 4.145 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3Cl)C2=O)cc1 ZINC000408533263 555746324 /nfs/dbraw/zinc/74/63/24/555746324.db2.gz RUKKWYKZWXGHJM-LCYFTJDESA-N 0 2 434.677 3.990 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)CC ZINC000408538178 555776753 /nfs/dbraw/zinc/77/67/53/555776753.db2.gz YYNIEYQCCPNDKV-WJDWOHSUSA-N 0 2 442.855 3.721 40 10 IHCBLN CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408725961 556156178 /nfs/dbraw/zinc/15/61/78/556156178.db2.gz NPCJUWZXOJTKKT-RGEXLXHISA-N 0 2 438.480 3.939 40 10 IHCBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408740132 556211699 /nfs/dbraw/zinc/21/16/99/556211699.db2.gz IQCDIOBNUXDQQE-NTEUORMPSA-N 0 2 445.269 3.523 40 10 IHCBLN CC(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000013627189 556537786 /nfs/dbraw/zinc/53/77/86/556537786.db2.gz ACDGIFVVMOEASV-CJLVFECKSA-N 0 2 447.520 3.991 40 10 IHCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000016249358 556594529 /nfs/dbraw/zinc/59/45/29/556594529.db2.gz GWHCVKYXXPULJD-GDNBJRDFSA-N 0 2 429.263 3.655 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 ZINC000408757990 556630198 /nfs/dbraw/zinc/63/01/98/556630198.db2.gz TYGHOPBJDCYKCU-XKZIYDEJSA-N 0 2 444.491 3.781 40 10 IHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408804189 556860253 /nfs/dbraw/zinc/86/02/53/556860253.db2.gz CYIPAOBSLPDQBT-XNTDXEJSSA-N 0 2 445.269 3.523 40 10 IHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)c1 ZINC000408846544 556868931 /nfs/dbraw/zinc/86/89/31/556868931.db2.gz NXBJVJSBWBCWQZ-XNTDXEJSSA-N 0 2 444.285 3.617 40 10 IHCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408871689 556875012 /nfs/dbraw/zinc/87/50/12/556875012.db2.gz ZFMNAMTYCNLYLU-CXUHLZMHSA-N 0 2 429.270 3.741 40 10 IHCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2O)C1=O ZINC000408891085 556879011 /nfs/dbraw/zinc/87/90/11/556879011.db2.gz LEMATGFSGJQOCQ-XYOKQWHBSA-N 0 2 435.661 3.783 40 10 IHCBLN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 ZINC000409230248 557021985 /nfs/dbraw/zinc/02/19/85/557021985.db2.gz XSHWNMLBHDWJMX-FYJGNVAPSA-N 0 2 430.464 3.554 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000000725143 557116179 /nfs/dbraw/zinc/11/61/79/557116179.db2.gz FYBYWAMHZPDVFE-NTUHNPAUSA-N 0 2 441.203 3.938 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000100947696 557279501 /nfs/dbraw/zinc/27/95/01/557279501.db2.gz RFMRPOWLZRCLSV-NTEUORMPSA-N 0 2 447.278 3.899 40 10 IHCBLN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000059502719 557826739 /nfs/dbraw/zinc/82/67/39/557826739.db2.gz SAISDJYFZKBAKN-FMIVXFBMSA-N 0 2 435.661 3.778 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)CC ZINC000033533110 569259358 /nfs/dbraw/zinc/25/93/58/569259358.db2.gz RZCHEOWFTRTMSZ-FMNVXAMXSA-N 0 2 425.441 3.632 40 10 IHCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1O ZINC000001245880 132240728 /nfs/dbraw/zinc/24/07/28/132240728.db2.gz TYYAZOHZYNVFNK-NTUHNPAUSA-N 0 2 447.241 3.679 40 10 IHCBLN Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)c(C)c1 ZINC000408526134 555715322 /nfs/dbraw/zinc/71/53/22/555715322.db2.gz ACCJSDFPRRBQFP-GZTJUZNOSA-N 0 2 436.537 3.682 40 10 IHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccccc3)C2=O)c1 ZINC000408531432 555732734 /nfs/dbraw/zinc/73/27/34/555732734.db2.gz GVWXNWKUZYUXBY-HKWRFOASSA-N 0 2 426.428 3.881 40 10 IHCBLN Cc1cc(O)ccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408535997 555758089 /nfs/dbraw/zinc/75/80/89/555758089.db2.gz VDCKMIAJVBLGBM-NTEUORMPSA-N 0 2 444.285 3.659 40 10 IHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408535641 555764346 /nfs/dbraw/zinc/76/43/46/555764346.db2.gz ZFEJJYXDNUJWNR-UKTHLTGXSA-N 0 2 447.278 3.899 40 10 IHCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000408549756 555830410 /nfs/dbraw/zinc/83/04/10/555830410.db2.gz YJOPRFKASYTXFV-NTUHNPAUSA-N 0 2 435.263 3.985 40 10 IHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000408771478 556846900 /nfs/dbraw/zinc/84/69/00/556846900.db2.gz HGWBWBFYFDZXNK-NTCAYCPXSA-N 0 2 430.445 3.974 40 10 IHCBLN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000408800974 556858357 /nfs/dbraw/zinc/85/83/57/556858357.db2.gz QPWAELFARXUWTR-LFIBNONCSA-N 0 2 445.269 3.523 40 10 IHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC ZINC000408804260 556860277 /nfs/dbraw/zinc/86/02/77/556860277.db2.gz WOHGKKBLEZFBKN-OQLLNIDSSA-N 0 2 430.844 3.509 40 10 IHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408815427 556863252 /nfs/dbraw/zinc/86/32/52/556863252.db2.gz QFUOMLYNAICOKL-RVDMUPIBSA-N 0 2 429.270 3.904 40 10 IHCBLN CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408865634 556873344 /nfs/dbraw/zinc/87/33/44/556873344.db2.gz DGJYBTYOEOSVIS-LICLKQGHSA-N 0 2 429.270 3.823 40 10 IHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1 ZINC000408883675 556877560 /nfs/dbraw/zinc/87/75/60/556877560.db2.gz RUKYGIPFHUIQIZ-FYJGNVAPSA-N 0 2 445.406 3.991 40 10 IHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408933844 556895268 /nfs/dbraw/zinc/89/52/68/556895268.db2.gz BPQITUOCGQZAJO-ATVHPVEESA-N 0 2 429.270 3.904 40 10 IHCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408948229 556898681 /nfs/dbraw/zinc/89/86/81/556898681.db2.gz FCOFYJHHAQHBLE-AAWHYMEISA-N 0 2 442.855 3.912 40 10 IHCBLN Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000408999373 556913580 /nfs/dbraw/zinc/91/35/80/556913580.db2.gz KQZVFOXWPATIJQ-DEDYPNTBSA-N 0 2 443.507 3.744 40 10 IHCBLN CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C1=O)OCO2 ZINC000409071082 556945387 /nfs/dbraw/zinc/94/53/87/556945387.db2.gz NDRDHMISNUEBLA-IZZDOVSWSA-N 0 2 449.246 3.787 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OC)c(OCC)c2)C1=O ZINC000409226256 557014333 /nfs/dbraw/zinc/01/43/33/557014333.db2.gz MHYXJCFJKMIABU-GXDHUFHOSA-N 0 2 444.871 3.812 40 10 IHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409390454 557095317 /nfs/dbraw/zinc/09/53/17/557095317.db2.gz FMGZKFWJKBGZFM-XNTDXEJSSA-N 0 2 438.783 3.570 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC(C)(C)C ZINC000034835753 569260003 /nfs/dbraw/zinc/26/00/03/569260003.db2.gz WATYSLXIOSSUGO-WJDWOHSUSA-N 0 2 425.441 3.632 40 10 IHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)c1 ZINC000408535370 569584142 /nfs/dbraw/zinc/58/41/42/569584142.db2.gz SLGFTERWDZXNPB-UKTHLTGXSA-N 0 2 426.885 4.145 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)cc1C ZINC000408531509 569584243 /nfs/dbraw/zinc/58/42/43/569584243.db2.gz OHPVIMUSNPNLQS-NTEUORMPSA-N 0 2 426.885 4.145 40 10 IHCBLN CCOC(=O)c1cc(NC=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cl ZINC000408537017 555767567 /nfs/dbraw/zinc/76/75/67/555767567.db2.gz YULUMGUZFQBQAF-GZTJUZNOSA-N 0 2 441.871 3.712 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O ZINC000035104036 555772982 /nfs/dbraw/zinc/77/29/82/555772982.db2.gz KCDYPXJVOREWMM-WQLSENKSSA-N 0 2 437.677 3.668 40 10 IHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3I)C2=O)cc1 ZINC000408550676 555867551 /nfs/dbraw/zinc/86/75/51/555867551.db2.gz IVPPRZKSXLXUEP-RVDMUPIBSA-N 0 2 446.244 3.520 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000408740490 556212612 /nfs/dbraw/zinc/21/26/12/556212612.db2.gz LAIMDRZLWKLZLG-UYRXBGFRSA-N 0 2 447.403 3.920 40 10 IHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000016428001 556606840 /nfs/dbraw/zinc/60/68/40/556606840.db2.gz CEQNDDDQWIVFGV-GHXNOFRVSA-N 0 2 432.186 3.570 40 10 IHCBLN COc1ccc(OC)c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000083312638 556663460 /nfs/dbraw/zinc/66/34/60/556663460.db2.gz MRXXRXLDXFMDBN-XNTDXEJSSA-N 0 2 431.242 3.973 40 10 IHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408759192 556685850 /nfs/dbraw/zinc/68/58/50/556685850.db2.gz ZKNMPSGMTUYFKR-RGVLZGJSSA-N 0 2 443.459 3.798 40 10 IHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl ZINC000408770709 556846748 /nfs/dbraw/zinc/84/67/48/556846748.db2.gz BAIVYIMAYAJYAF-QPEQYQDCSA-N 0 2 435.661 3.778 40 10 IHCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408806529 556858914 /nfs/dbraw/zinc/85/89/14/556858914.db2.gz FCXKGGLPLVPZFP-MHWRWJLKSA-N 0 2 445.269 3.523 40 10 IHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1F ZINC000408953342 556898853 /nfs/dbraw/zinc/89/88/53/556898853.db2.gz PYGUQWLGROMNPA-LICLKQGHSA-N 0 2 447.422 3.628 40 10 IHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C2=O)cc1 ZINC000408983761 556910689 /nfs/dbraw/zinc/91/06/89/556910689.db2.gz HNJBSHSBZRMLED-WJDWOHSUSA-N 0 2 442.313 3.744 40 10 IHCBLN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])c(O)cc1O ZINC000409030514 556926974 /nfs/dbraw/zinc/92/69/74/556926974.db2.gz DRDKKWBBGZHQET-FARCUNLSSA-N 0 2 429.257 3.508 40 10 IHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(OC)c(N3CCCC3)cc2OC)C1=O ZINC000409105838 556958614 /nfs/dbraw/zinc/95/86/14/556958614.db2.gz LEGSCVTZQFHFDF-QGOAFFKASA-N 0 2 449.507 3.533 40 10 IHCBLN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000409142199 556972847 /nfs/dbraw/zinc/97/28/47/556972847.db2.gz SBBLAPKRFDWQET-OVCLIPMQSA-N 0 2 449.897 3.808 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Br)o3)C2=O)cc1OC ZINC000409211312 557005916 /nfs/dbraw/zinc/00/59/16/557005916.db2.gz MVKYKUNNCHRUMX-JLHYYAGUSA-N 0 2 449.257 3.506 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1OCC ZINC000409213677 557008165 /nfs/dbraw/zinc/00/81/65/557008165.db2.gz UWHHLLOCSXNVEH-XMHGGMMESA-N 0 2 437.496 3.607 40 10 IHCBLN O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000409216795 557011758 /nfs/dbraw/zinc/01/17/58/557011758.db2.gz LNVXARWXRBWXMK-UDWIEESQSA-N 0 2 442.427 3.661 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cc(C)ccn3)c2C)C1=O ZINC000409237521 557019131 /nfs/dbraw/zinc/01/91/31/557019131.db2.gz UZPOKFMLUFOHPN-XMHGGMMESA-N 0 2 444.491 3.863 40 10 IHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000409392148 557096416 /nfs/dbraw/zinc/09/64/16/557096416.db2.gz LMYYGVNSKFYHOC-DEDYPNTBSA-N 0 2 440.434 3.890 40 10 IHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3I)C2=O)c1C ZINC000107707392 569250967 /nfs/dbraw/zinc/25/09/67/569250967.db2.gz JYMICURZMALQOO-GXDHUFHOSA-N 0 2 446.244 3.574 40 10 IHCBLN CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000034909863 569260055 /nfs/dbraw/zinc/26/00/55/569260055.db2.gz MYYHCNVLYOWRAP-ZENNRRHLSA-N 0 2 449.290 3.785 40 10 IHCBLN Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000109637207 569261096 /nfs/dbraw/zinc/26/10/96/569261096.db2.gz CYRPKDNUEKZROW-ZHZULCJRSA-N 0 2 443.415 3.584 40 10 IHCBLN CCc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=O)N(c2cccc3ccccc32)C1=O ZINC000408527870 555718161 /nfs/dbraw/zinc/71/81/61/555718161.db2.gz GQDJUDPNUNMHCZ-QGOAFFKASA-N 0 2 430.420 3.889 40 10 IHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl ZINC000408805168 556860385 /nfs/dbraw/zinc/86/03/85/556860385.db2.gz JBWZFZMZYRNUBH-LFIBNONCSA-N 0 2 442.855 3.582 40 10 IHCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408870695 556874601 /nfs/dbraw/zinc/87/46/01/556874601.db2.gz WLFWKDNJAKYVFN-CXUHLZMHSA-N 0 2 429.270 3.741 40 10 IHCBLN Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409002310 556914737 /nfs/dbraw/zinc/91/47/37/556914737.db2.gz SXOUYYMQWUVQDZ-FYJGNVAPSA-N 0 2 443.507 3.744 40 10 IHCBLN CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)OCO2 ZINC000409099267 556954344 /nfs/dbraw/zinc/95/43/44/556954344.db2.gz KQQCKPAWJQJICA-XGICHPGQSA-N 0 2 449.246 3.787 40 10 IHCBLN CCCCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408529925 555721244 /nfs/dbraw/zinc/72/12/44/555721244.db2.gz IGPIYSOFTNMFLX-XSFVSMFZSA-N 0 2 435.480 3.839 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3C)C2=O)cc1C ZINC000408530510 555727162 /nfs/dbraw/zinc/72/71/62/555727162.db2.gz IZYYLFJJDWUXCB-MHWRWJLKSA-N 0 2 428.286 3.953 40 10 IHCBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408742520 556216134 /nfs/dbraw/zinc/21/61/34/556216134.db2.gz PMMJMAJGPMOFEC-KGENOOAVSA-N 0 2 443.459 3.547 40 10 IHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccccc1Cc1cccc(F)c1 ZINC000408877811 556877133 /nfs/dbraw/zinc/87/71/33/556877133.db2.gz XBXVLBMEBARMGB-FYJGNVAPSA-N 0 2 445.406 3.991 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccccc4)c3)C2=O)cc1 ZINC000408938662 556897107 /nfs/dbraw/zinc/89/71/07/556897107.db2.gz QWUCICJLQPYMNH-JCMHNJIXSA-N 0 2 428.444 3.941 40 10 IHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 ZINC000408992798 556911193 /nfs/dbraw/zinc/91/11/93/556911193.db2.gz SULDHLJNDFSUTK-FOWTUZBSSA-N 0 2 446.444 3.807 40 10 IHCBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000409091501 556951836 /nfs/dbraw/zinc/95/18/36/556951836.db2.gz UVMYCXXTHFHMNQ-LDADJPATSA-N 0 2 449.507 3.587 40 10 IHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000409221482 557016811 /nfs/dbraw/zinc/01/68/11/557016811.db2.gz QWUFKYGJQZXJNP-UDWIEESQSA-N 0 2 440.434 3.890 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(OCC)cc2Cl)C1=O ZINC000409235220 557026097 /nfs/dbraw/zinc/02/60/97/557026097.db2.gz YZBXIJSVOKBOQD-GXDHUFHOSA-N 0 2 444.871 3.812 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccccn3)c2C)C1=O ZINC000409243564 557033485 /nfs/dbraw/zinc/03/34/85/557033485.db2.gz SNRGBBIHKNYCOV-NBVRZTHBSA-N 0 2 430.464 3.554 40 10 IHCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br ZINC000409255704 557034749 /nfs/dbraw/zinc/03/47/49/557034749.db2.gz ZLGQWIHMKMGBTP-DGGAMASNSA-N 0 2 444.285 3.688 40 10 IHCBLN CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 ZINC000208447852 557087624 /nfs/dbraw/zinc/08/76/24/557087624.db2.gz BMCKPHFLTPYMPK-VCHYOVAHSA-N 0 2 445.475 3.713 40 10 IHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC(C)C ZINC000409394264 557098487 /nfs/dbraw/zinc/09/84/87/557098487.db2.gz XXQGWUFDPSDMJA-OQLLNIDSSA-N 0 2 429.860 3.587 40 10 IHCBLN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)o1 ZINC000113835503 557307591 /nfs/dbraw/zinc/30/75/91/557307591.db2.gz RDOYDWBZWLWTEC-LDADJPATSA-N 0 2 447.403 3.838 40 10 IHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Br ZINC000014132805 557421569 /nfs/dbraw/zinc/42/15/69/557421569.db2.gz RCAKTVZAFAEULU-GXDHUFHOSA-N 0 2 429.270 3.823 40 10 IHCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 ZINC000009259599 132311471 /nfs/dbraw/zinc/31/14/71/132311471.db2.gz RTSUGJRFLFDVKI-LICLKQGHSA-N 0 2 427.888 3.867 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 ZINC000408785696 556855857 /nfs/dbraw/zinc/85/58/57/556855857.db2.gz YGQYWBGCFFTOFN-XDHOZWIPSA-N 0 2 444.403 3.757 40 10 IHCBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408809166 556861817 /nfs/dbraw/zinc/86/18/17/556861817.db2.gz QVVQASFRRDUHPH-MHWRWJLKSA-N 0 2 444.871 3.900 40 10 IHCBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Br ZINC000408866405 556873571 /nfs/dbraw/zinc/87/35/71/556873571.db2.gz HFDCEQBDHQKRSU-XFXZXTDPSA-N 0 2 433.233 3.653 40 10 IHCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408908379 556886785 /nfs/dbraw/zinc/88/67/85/556886785.db2.gz BZPZLHSAYSEDSF-JAIQZWGSSA-N 0 2 448.410 3.808 40 10 IHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc12 ZINC000408955979 556900065 /nfs/dbraw/zinc/90/00/65/556900065.db2.gz VKYDESPSHDKQCO-WOJGMQOQSA-N 0 2 430.416 3.634 40 10 IHCBLN COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409041139 556928147 /nfs/dbraw/zinc/92/81/47/556928147.db2.gz IMVRWTMZSYIMPX-NTUHNPAUSA-N 0 2 436.207 3.577 40 10 IHCBLN COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409048589 556931819 /nfs/dbraw/zinc/93/18/19/556931819.db2.gz SKIRBSZMCOWSOZ-WUXMJOGZSA-N 0 2 436.207 3.577 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409244708 557026704 /nfs/dbraw/zinc/02/67/04/557026704.db2.gz HPEVJXREYWDNRM-LGMDPLHJSA-N 0 2 447.403 3.920 40 10 IHCBLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000223311280 557457933 /nfs/dbraw/zinc/45/79/33/557457933.db2.gz HPWTWKZNOGUGJC-UHFFFAOYSA-N 0 2 435.958 3.943 40 10 IHCBLN Cc1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])c1 ZINC000033732729 569259718 /nfs/dbraw/zinc/25/97/18/569259718.db2.gz BIFAVFVJQVRZTM-MOSHPQCFSA-N 0 2 429.432 3.944 40 10 IHCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000008780904 569290496 /nfs/dbraw/zinc/29/04/96/569290496.db2.gz UMQFWOVJBXSSJV-MHWRWJLKSA-N 0 2 438.281 3.916 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408741803 556215272 /nfs/dbraw/zinc/21/52/72/556215272.db2.gz SATVEJAKXAIQCX-PXLXIMEGSA-N 0 2 428.444 3.941 40 10 IHCBLN Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)c1 ZINC000408799943 556857820 /nfs/dbraw/zinc/85/78/20/556857820.db2.gz JPGMWPBISHCHIY-HYARGMPZSA-N 0 2 428.444 3.946 40 10 IHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 ZINC000408815629 556863202 /nfs/dbraw/zinc/86/32/02/556863202.db2.gz XLHIAEVMMIVLEP-MHWRWJLKSA-N 0 2 442.855 3.580 40 10 IHCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000408852522 556869694 /nfs/dbraw/zinc/86/96/94/556869694.db2.gz GZDBRJRGZYNTDV-QGOAFFKASA-N 0 2 436.265 3.906 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(Cc2ccccc2F)c1 ZINC000408866667 556873624 /nfs/dbraw/zinc/87/36/24/556873624.db2.gz HTHUBJPCBXSVSC-KGENOOAVSA-N 0 2 446.434 3.797 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OC ZINC000408869452 556874519 /nfs/dbraw/zinc/87/45/19/556874519.db2.gz SEJOSKUYOJGKMG-GDNBJRDFSA-N 0 2 428.872 3.976 40 10 IHCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408878110 556877193 /nfs/dbraw/zinc/87/71/93/556877193.db2.gz ZUXSOHUISBXBBR-CXUHLZMHSA-N 0 2 429.270 3.741 40 10 IHCBLN CCOc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 ZINC000408880704 556878173 /nfs/dbraw/zinc/87/81/73/556878173.db2.gz GWSOIZDUKIDZMF-ZROIWOOFSA-N 0 2 433.233 3.653 40 10 IHCBLN CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1C(C)C ZINC000408950403 556898074 /nfs/dbraw/zinc/89/80/74/556898074.db2.gz JVURIGJYWXYPFM-VCHYOVAHSA-N 0 2 436.464 3.912 40 10 IHCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c1C ZINC000409108967 556959947 /nfs/dbraw/zinc/95/99/47/556959947.db2.gz YZHNIQZXRFLVLR-MHWRWJLKSA-N 0 2 430.302 3.862 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409250048 557030444 /nfs/dbraw/zinc/03/04/44/557030444.db2.gz MEGDBGILBOWHAZ-SSZFMOIBSA-N 0 2 447.403 3.920 40 10 IHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000409251709 557036954 /nfs/dbraw/zinc/03/69/54/557036954.db2.gz VUSQQLTZOSENGC-MHWRWJLKSA-N 0 2 438.237 3.771 40 10 IHCBLN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc([N+](=O)[O-])ccc1C ZINC000112292887 557239303 /nfs/dbraw/zinc/23/93/03/557239303.db2.gz ZFXCQGYJLFFHHG-STZFKDTASA-N 0 2 438.440 3.564 40 10 IHCBLN COC(=O)Cc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C ZINC000112292887 557239306 /nfs/dbraw/zinc/23/93/06/557239306.db2.gz ZFXCQGYJLFFHHG-STZFKDTASA-N 0 2 438.440 3.564 40 10 IHCBLN CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000102881716 557309585 /nfs/dbraw/zinc/30/95/85/557309585.db2.gz MFTLCJKAKABOPQ-QGOAFFKASA-N 0 2 439.443 3.898 40 10 IHCBLN CCCC1=NN(c2ccc(F)cc2)C(=O)C1C=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000102881716 557309588 /nfs/dbraw/zinc/30/95/88/557309588.db2.gz MFTLCJKAKABOPQ-QGOAFFKASA-N 0 2 439.443 3.898 40 10 IHCBLN CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)C(=O)N(c2ccccc2)C1=O ZINC000059138909 557816473 /nfs/dbraw/zinc/81/64/73/557816473.db2.gz NLINYHIFAQBTKY-SFQUDFHCSA-N 0 2 433.376 3.569 40 10 IHCBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000034696598 569259933 /nfs/dbraw/zinc/25/99/33/569259933.db2.gz FRKZCIOZJSYAHM-ZROIWOOFSA-N 0 2 431.673 3.576 40 10 IHCBLN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Cl)c(O)c(Br)c1 ZINC000038177617 569260191 /nfs/dbraw/zinc/26/01/91/569260191.db2.gz VCOMBLGOEUJFDJ-ONNFQVAWSA-N 0 2 425.622 3.903 40 10 IHCBLN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408528991 555722251 /nfs/dbraw/zinc/72/22/51/555722251.db2.gz GPSNIGQOQNCIEO-DEDYPNTBSA-N 0 2 443.507 3.993 40 10 IHCBLN COc1ccc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000016226534 556592704 /nfs/dbraw/zinc/59/27/04/556592704.db2.gz BVMSVNFEUJFVHF-NTUHNPAUSA-N 0 2 446.213 3.873 40 10 IHCBLN O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 ZINC000016431454 556607520 /nfs/dbraw/zinc/60/75/20/556607520.db2.gz QIVISPXZKSCYQY-SXGWCWSVSA-N 0 2 438.798 3.871 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)cc1 ZINC000408758185 556846294 /nfs/dbraw/zinc/84/62/94/556846294.db2.gz WOKIYTSIOCBDBQ-BKUYFWCQSA-N 0 2 444.491 3.781 40 10 IHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC ZINC000408805780 556860774 /nfs/dbraw/zinc/86/07/74/556860774.db2.gz LNWORSBMRASQKD-NTEUORMPSA-N 0 2 445.269 3.523 40 10 IHCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)c(OC)cc1Cl ZINC000408836060 556866942 /nfs/dbraw/zinc/86/69/42/556866942.db2.gz PQNHWUXHIGZWRK-NTEUORMPSA-N 0 2 444.871 3.811 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)cc1 ZINC000408845100 556868668 /nfs/dbraw/zinc/86/86/68/556868668.db2.gz JZMRNXUPDJIFPG-XNTDXEJSSA-N 0 2 444.285 3.617 40 10 IHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)cc(OC)c2)C1=O ZINC000408879233 556876146 /nfs/dbraw/zinc/87/61/46/556876146.db2.gz BLTDIKZRPFQYKE-YBEGLDIGSA-N 0 2 429.270 3.687 40 10 IHCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408947213 556898381 /nfs/dbraw/zinc/89/83/81/556898381.db2.gz BGJORDDETSSPDG-LDADJPATSA-N 0 2 430.416 3.634 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c(OCC)c1 ZINC000408961427 556900926 /nfs/dbraw/zinc/90/09/26/556900926.db2.gz SUOGJRJJASYOAC-HMMYKYKNSA-N 0 2 449.507 3.751 40 10 IHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000409393950 557098181 /nfs/dbraw/zinc/09/81/81/557098181.db2.gz TZYJCEUTTZSOPE-SFQUDFHCSA-N 0 2 426.354 3.558 40 10 IHCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br ZINC000409389448 557100672 /nfs/dbraw/zinc/10/06/72/557100672.db2.gz BBMWMGZKVVAJEF-XBUHWIKASA-N 0 2 444.285 3.688 40 10 IHCBLN CCOC(=O)c1ccc(N=C(C)c2c(CC(=O)OC)[nH]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000112292126 557239278 /nfs/dbraw/zinc/23/92/78/557239278.db2.gz ZTLKADJIZMOROF-STZFKDTASA-N 0 2 439.443 3.654 40 10 IHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000408531444 555732468 /nfs/dbraw/zinc/73/24/68/555732468.db2.gz KNRQMVQHWJAGRP-MHWRWJLKSA-N 0 2 426.860 3.554 40 10 IHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408532332 555741422 /nfs/dbraw/zinc/74/14/22/555741422.db2.gz MIXUOBWNWWRQDT-JLHYYAGUSA-N 0 2 447.278 3.844 40 10 IHCBLN Cc1ccc(C)c(NC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408535359 555762309 /nfs/dbraw/zinc/76/23/09/555762309.db2.gz SLBQGCUICWRADT-XNTDXEJSSA-N 0 2 428.286 3.953 40 10 IHCBLN Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000035225830 556021486 /nfs/dbraw/zinc/02/14/86/556021486.db2.gz GGLITICOLZBOMO-CXUHLZMHSA-N 0 2 437.427 3.970 40 10 IHCBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408800114 556858115 /nfs/dbraw/zinc/85/81/15/556858115.db2.gz KQEMFAVCJGSVLM-RCCKNPSSSA-N 0 2 428.444 3.941 40 10 IHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000408802878 556859727 /nfs/dbraw/zinc/85/97/27/556859727.db2.gz IRERSWCPLXMEGR-XNTDXEJSSA-N 0 2 445.269 3.610 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000408804415 556860301 /nfs/dbraw/zinc/86/03/01/556860301.db2.gz FSELDOXZLIHKAW-FYJGNVAPSA-N 0 2 444.443 3.646 40 10 IHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3c(OC)ccc4ccccc43)C2=O)cc1 ZINC000408817328 556864170 /nfs/dbraw/zinc/86/41/70/556864170.db2.gz SYSTUSYKSFWQRN-XSFVSMFZSA-N 0 2 444.443 3.692 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC(C)C)C2=O)cc1 ZINC000408893411 556881833 /nfs/dbraw/zinc/88/18/33/556881833.db2.gz AEQXTRZBSRPOOC-MOSHPQCFSA-N 0 2 438.480 3.938 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1O ZINC000408901290 556882495 /nfs/dbraw/zinc/88/24/95/556882495.db2.gz WVWKWPAIKRRTGV-ZROIWOOFSA-N 0 2 445.269 3.528 40 10 IHCBLN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1 ZINC000408948749 556898720 /nfs/dbraw/zinc/89/87/20/556898720.db2.gz GGUHFMDVEXIHAP-WOJGMQOQSA-N 0 2 444.399 3.544 40 10 IHCBLN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000409020008 556924328 /nfs/dbraw/zinc/92/43/28/556924328.db2.gz LMDYRVUSUDNART-RQZCQDPDSA-N 0 2 449.850 3.834 40 10 IHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1 ZINC000409102398 556956390 /nfs/dbraw/zinc/95/63/90/556956390.db2.gz ZHRTVGXDWILTSZ-CPNJWEJPSA-N 0 2 449.507 3.533 40 10 IHCBLN CC(C)OC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000033751465 569259802 /nfs/dbraw/zinc/25/98/02/569259802.db2.gz UJXLGXHBXSBHEX-NVNXTCNLSA-N 0 2 449.290 3.785 40 10 IHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)c1 ZINC000009260126 132311408 /nfs/dbraw/zinc/31/14/08/132311408.db2.gz KPSTXVZYZLEHIJ-FRKPEAEDSA-N 0 2 440.253 3.605 40 10 IHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2ccccc2)C1=O ZINC000408535929 555757151 /nfs/dbraw/zinc/75/71/51/555757151.db2.gz PDJOARQHVYAODT-CYVLTUHYSA-N 0 2 426.428 3.881 40 10 IHCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(F)cc3F)C2=O)ccc1Br ZINC000408535630 555764466 /nfs/dbraw/zinc/76/44/66/555764466.db2.gz UBUMMTPVHCOXOQ-XYOKQWHBSA-N 0 2 436.212 3.615 40 10 IHCBLN CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)C(=O)NC2=S)c1 ZINC000408743774 556224293 /nfs/dbraw/zinc/22/42/93/556224293.db2.gz YBWMJUYSYABYSU-AUWJEWJLSA-N 0 2 437.304 3.929 40 10 IHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OC)C1=O ZINC000408865019 556873268 /nfs/dbraw/zinc/87/32/68/556873268.db2.gz BCVBBZRKSSRHFS-PTNGSMBKSA-N 0 2 429.270 3.687 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC)c(OCC)c3)C2=O)cc1 ZINC000408897974 556883379 /nfs/dbraw/zinc/88/33/79/556883379.db2.gz KASJWAYMJHHSKP-RGEXLXHISA-N 0 2 438.480 3.939 40 10 IHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000408933533 556894987 /nfs/dbraw/zinc/89/49/87/556894987.db2.gz AQDTYUCHPIJBQB-BKUYFWCQSA-N 0 2 432.407 3.777 40 10 IHCBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000408961317 556900822 /nfs/dbraw/zinc/90/08/22/556900822.db2.gz RKEBTELLEWQUKF-LDADJPATSA-N 0 2 440.297 3.716 40 10 IHCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccn4)c3C)C2=O)c1 ZINC000409224453 557013449 /nfs/dbraw/zinc/01/34/49/557013449.db2.gz HRWPLHOGSUTBAT-DEDYPNTBSA-N 0 2 430.464 3.554 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cccnc3)c2C)C1=O ZINC000409237999 557019455 /nfs/dbraw/zinc/01/94/55/557019455.db2.gz JUOZBZQPARUUHV-CPNJWEJPSA-N 0 2 430.464 3.554 40 10 IHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000409251792 557036666 /nfs/dbraw/zinc/03/66/66/557036666.db2.gz QHAAQTBZWBZFQW-GZTJUZNOSA-N 0 2 426.354 3.558 40 10 IHCBLN Cc1ccc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 ZINC000033375493 569259227 /nfs/dbraw/zinc/25/92/27/569259227.db2.gz OAKNYGQASMKMDX-RGEXLXHISA-N 0 2 443.415 3.584 40 10 IHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000009265369 132311944 /nfs/dbraw/zinc/31/19/44/132311944.db2.gz PHYBDYRFYSVCAG-MOSHPQCFSA-N 0 2 444.447 3.977 40 10 IHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000408532904 555745295 /nfs/dbraw/zinc/74/52/95/555745295.db2.gz RLPAYZBTSVAUSW-NTEUORMPSA-N 0 2 428.832 3.752 40 10 IHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccccc3)C2=O)c1 ZINC000408536091 555758654 /nfs/dbraw/zinc/75/86/54/555758654.db2.gz PQGABRAXWOHSRW-ZHZULCJRSA-N 0 2 442.427 3.581 40 10 IHCBLN O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000408772947 556848014 /nfs/dbraw/zinc/84/80/14/556848014.db2.gz JDSYDCCXHFFILN-KPKJPENVSA-N 0 2 439.733 3.933 40 10 IHCBLN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408816160 556863669 /nfs/dbraw/zinc/86/36/69/556863669.db2.gz SRAXYRXYCTWXGP-XNTDXEJSSA-N 0 2 429.270 3.741 40 10 IHCBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408818617 556864568 /nfs/dbraw/zinc/86/45/68/556864568.db2.gz XRUWIVFEUDIQHP-MHWRWJLKSA-N 0 2 444.871 3.812 40 10 IHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408813622 556865103 /nfs/dbraw/zinc/86/51/03/556865103.db2.gz UUUXVFAHYQQETQ-DEDYPNTBSA-N 0 2 432.407 3.777 40 10 IHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c1 ZINC000408851314 556870866 /nfs/dbraw/zinc/87/08/66/556870866.db2.gz XOKZJTRREFZLEX-HMMYKYKNSA-N 0 2 449.507 3.751 40 10 IHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OC(C)C ZINC000408882142 556878445 /nfs/dbraw/zinc/87/84/45/556878445.db2.gz LJDPMSMVWNRXQU-JYRVWZFOSA-N 0 2 432.835 3.941 40 10 IHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409201527 557000552 /nfs/dbraw/zinc/00/05/52/557000552.db2.gz LXPRYUWPLNGXBR-UNOMPAQXSA-N 0 2 445.431 3.644 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)cc1 ZINC000208446493 557087558 /nfs/dbraw/zinc/08/75/58/557087558.db2.gz PXCLDTCABSKAOH-DEDYPNTBSA-N 0 2 431.492 3.993 40 10 IHCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC ZINC000059104304 557814068 /nfs/dbraw/zinc/81/40/68/557814068.db2.gz WTHJRSCPKNYGBI-LFYBBSHMSA-N 0 2 430.800 3.593 40 10 IHCBLN Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000059858844 557827633 /nfs/dbraw/zinc/82/76/33/557827633.db2.gz GPNKSEVRLLARIZ-UNOMPAQXSA-N 0 2 449.898 3.780 40 10 IHCBLN CC(C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000034881931 555553124 /nfs/dbraw/zinc/55/31/24/555553124.db2.gz SZCQMWIZVKCVQT-ZSOIEALJSA-N 0 2 446.257 3.606 40 10 IHCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cccc(Cl)c3)C2=O)ccc1Br ZINC000408535028 555742311 /nfs/dbraw/zinc/74/23/11/555742311.db2.gz SCLQCCQLKUPVRO-NTEUORMPSA-N 0 2 434.677 3.990 40 10 IHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1C ZINC000015013111 556484200 /nfs/dbraw/zinc/48/42/00/556484200.db2.gz CDQCRRYTRSDHJC-XFXZXTDPSA-N 0 2 435.263 3.985 40 10 IHCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000032193778 556537247 /nfs/dbraw/zinc/53/72/47/556537247.db2.gz ITCHEYBSKABSEZ-QGOAFFKASA-N 0 2 440.297 3.716 40 10 IHCBLN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)o1 ZINC000408786440 556856356 /nfs/dbraw/zinc/85/63/56/556856356.db2.gz PYSNVNBBBKYILT-LDADJPATSA-N 0 2 447.403 3.838 40 10 IHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408858197 556871146 /nfs/dbraw/zinc/87/11/46/556871146.db2.gz XOKSLSUBMDMZEO-NTEUORMPSA-N 0 2 433.233 3.653 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(I)cc3)C2=O)cc1C ZINC000408854087 556871675 /nfs/dbraw/zinc/87/16/75/556871675.db2.gz XGERHOZBJYXCDC-MHWRWJLKSA-N 0 2 446.244 3.574 40 10 IHCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408871420 556874998 /nfs/dbraw/zinc/87/49/98/556874998.db2.gz ZMHVWVGEGVMGEW-RQZCQDPDSA-N 0 2 429.270 3.741 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 ZINC000408884122 556877755 /nfs/dbraw/zinc/87/77/55/556877755.db2.gz WATOVCICEJVWIN-OQLLNIDSSA-N 0 2 430.844 3.509 40 10 IHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408902546 556885269 /nfs/dbraw/zinc/88/52/69/556885269.db2.gz JNQFOJWLEFQDKO-WOJGMQOQSA-N 0 2 448.366 3.588 40 10 IHCBLN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1 ZINC000408912516 556886297 /nfs/dbraw/zinc/88/62/97/556886297.db2.gz HYIZVGYZRWKYSA-WQRHYEAKSA-N 0 2 435.367 3.969 40 10 IHCBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000409083524 556948127 /nfs/dbraw/zinc/94/81/27/556948127.db2.gz BIFUNGVNVLARNT-XDHOZWIPSA-N 0 2 449.507 3.587 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1OC ZINC000409215621 557010441 /nfs/dbraw/zinc/01/04/41/557010441.db2.gz CLFSGEHKFRFHPY-HMMYKYKNSA-N 0 2 449.507 3.751 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OCC)c(OC)cc2Cl)C1=O ZINC000409229694 557015902 /nfs/dbraw/zinc/01/59/02/557015902.db2.gz SYLTUTIGIBGUKF-GXDHUFHOSA-N 0 2 444.871 3.812 40 10 IHCBLN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc([N+](=O)[O-])ccc1C ZINC000112289792 557238494 /nfs/dbraw/zinc/23/84/94/557238494.db2.gz BMCZNEWPXZNTNJ-MOSHPQCFSA-N 0 2 426.404 3.694 40 10 IHCBLN COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C ZINC000112289792 557238496 /nfs/dbraw/zinc/23/84/96/557238496.db2.gz BMCZNEWPXZNTNJ-MOSHPQCFSA-N 0 2 426.404 3.694 40 10 IHCBLN CC1=NN(c2ccc(I)cc2)C(=O)C1C=Nc1ccccc1[N+](=O)[O-] ZINC000101113081 557332980 /nfs/dbraw/zinc/33/29/80/557332980.db2.gz PZFXJPIPYGYKDN-GXDHUFHOSA-N 0 2 448.220 3.918 40 10 IHCBLN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000059336667 557822228 /nfs/dbraw/zinc/82/22/28/557822228.db2.gz MQRDFOVYKDEWHB-OQLLNIDSSA-N 0 2 432.835 3.943 40 10 IHCBLN CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000002930402 535485944 /nfs/dbraw/zinc/48/59/44/535485944.db2.gz XRPUJYNOOGTDCT-PTNGSMBKSA-N 0 2 429.270 3.823 40 10 IHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408743247 556216098 /nfs/dbraw/zinc/21/60/98/556216098.db2.gz ZRRUAEQORKCQEX-XSFVSMFZSA-N 0 2 428.444 3.941 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1Cl ZINC000032125501 556535197 /nfs/dbraw/zinc/53/51/97/556535197.db2.gz DADGNZXHIQRJPN-QPEQYQDCSA-N 0 2 435.661 3.783 40 10 IHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(N3CCCC3)o2)C1=O ZINC000408858622 556871426 /nfs/dbraw/zinc/87/14/26/556871426.db2.gz QXLPQDGKVSFDRX-GXDHUFHOSA-N 0 2 444.285 3.617 40 10 IHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1 ZINC000408875704 556876283 /nfs/dbraw/zinc/87/62/83/556876283.db2.gz LJXUMZUROJWFFV-DEDYPNTBSA-N 0 2 445.406 3.991 40 10 IHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(Br)c2)C1=O ZINC000408880681 556878214 /nfs/dbraw/zinc/87/82/14/556878214.db2.gz HWSAXBUUOPOMTR-WUXMJOGZSA-N 0 2 435.661 3.783 40 10 IHCBLN COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)o2)c1 ZINC000408913023 556887490 /nfs/dbraw/zinc/88/74/90/556887490.db2.gz JQSGGSIIJBHPFQ-XDHOZWIPSA-N 0 2 448.406 3.847 40 10 IHCBLN COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409044220 556930084 /nfs/dbraw/zinc/93/00/84/556930084.db2.gz ULYDQMHJFYQBQA-LFYBBSHMSA-N 0 2 436.207 3.577 40 10 IHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409240490 557021585 /nfs/dbraw/zinc/02/15/85/557021585.db2.gz KWRKLUZKJDBUMO-OQLLNIDSSA-N 0 2 438.783 3.570 40 10 IHCBLN COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409233998 557025203 /nfs/dbraw/zinc/02/52/03/557025203.db2.gz VIUCOIRWDAJEOM-SFQUDFHCSA-N 0 2 439.899 3.924 40 10 IHCBLN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409234181 557025646 /nfs/dbraw/zinc/02/56/46/557025646.db2.gz MYVWIIBPRFNEEH-KGENOOAVSA-N 0 2 433.508 3.969 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCC3)cc2OC)C1=O ZINC000409248345 557029428 /nfs/dbraw/zinc/02/94/28/557029428.db2.gz QASNIDVFOSJZGK-XDJHFCHBSA-N 0 2 449.507 3.751 40 10 IHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCC3)cc2OC)C1=O ZINC000409241466 557031541 /nfs/dbraw/zinc/03/15/41/557031541.db2.gz NMVIUAGQLWVOQZ-HMMYKYKNSA-N 0 2 433.508 3.914 40 10 IHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409391103 557095794 /nfs/dbraw/zinc/09/57/94/557095794.db2.gz HDETYKTWELGTRA-XNTDXEJSSA-N 0 2 438.783 3.570 40 10 IHCBLN CC(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000108945305 569260965 /nfs/dbraw/zinc/26/09/65/569260965.db2.gz VLONLQVOKSCGIO-DHDCSXOGSA-N 0 2 446.257 3.606 40 10 IHCBLN CCCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000408529065 555722580 /nfs/dbraw/zinc/72/25/80/555722580.db2.gz GVPHSTNOMVRYBE-HMMYKYKNSA-N 0 2 443.459 3.985 40 10 IHCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2ccccc2)C1=O ZINC000408538052 555775312 /nfs/dbraw/zinc/77/53/12/555775312.db2.gz YSKNMVSWSFNEHB-SDXDJHTJSA-N 0 2 442.427 3.581 40 10 IHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2I)C1=O ZINC000408551961 555878736 /nfs/dbraw/zinc/87/87/36/555878736.db2.gz PTKRSNLJQMMFMU-SDNWHVSQSA-N 0 2 446.244 3.520 40 10 IHCBLN CCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000016692883 556627911 /nfs/dbraw/zinc/62/79/11/556627911.db2.gz MNKRMYCFCHCGNT-YBEGLDIGSA-N 0 2 425.397 3.899 40 10 IHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)cc3O)C2=O)c1 ZINC000083308389 556663147 /nfs/dbraw/zinc/66/31/47/556663147.db2.gz AYZCXIVJNICTBM-AWNIVKPZSA-N 0 2 431.242 3.984 40 10 IHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408798456 556857609 /nfs/dbraw/zinc/85/76/09/556857609.db2.gz IJQYWXLJXZWNMH-FYJGNVAPSA-N 0 2 432.407 3.777 40 10 IHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Br ZINC000408808378 556861364 /nfs/dbraw/zinc/86/13/64/556861364.db2.gz FWBIZWKAHWTKSZ-XNTDXEJSSA-N 0 2 445.269 3.523 40 10 IHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC ZINC000408815581 556863151 /nfs/dbraw/zinc/86/31/51/556863151.db2.gz RUUMDLUSWMWGKQ-KPKJPENVSA-N 0 2 435.263 3.985 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(OC)c3)C2=O)cc1 ZINC000408864868 556873022 /nfs/dbraw/zinc/87/30/22/556873022.db2.gz ASYSXFNZFLSGRG-LICLKQGHSA-N 0 2 445.269 3.523 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408893533 556879911 /nfs/dbraw/zinc/87/99/11/556879911.db2.gz AZALCUGYFUQIRK-UYRXBGFRSA-N 0 2 438.480 3.938 40 10 IHCBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 ZINC000408900728 556882381 /nfs/dbraw/zinc/88/23/81/556882381.db2.gz UFQNABCYKJNWIT-YBEGLDIGSA-N 0 2 444.871 3.900 40 10 IHCBLN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)o2)cc1 ZINC000408910227 556887730 /nfs/dbraw/zinc/88/77/30/556887730.db2.gz JTCSNGORBLPOMY-LDADJPATSA-N 0 2 434.379 3.539 40 10 IHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000408933923 556895284 /nfs/dbraw/zinc/89/52/84/556895284.db2.gz CEJRREIJNTXSEV-BKUYFWCQSA-N 0 2 443.415 3.840 40 10 IHCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000408960204 556900052 /nfs/dbraw/zinc/90/00/52/556900052.db2.gz DNBWDUOROQVNKR-PVZSTHCMSA-N 0 2 442.225 3.580 40 10 IHCBLN COC(=O)c1cc(OC)c(OC)cc1N=C(C)C1C(C)=NN(c2ccc(OC)cc2)C1=O ZINC000112292359 557239254 /nfs/dbraw/zinc/23/92/54/557239254.db2.gz DHHXYYCXYLSANO-BKUYFWCQSA-N 0 2 439.468 3.608 40 10 IHCBLN COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(C)[nH]n(-c2ccc(OC)cc2)c1=O ZINC000112292359 557239256 /nfs/dbraw/zinc/23/92/56/557239256.db2.gz DHHXYYCXYLSANO-BKUYFWCQSA-N 0 2 439.468 3.608 40 10 IHCBLN CCOc1ccccc1NC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC ZINC000112292869 557239316 /nfs/dbraw/zinc/23/93/16/557239316.db2.gz ANKKMELEZLESMY-STZFKDTASA-N 0 2 438.440 3.645 40 10 IHCBLN CCOc1ccccc1N=C(C)c1c(CC(=O)OC)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112292869 557239317 /nfs/dbraw/zinc/23/93/17/557239317.db2.gz ANKKMELEZLESMY-STZFKDTASA-N 0 2 438.440 3.645 40 10 IHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000035352796 569260166 /nfs/dbraw/zinc/26/01/66/569260166.db2.gz ZJLHXUPDKMMBHL-UNOMPAQXSA-N 0 2 433.395 3.774 40 10 IHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Br ZINC000408804149 556860013 /nfs/dbraw/zinc/86/00/13/556860013.db2.gz WJVPISLKXBLKTN-XNTDXEJSSA-N 0 2 429.270 3.823 40 10 IHCBLN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408818464 556864580 /nfs/dbraw/zinc/86/45/80/556864580.db2.gz VNCVIHSWPIVZHX-MHWRWJLKSA-N 0 2 429.270 3.741 40 10 IHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(SC)cc3)C2=O)c1 ZINC000408850247 556870623 /nfs/dbraw/zinc/87/06/23/556870623.db2.gz JKLOFTZZPVLGEW-SFQUDFHCSA-N 0 2 426.494 3.872 40 10 IHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408850831 556870854 /nfs/dbraw/zinc/87/08/54/556870854.db2.gz RVXRJFYTYIDGPQ-UDWIEESQSA-N 0 2 442.427 3.661 40 10 IHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(OCC)c3)C2=O)cc1 ZINC000408870741 556874640 /nfs/dbraw/zinc/87/46/40/556874640.db2.gz UMLIVRGAZFYTJD-WOJGMQOQSA-N 0 2 442.855 3.582 40 10 IHCBLN CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1 ZINC000408881142 556878166 /nfs/dbraw/zinc/87/81/66/556878166.db2.gz JVAUMGFTGMBBSX-LICLKQGHSA-N 0 2 445.269 3.523 40 10 IHCBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC)c(OC)c3)C2=O)cc1 ZINC000408895185 556880631 /nfs/dbraw/zinc/88/06/31/556880631.db2.gz CUCCVWOLJBXXFO-RGEXLXHISA-N 0 2 438.480 3.939 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 ZINC000408896038 556880844 /nfs/dbraw/zinc/88/08/44/556880844.db2.gz GLOSXMRURPSXQS-YBEGLDIGSA-N 0 2 444.871 3.900 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCCC)C2=O)cc1 ZINC000408897185 556883039 /nfs/dbraw/zinc/88/30/39/556883039.db2.gz HZMRWJKGFVLBJS-ZHZULCJRSA-N 0 2 438.480 3.939 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c(OCC)c1 ZINC000408944608 556897495 /nfs/dbraw/zinc/89/74/95/556897495.db2.gz MZZBPCZCQXINBW-HMMYKYKNSA-N 0 2 445.475 3.941 40 10 IHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409197281 556995027 /nfs/dbraw/zinc/99/50/27/556995027.db2.gz AMHOPJQJJDVHJJ-HDAJJNEKSA-N 0 2 427.888 3.604 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2c(OC)ccc3ccc(OC)cc32)C1=O ZINC000409244526 557026807 /nfs/dbraw/zinc/02/68/07/557026807.db2.gz FAFMAYJUKVTQSI-XMHGGMMESA-N 0 2 446.459 3.922 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O[C@H](C)CC)c(OC)c2)C1=O ZINC000409243278 557033200 /nfs/dbraw/zinc/03/32/00/557033200.db2.gz ZRTNHDBHHQEUOE-OVGFGYAMSA-N 0 2 438.480 3.938 40 10 IHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000409394377 557098506 /nfs/dbraw/zinc/09/85/06/557098506.db2.gz ZQAYSSHENPSXCR-FYJGNVAPSA-N 0 2 440.434 3.890 40 10 IHCBLN COC(=O)c1cc(OC)c(OC)cc1N=C(C)C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000112289895 557238584 /nfs/dbraw/zinc/23/85/84/557238584.db2.gz NHVZCJNUKYEFPA-NDENLUEZSA-N 0 2 427.432 3.738 40 10 IHCBLN COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000112289895 557238588 /nfs/dbraw/zinc/23/85/88/557238588.db2.gz NHVZCJNUKYEFPA-NDENLUEZSA-N 0 2 427.432 3.738 40 10 IHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)c(C)c1 ZINC000408533824 569583213 /nfs/dbraw/zinc/58/32/13/569583213.db2.gz PFOSXFSTWSCBBL-NTEUORMPSA-N 0 2 440.912 4.454 40 10 IHCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3Cl)C2=O)c1 ZINC000408527288 555717188 /nfs/dbraw/zinc/71/71/88/555717188.db2.gz DFQBJZJZCOWPSP-UKTHLTGXSA-N 0 2 434.677 3.990 40 10 IHCBLN CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408799952 556857845 /nfs/dbraw/zinc/85/78/45/556857845.db2.gz LZNDEQZXFAKJKA-MHWRWJLKSA-N 0 2 445.269 3.608 40 10 IHCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000408800965 556858308 /nfs/dbraw/zinc/85/83/08/556858308.db2.gz QNGFVJUFTJIWRS-OQLLNIDSSA-N 0 2 445.269 3.608 40 10 IHCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408804041 556859976 /nfs/dbraw/zinc/85/99/76/556859976.db2.gz CISMBSFOIRBFPK-CPNJWEJPSA-N 0 2 431.404 3.813 40 10 IHCBLN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1 ZINC000408809181 556861901 /nfs/dbraw/zinc/86/19/01/556861901.db2.gz NJFMNKRKXRLKBB-HYARGMPZSA-N 0 2 428.444 3.946 40 10 IHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC)C2=O)cc1 ZINC000408816403 556863644 /nfs/dbraw/zinc/86/36/44/556863644.db2.gz RTNVHXDVEBAOJA-SFQUDFHCSA-N 0 2 442.855 3.582 40 10 IHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408813508 556865054 /nfs/dbraw/zinc/86/50/54/556865054.db2.gz ULMGHNLQTATQBY-XSFVSMFZSA-N 0 2 443.415 3.840 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(O)c1 ZINC000408890685 556879033 /nfs/dbraw/zinc/87/90/33/556879033.db2.gz XPDFTLZDAFMMCK-FYJGNVAPSA-N 0 2 444.443 3.646 40 10 IHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2O)C1=O ZINC000408898575 556883319 /nfs/dbraw/zinc/88/33/19/556883319.db2.gz XBXSFWDQIUIDLW-NTUHNPAUSA-N 0 2 435.661 3.783 40 10 IHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC(C)C ZINC000408908717 556887034 /nfs/dbraw/zinc/88/70/34/556887034.db2.gz CWAOZSIGRLRIRN-VIZOYTHASA-N 0 2 432.835 3.941 40 10 IHCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408957011 556900346 /nfs/dbraw/zinc/90/03/46/556900346.db2.gz ZRCMUNFOYIOQMM-VGOFMYFVSA-N 0 2 428.828 3.522 40 10 IHCBLN CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409217787 557012454 /nfs/dbraw/zinc/01/24/54/557012454.db2.gz WOPPJSZJULHRGL-XQNSMLJCSA-N 0 2 441.487 3.998 40 10 IHCBLN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000409228826 557015641 /nfs/dbraw/zinc/01/56/41/557015641.db2.gz FSATYCWKLGSODN-XSFVSMFZSA-N 0 2 433.508 3.969 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc(OC)c2O[C@@H](C)CC)C1=O ZINC000409238179 557019658 /nfs/dbraw/zinc/01/96/58/557019658.db2.gz LYPSCVJFJOMTTJ-JEFCNZTNSA-N 0 2 438.480 3.938 40 10 IHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3OC)C2=O)cc1 ZINC000409251804 557036927 /nfs/dbraw/zinc/03/69/27/557036927.db2.gz QHTWCDRKDIKFQV-RCCKNPSSSA-N 0 2 433.508 3.914 40 10 IHCBLN COC(=O)c1ccc(C(=O)OC)c(N=C(C)C2C(=O)N(c3ccc(F)cc3)N=C2C)c1 ZINC000112290335 557238953 /nfs/dbraw/zinc/23/89/53/557238953.db2.gz NXCWMCAZRSKZKW-UNOMPAQXSA-N 0 2 425.416 3.508 40 10 IHCBLN COC(=O)c1ccc(C(=O)OC)c(N=C(C)c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1 ZINC000112290335 557238955 /nfs/dbraw/zinc/23/89/55/557238955.db2.gz NXCWMCAZRSKZKW-UNOMPAQXSA-N 0 2 425.416 3.508 40 10 IHCBLN CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1 ZINC000059104555 557814272 /nfs/dbraw/zinc/81/42/72/557814272.db2.gz NTCMSZHRHOUPBN-LICLKQGHSA-N 0 2 437.452 3.777 40 10 IHCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000004106582 132269695 /nfs/dbraw/zinc/26/96/95/132269695.db2.gz YUFOTZPLTPKRQT-JAIQZWGSSA-N 0 2 443.459 3.798 40 10 IHCBLN Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408797602 556857479 /nfs/dbraw/zinc/85/74/79/556857479.db2.gz GSXIRDFBKRUVBT-KGENOOAVSA-N 0 2 428.444 3.946 40 10 IHCBLN CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408805137 556860496 /nfs/dbraw/zinc/86/04/96/556860496.db2.gz IRUCNXBKKMTGFD-LFIBNONCSA-N 0 2 445.269 3.610 40 10 IHCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000408834796 556866984 /nfs/dbraw/zinc/86/69/84/556866984.db2.gz LZRCHHOLPXVKEF-GXDHUFHOSA-N 0 2 444.871 3.812 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCC)c(OC)c3)C2=O)cc1 ZINC000408896631 556881162 /nfs/dbraw/zinc/88/11/62/556881162.db2.gz GSEQDZMJIROILR-RGEXLXHISA-N 0 2 438.480 3.939 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 ZINC000408893444 556881807 /nfs/dbraw/zinc/88/18/07/556881807.db2.gz APBKRQUMJCFOQK-DHDCSXOGSA-N 0 2 430.844 3.509 40 10 IHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409389966 557100965 /nfs/dbraw/zinc/10/09/65/557100965.db2.gz DBOZJHPPRVSITD-XNTDXEJSSA-N 0 2 438.783 3.570 40 10 IHCBLN COC(=O)c1cc(N=C(C)C2C(=O)N(c3ccc(F)cc3)N=C2C)cc(C(=O)OC)c1 ZINC000112290567 557238806 /nfs/dbraw/zinc/23/88/06/557238806.db2.gz IVGPQPABALXFGL-UNOMPAQXSA-N 0 2 425.416 3.508 40 10 IHCBLN COC(=O)c1cc(N=C(C)c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc(C(=O)OC)c1 ZINC000112290567 557238810 /nfs/dbraw/zinc/23/88/10/557238810.db2.gz IVGPQPABALXFGL-UNOMPAQXSA-N 0 2 425.416 3.508 40 10 IHCBLN COC(=O)c1cc(NC(C)=C2C(C)=NN(c3ccc(F)cc3)C2=O)cc(C(=O)OC)c1 ZINC000112290567 557238814 /nfs/dbraw/zinc/23/88/14/557238814.db2.gz IVGPQPABALXFGL-UNOMPAQXSA-N 0 2 425.416 3.508 40 10 IHCBLN Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000107884863 569260706 /nfs/dbraw/zinc/26/07/06/569260706.db2.gz HHOWSMJHEAFGLC-ZHZULCJRSA-N 0 2 443.415 3.584 40 10 IHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000034857581 555510268 /nfs/dbraw/zinc/51/02/68/555510268.db2.gz PYJJVCPFVVJYHU-UNOMPAQXSA-N 0 2 433.395 3.774 40 10 IHCBLN CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3occ(C)c3C)cc2)c(=O)[nH]1 ZINC000017021136 556653263 /nfs/dbraw/zinc/65/32/63/556653263.db2.gz FHUOFRNKDSACOY-QURGRASLSA-N 0 2 434.503 3.912 40 10 IHCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408801496 556858667 /nfs/dbraw/zinc/85/86/67/556858667.db2.gz UBINBFDGIPSPAS-NTEUORMPSA-N 0 2 435.661 3.778 40 10 IHCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000408806676 556859120 /nfs/dbraw/zinc/85/91/20/556859120.db2.gz AXTMXZMONUFTSD-RVDMUPIBSA-N 0 2 446.301 3.863 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000408819093 556864742 /nfs/dbraw/zinc/86/47/42/556864742.db2.gz WQASXKXRLLEDIE-NTUHNPAUSA-N 0 2 435.661 3.778 40 10 IHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccccc1Cc1ccccc1F ZINC000408868457 556874000 /nfs/dbraw/zinc/87/40/00/556874000.db2.gz MQJSBXUCNXMUAS-DEDYPNTBSA-N 0 2 445.406 3.991 40 10 IHCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408871554 556875071 /nfs/dbraw/zinc/87/50/71/556875071.db2.gz YWWSKHOCCSQJGI-MDWZMJQESA-N 0 2 435.661 3.778 40 10 IHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409197282 556994962 /nfs/dbraw/zinc/99/49/62/556994962.db2.gz AMHOPJQJJDVHJJ-PYJSORCASA-N 0 2 427.888 3.604 40 10 IHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409239403 557020670 /nfs/dbraw/zinc/02/06/70/557020670.db2.gz MKXPTSVWWWUEOL-RQZCQDPDSA-N 0 2 438.846 3.948 40 10 IHCBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br ZINC000409255708 557034763 /nfs/dbraw/zinc/03/47/63/557034763.db2.gz ZLGQWIHMKMGBTP-KMHUVPDISA-N 0 2 444.285 3.688 40 10 IHCBLN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)c(O)c(Br)c1 ZINC000058866224 557812320 /nfs/dbraw/zinc/81/23/20/557812320.db2.gz OFICAGNPSJVSMI-UHFFFAOYSA-N 0 2 432.064 3.671 40 10 IHCBLN N#Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000107921937 569260613 /nfs/dbraw/zinc/26/06/13/569260613.db2.gz DPPJVXSEVCKLRQ-BKUYFWCQSA-N 0 2 440.415 3.507 40 10 IHCBLN CCN(CC)c1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000032125468 556535208 /nfs/dbraw/zinc/53/52/08/556535208.db2.gz DMJULMYGTSQPOC-QBFSEMIESA-N 0 2 436.468 3.979 40 10 IHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c(Br)c2)C1=O ZINC000016162431 556586536 /nfs/dbraw/zinc/58/65/36/556586536.db2.gz CVGKGUHREDMDNU-UVTDQMKNSA-N 0 2 429.270 3.687 40 10 IHCBLN COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000016226481 556592709 /nfs/dbraw/zinc/59/27/09/556592709.db2.gz FILLFOMEEHPILK-ZSOIEALJSA-N 0 2 446.213 3.873 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3)C2=O)cc1 ZINC000408806761 556859135 /nfs/dbraw/zinc/85/91/35/556859135.db2.gz BRRBOTFDRIQMAZ-RCCKNPSSSA-N 0 2 428.444 3.941 40 10 IHCBLN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408802863 556859758 /nfs/dbraw/zinc/85/97/58/556859758.db2.gz ILLNYSMILUUVHC-RIYZIHGNSA-N 0 2 435.661 3.778 40 10 IHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OC ZINC000408810334 556862175 /nfs/dbraw/zinc/86/21/75/556862175.db2.gz JLPGFJOCDWBKGW-AWNIVKPZSA-N 0 2 435.263 3.985 40 10 IHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000408947267 556898264 /nfs/dbraw/zinc/89/82/64/556898264.db2.gz ZZAUATFPOLMNGX-XNTDXEJSSA-N 0 2 429.816 3.703 40 10 IHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1Cc1ccccc1 ZINC000408947691 556898345 /nfs/dbraw/zinc/89/83/45/556898345.db2.gz CVGQBZVCVOFJGA-RGVLZGJSSA-N 0 2 443.459 3.548 40 10 IHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409242400 557032235 /nfs/dbraw/zinc/03/22/35/557032235.db2.gz UQLPLHJCXATWHG-OQLLNIDSSA-N 0 2 438.783 3.570 40 10 IHCBLN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 ZINC000208192718 557078729 /nfs/dbraw/zinc/07/87/29/557078729.db2.gz SMXYVSBQCTZWMQ-XKYMITNMSA-N 0 2 447.491 3.804 40 10 IHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1 ZINC000033784295 569259968 /nfs/dbraw/zinc/25/99/68/569259968.db2.gz INBOWYGPKJPZHD-UNOMPAQXSA-N 0 2 445.431 3.644 40 10 IHCBLN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000038173293 569260209 /nfs/dbraw/zinc/26/02/09/569260209.db2.gz VYSIIBGQIUAOQE-OQLLNIDSSA-N 0 2 441.465 3.933 40 10 IHCBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccccc1 ZINC000408536135 555759003 /nfs/dbraw/zinc/75/90/03/555759003.db2.gz PWFBNXJFMCJGAL-VKAVYKQESA-N 0 2 430.391 3.711 40 10 IHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OC(C)C)C2=O)cc1 ZINC000408800417 556857982 /nfs/dbraw/zinc/85/79/82/556857982.db2.gz PCOPHDWSJFPGPB-GZTJUZNOSA-N 0 2 442.855 3.580 40 10 IHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408802854 556859793 /nfs/dbraw/zinc/85/97/93/556859793.db2.gz IGODBNCZZWBRNK-DEDYPNTBSA-N 0 2 444.443 3.646 40 10 IHCBLN CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408811448 556862701 /nfs/dbraw/zinc/86/27/01/556862701.db2.gz LHZMOZNLSHAOGP-CXUHLZMHSA-N 0 2 429.816 3.702 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC)c(OC)c3)C2=O)cc1 ZINC000408815458 556863324 /nfs/dbraw/zinc/86/33/24/556863324.db2.gz WWNUJZVEXAHOML-MHWRWJLKSA-N 0 2 444.871 3.812 40 10 IHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1cccc(F)c1 ZINC000408873935 556875726 /nfs/dbraw/zinc/87/57/26/556875726.db2.gz XMQLCGUGRAVDGQ-FYJGNVAPSA-N 0 2 446.434 3.797 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCC ZINC000408876662 556876977 /nfs/dbraw/zinc/87/69/77/556876977.db2.gz MZSTZAJWAKEDCH-LCYFTJDESA-N 0 2 432.835 3.943 40 10 IHCBLN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1 ZINC000408912230 556888482 /nfs/dbraw/zinc/88/84/82/556888482.db2.gz DRLYSQGCXYGIDE-WOJGMQOQSA-N 0 2 435.367 3.969 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OC ZINC000408986104 556909151 /nfs/dbraw/zinc/90/91/51/556909151.db2.gz ZOHFPLDLIJSMAU-YBEGLDIGSA-N 0 2 428.872 3.976 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N(CC)CC)cc2OC)C1=O ZINC000409229275 557015578 /nfs/dbraw/zinc/01/55/78/557015578.db2.gz MLUXNFRBXXOROR-NBVRZTHBSA-N 0 2 437.496 3.607 40 10 IHCBLN Cc1cc(NC=C2C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)cc([N+](=O)[O-])c1C ZINC000408526429 555715706 /nfs/dbraw/zinc/71/57/06/555715706.db2.gz BHMPHICXXRQOPA-LDADJPATSA-N 0 2 430.420 3.944 40 10 IHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000035103642 555772401 /nfs/dbraw/zinc/77/24/01/555772401.db2.gz SDZKVFZIQDNFKS-PDGQHHTCSA-N 0 2 433.395 3.774 40 10 IHCBLN Cc1cc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Br ZINC000408536628 555773260 /nfs/dbraw/zinc/77/32/60/555773260.db2.gz WWZOUGHMKVJITA-FMIVXFBMSA-N 0 2 434.677 3.990 40 10 IHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC ZINC000035377372 556088947 /nfs/dbraw/zinc/08/89/47/556088947.db2.gz SQBFMXGCNDZCSG-WQLSENKSSA-N 0 2 437.677 3.581 40 10 IHCBLN CC1(C)Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc2O1 ZINC000408710940 556118394 /nfs/dbraw/zinc/11/83/94/556118394.db2.gz YYEXWFUOWCPPEV-MHWRWJLKSA-N 0 2 441.281 3.829 40 10 IHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000016399895 556605212 /nfs/dbraw/zinc/60/52/12/556605212.db2.gz RYTXVGMVQZQKPF-SDQBBNPISA-N 0 2 432.186 3.570 40 10 IHCBLN O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000408766232 556829707 /nfs/dbraw/zinc/82/97/07/556829707.db2.gz AMTCAROPTIGXCB-KPKJPENVSA-N 0 2 439.733 3.933 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408801174 556858571 /nfs/dbraw/zinc/85/85/71/556858571.db2.gz RYLBBRTZUJPNME-PXLXIMEGSA-N 0 2 428.444 3.941 40 10 IHCBLN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408801688 556858619 /nfs/dbraw/zinc/85/86/19/556858619.db2.gz WXVVFQYCLWFEDA-XNTDXEJSSA-N 0 2 429.270 3.741 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1Br ZINC000408802608 556859297 /nfs/dbraw/zinc/85/92/97/556859297.db2.gz ZIZIAFSCFWAOST-NTEUORMPSA-N 0 2 429.270 3.741 40 10 IHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408805284 556860803 /nfs/dbraw/zinc/86/08/03/556860803.db2.gz FUPTXVSPDBOMEU-OQLLNIDSSA-N 0 2 429.816 3.703 40 10 IHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Br)c1O ZINC000408843553 556868416 /nfs/dbraw/zinc/86/84/16/556868416.db2.gz FZUMUQVCAHOPQM-WUXMJOGZSA-N 0 2 439.624 3.614 40 10 IHCBLN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408855083 556871836 /nfs/dbraw/zinc/87/18/36/556871836.db2.gz DEBBUFZKGJTVGE-LFYBBSHMSA-N 0 2 449.246 3.787 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(Cc2cccc(F)c2)c1 ZINC000408873690 556875618 /nfs/dbraw/zinc/87/56/18/556875618.db2.gz WGBGDHTYSSEGKM-HYARGMPZSA-N 0 2 446.434 3.797 40 10 IHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccc(Oc2nc(Cl)ncc2F)c1 ZINC000409066610 556941916 /nfs/dbraw/zinc/94/19/16/556941916.db2.gz WIGNDVPIEMFSQC-XNTDXEJSSA-N 0 2 438.802 3.728 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OCC)c(OC)c2)C1=O ZINC000409221580 557016848 /nfs/dbraw/zinc/01/68/48/557016848.db2.gz SFKWABKSGKZJHP-GXDHUFHOSA-N 0 2 444.871 3.812 40 10 IHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409249599 557030236 /nfs/dbraw/zinc/03/02/36/557030236.db2.gz UVBFUGYAKUSBIL-OQLLNIDSSA-N 0 2 438.783 3.570 40 10 IHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409392466 557096936 /nfs/dbraw/zinc/09/69/36/557096936.db2.gz MTBLSSINUNEDGA-LICLKQGHSA-N 0 2 438.846 3.948 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3I)C2=O)cc1C ZINC000108203626 557498605 /nfs/dbraw/zinc/49/86/05/557498605.db2.gz FVHRMOZOJCYHEB-XNTDXEJSSA-N 0 2 446.244 3.574 40 10 IHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccccc1F ZINC000108243795 569260963 /nfs/dbraw/zinc/26/09/63/569260963.db2.gz DQAOJPNHXPCXGP-AQTBWJFISA-N 0 2 433.395 3.774 40 10 IHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000009310862 556279213 /nfs/dbraw/zinc/27/92/13/556279213.db2.gz NEDYUKDMAIHSPX-MTJSOVHGSA-N 0 2 444.447 3.977 40 10 IHCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1O ZINC000016688252 556626067 /nfs/dbraw/zinc/62/60/67/556626067.db2.gz YOTOLDMPVDKGKC-MLPAPPSSSA-N 0 2 431.788 3.859 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408810111 556862081 /nfs/dbraw/zinc/86/20/81/556862081.db2.gz LPBONZVXELNGLR-CXUHLZMHSA-N 0 2 444.871 3.811 40 10 IHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1ccccc1F ZINC000408880941 556878233 /nfs/dbraw/zinc/87/82/33/556878233.db2.gz KQEZWIAZUCMOCM-UDWIEESQSA-N 0 2 446.434 3.797 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C)cn3)c2C)C1=O ZINC000409232380 557024108 /nfs/dbraw/zinc/02/41/08/557024108.db2.gz OMHUJJPKULGDJB-CPNJWEJPSA-N 0 2 444.491 3.863 40 10 IHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409233517 557024976 /nfs/dbraw/zinc/02/49/76/557024976.db2.gz KXGCVWHMDCOHFH-ZROIWOOFSA-N 0 2 438.783 3.570 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Cl)c3O)C2=O)cc1 ZINC000059426734 557823590 /nfs/dbraw/zinc/82/35/90/557823590.db2.gz NTOPIRFRNDCESB-QPEQYQDCSA-N 0 2 435.661 3.783 40 10 IHCBLN Cc1ccccc1NC=C1C(=O)NC(=O)N(c2cc(C)c(Br)cc2C)C1=O ZINC000408530868 555726669 /nfs/dbraw/zinc/72/66/69/555726669.db2.gz MYNQNLSBWFVDHW-GXDHUFHOSA-N 0 2 428.286 3.953 40 10 IHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3I)C2=O)c1 ZINC000408549980 555831402 /nfs/dbraw/zinc/83/14/02/555831402.db2.gz CJVIYDPFDLDWPE-XNTDXEJSSA-N 0 2 446.244 3.574 40 10 IHCBLN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408756821 556236867 /nfs/dbraw/zinc/23/68/67/556236867.db2.gz JXAZOVYNXYAKEZ-FYJGNVAPSA-N 0 2 443.507 3.993 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1C ZINC000016312228 556599761 /nfs/dbraw/zinc/59/97/61/556599761.db2.gz IQEMFRBMRQXFRO-XDHOZWIPSA-N 0 2 436.512 3.878 40 10 IHCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)c1C ZINC000016349978 556601991 /nfs/dbraw/zinc/60/19/91/556601991.db2.gz SHCLLEMEMRFKBY-PDGQHHTCSA-N 0 2 436.512 3.878 40 10 IHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000408771752 556847527 /nfs/dbraw/zinc/84/75/27/556847527.db2.gz CJYLMBJRGOPFAQ-JYRVWZFOSA-N 0 2 435.661 3.778 40 10 IHCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c(OC)cc1Cl ZINC000408829256 556866662 /nfs/dbraw/zinc/86/66/62/556866662.db2.gz FHKAVMPFUFBHSF-OQLLNIDSSA-N 0 2 444.871 3.811 40 10 IHCBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCC)C2=O)cc1 ZINC000408900103 556882029 /nfs/dbraw/zinc/88/20/29/556882029.db2.gz RMVLUTOKRBLYJD-ZHZULCJRSA-N 0 2 438.480 3.939 40 10 IHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000408935106 556895462 /nfs/dbraw/zinc/89/54/62/556895462.db2.gz GSGMQKLPFARQAH-MOSHPQCFSA-N 0 2 432.407 3.777 40 10 IHCBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408948233 556898694 /nfs/dbraw/zinc/89/86/94/556898694.db2.gz FCOFYJHHAQHBLE-AZZDOICSSA-N 0 2 442.855 3.912 40 10 IHCBLN COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408965329 556902519 /nfs/dbraw/zinc/90/25/19/556902519.db2.gz KFZCSMXKYDVROE-GFJWLWTISA-N 0 2 427.254 3.680 40 10 IHCBLN CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408981807 556908009 /nfs/dbraw/zinc/90/80/09/556908009.db2.gz CQKIGJCMDGRJFF-YBEGLDIGSA-N 0 2 428.872 3.976 40 10 IHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)cc1 ZINC000408983211 556908248 /nfs/dbraw/zinc/90/82/48/556908248.db2.gz GFXWCGFZZHQEID-GDNBJRDFSA-N 0 2 429.270 3.687 40 10 IHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409392093 557096455 /nfs/dbraw/zinc/09/64/55/557096455.db2.gz KVXIRUPYZCZTBF-WJDWOHSUSA-N 0 2 438.237 3.771 40 10 IHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1O ZINC000014132687 557421508 /nfs/dbraw/zinc/42/15/08/557421508.db2.gz MQUZEBCZJNBRPZ-MDWZMJQESA-N 0 2 445.269 3.528 40 10 IHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 ZINC000059106165 557820278 /nfs/dbraw/zinc/82/02/78/557820278.db2.gz FUFQACHSORNTPE-XGICHPGQSA-N 0 2 433.189 3.824 40 10 IHCBLN N#Cc1ccccc1COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000034707128 569260023 /nfs/dbraw/zinc/26/00/23/569260023.db2.gz JZVCPAZQAZGDJI-NDENLUEZSA-N 0 2 440.415 3.507 40 10 IHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000208678565 569261336 /nfs/dbraw/zinc/26/13/36/569261336.db2.gz HOJCPDDNBDUXOV-BKUYFWCQSA-N 0 2 444.447 3.977 40 10 IHCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1nc(-c2ccccc2)cs1 ZINC000408537113 569584121 /nfs/dbraw/zinc/58/41/21/569584121.db2.gz ZEMTZMMGJOOMNX-QGOAFFKASA-N 0 2 440.484 4.542 40 10 IHCBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccco1 ZINC000408537849 555782907 /nfs/dbraw/zinc/78/29/07/555782907.db2.gz XQYMSUYCGNHAHC-VBKFSLOCSA-N 0 2 436.807 3.819 40 10 IHCBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(O)c([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000016282187 556596702 /nfs/dbraw/zinc/59/67/02/556596702.db2.gz IQHPJAWLSRBWKT-GHXNOFRVSA-N 0 2 446.213 3.878 40 10 IHCBLN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 ZINC000036716408 556599776 /nfs/dbraw/zinc/59/97/76/556599776.db2.gz RNLQFBYNXGMURH-LICLKQGHSA-N 0 2 443.506 3.839 40 10 IHCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408802094 556858019 /nfs/dbraw/zinc/85/80/19/556858019.db2.gz CWRJZUFBBSPBQH-GZTJUZNOSA-N 0 2 429.270 3.903 40 10 IHCBLN CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408811104 556862376 /nfs/dbraw/zinc/86/23/76/556862376.db2.gz NLCJGAUHCIANQR-FOWTUZBSSA-N 0 2 429.270 3.904 40 10 IHCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 ZINC000408815264 556862918 /nfs/dbraw/zinc/86/29/18/556862918.db2.gz UTXBMWYBEGNZIM-RVDMUPIBSA-N 0 2 432.274 3.555 40 10 IHCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408815733 556863234 /nfs/dbraw/zinc/86/32/34/556863234.db2.gz UIAWMUJYTHICJO-XSFVSMFZSA-N 0 2 444.443 3.692 40 10 IHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1 ZINC000408823809 556865661 /nfs/dbraw/zinc/86/56/61/556865661.db2.gz FEWRBIXFIPOHDQ-XNTDXEJSSA-N 0 2 444.871 3.812 40 10 IHCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408866063 556873635 /nfs/dbraw/zinc/87/36/35/556873635.db2.gz FMKAFXYBUNXTDA-OVCLIPMQSA-N 0 2 435.661 3.778 40 10 IHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(OC)c3)C2=O)cc1 ZINC000408882153 556878441 /nfs/dbraw/zinc/87/84/41/556878441.db2.gz LKFZBKXQJXMJQJ-LICLKQGHSA-N 0 2 429.270 3.687 40 10 IHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000408940335 556896660 /nfs/dbraw/zinc/89/66/60/556896660.db2.gz NVKZNATZTULGLT-XSFVSMFZSA-N 0 2 443.415 3.840 40 10 IHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Cl)c1OC(C)C ZINC000409228636 557015374 /nfs/dbraw/zinc/01/53/74/557015374.db2.gz BVVNKWALJQKRIQ-OVCLIPMQSA-N 0 2 429.860 3.587 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc(OC)cc2)C1=O ZINC000409241069 557031350 /nfs/dbraw/zinc/03/13/50/557031350.db2.gz WWMWIMSCTBSUTH-XDJHFCHBSA-N 0 2 431.448 3.551 40 10 IHCBLN COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409242965 557032851 /nfs/dbraw/zinc/03/28/51/557032851.db2.gz XBZGKUHVRBCJAK-KPKJPENVSA-N 0 2 435.263 3.985 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000409243280 557033165 /nfs/dbraw/zinc/03/31/65/557033165.db2.gz ZRTNHDBHHQEUOE-XOAFGZPJSA-N 0 2 438.480 3.938 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c(Br)c2)C1=O ZINC000002978815 557134369 /nfs/dbraw/zinc/13/43/69/557134369.db2.gz NNCKMLSKOOEHKJ-JLHYYAGUSA-N 0 2 445.269 3.523 40 10 IHCBLN CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000059104355 557814091 /nfs/dbraw/zinc/81/40/91/557814091.db2.gz JCWDIWFDQZBJJM-AWNIVKPZSA-N 0 2 444.827 3.983 40 10 IHCBLN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000034909860 569260058 /nfs/dbraw/zinc/26/00/58/569260058.db2.gz MYYHCNVLYOWRAP-CDCQXCROSA-N 0 2 449.290 3.785 40 10 IHCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 ZINC000006997578 132280250 /nfs/dbraw/zinc/28/02/50/132280250.db2.gz UAOWGGVBPRFYLU-VBKFSLOCSA-N 0 2 444.285 3.699 40 10 IHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000009265416 132311947 /nfs/dbraw/zinc/31/19/47/132311947.db2.gz VBHGFEXENZIQCJ-ODLFYWEKSA-N 0 2 443.459 3.798 40 10 IHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNC(=S)Nc2cccc3ccccc32)C1=O ZINC000408527190 555717052 /nfs/dbraw/zinc/71/70/52/555717052.db2.gz CYPAZWUWBYUNGJ-NBVRZTHBSA-N 0 2 444.516 3.856 40 10 IHCBLN COC(=O)c1cc(NC=C2C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)ccc1Cl ZINC000408532954 555745628 /nfs/dbraw/zinc/74/56/28/555745628.db2.gz NJFBTURDHQEUJD-SFQUDFHCSA-N 0 2 449.850 3.859 40 10 IHCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408548514 555810003 /nfs/dbraw/zinc/81/00/03/555810003.db2.gz HZVLAMCHGJUAOE-NTUHNPAUSA-N 0 2 435.263 3.985 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000016691691 556627375 /nfs/dbraw/zinc/62/73/75/556627375.db2.gz YVILGMXFOTWHFY-DHDCSXOGSA-N 0 2 441.396 3.605 40 10 IHCBLN Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408800449 556858070 /nfs/dbraw/zinc/85/80/70/556858070.db2.gz MIJIUUVXWBZVSA-KGENOOAVSA-N 0 2 428.444 3.946 40 10 IHCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408803831 556859916 /nfs/dbraw/zinc/85/99/16/556859916.db2.gz AWADBVLXDZRLAP-OVCLIPMQSA-N 0 2 429.816 3.702 40 10 IHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408808554 556861564 /nfs/dbraw/zinc/86/15/64/556861564.db2.gz QEWHIOJWHBVYKC-OVCLIPMQSA-N 0 2 430.844 3.508 40 10 IHCBLN CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC ZINC000408867558 556873909 /nfs/dbraw/zinc/87/39/09/556873909.db2.gz IXSWGSRLCKPWMM-GDNBJRDFSA-N 0 2 428.872 3.976 40 10 IHCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408868772 556874105 /nfs/dbraw/zinc/87/41/05/556874105.db2.gz OORDRGSNVPPDFE-OVCLIPMQSA-N 0 2 435.661 3.778 40 10 IHCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408879368 556876048 /nfs/dbraw/zinc/87/60/48/556876048.db2.gz FPPGAGJUCOPMJR-VIZOYTHASA-N 0 2 435.661 3.778 40 10 IHCBLN CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O ZINC000408900071 556882079 /nfs/dbraw/zinc/88/20/79/556882079.db2.gz RHTYQMSKWGVYJU-OQLLNIDSSA-N 0 2 445.269 3.528 40 10 IHCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(Br)cc(Cl)c1O ZINC000408913099 556887566 /nfs/dbraw/zinc/88/75/66/556887566.db2.gz KPUFEAMJUUSSRC-XGICHPGQSA-N 0 2 439.624 3.614 40 10 IHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000408956429 556900250 /nfs/dbraw/zinc/90/02/50/556900250.db2.gz WSLCPYLPDCXCKC-XDHOZWIPSA-N 0 2 442.427 3.661 40 10 IHCBLN O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000409215225 557009944 /nfs/dbraw/zinc/00/99/44/557009944.db2.gz YYWFLUPQHKWJRZ-KGENOOAVSA-N 0 2 443.415 3.840 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCC3)c(F)c2)C1=O ZINC000409233135 557024561 /nfs/dbraw/zinc/02/45/61/557024561.db2.gz QTURRTBQYSWEOW-SAPNQHFASA-N 0 2 437.471 3.881 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409244620 557026701 /nfs/dbraw/zinc/02/67/01/557026701.db2.gz GGOZFNIKHQUAJB-GHRIWEEISA-N 0 2 447.403 3.920 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(O)cc3)c2C)C1=O ZINC000409242763 557032615 /nfs/dbraw/zinc/03/26/15/557032615.db2.gz YFCRCEIFCNYWFB-XSFVSMFZSA-N 0 2 445.475 3.865 40 10 IHCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000033913886 557810131 /nfs/dbraw/zinc/81/01/31/557810131.db2.gz QHKWERGKKORRBD-KTZOAPACSA-N 0 2 438.896 3.893 40 10 IHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000059104660 557814297 /nfs/dbraw/zinc/81/42/97/557814297.db2.gz QVPRYICAYKBBDJ-RVDMUPIBSA-N 0 2 425.397 3.899 40 10 IHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000033667299 569259600 /nfs/dbraw/zinc/25/96/00/569259600.db2.gz IFZXPBFGAGUERQ-YBEGLDIGSA-N 0 2 436.811 3.897 40 10 IHCBLN C#CCOc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000035214430 569260178 /nfs/dbraw/zinc/26/01/78/569260178.db2.gz OKOZTUUFMWPTOO-GDNBJRDFSA-N 0 2 431.673 3.576 40 10 IHCBLN O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001153837 555657864 /nfs/dbraw/zinc/65/78/64/555657864.db2.gz HTOTXBBBBYRODJ-MHWRWJLKSA-N 0 2 426.791 3.639 40 10 IHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2c(C)nn(-c3ccccc3)c2C)C1=O ZINC000408529042 555722598 /nfs/dbraw/zinc/72/25/98/555722598.db2.gz GUQXXZHJJVBDDP-XMHGGMMESA-N 0 2 429.480 3.630 40 10 IHCBLN CN(C)c1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 ZINC000015539659 556533755 /nfs/dbraw/zinc/53/37/55/556533755.db2.gz YXWIWACPZXRQGR-UHFFFAOYSA-N 0 2 429.567 3.887 40 10 IHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC ZINC000013915673 556661885 /nfs/dbraw/zinc/66/18/85/556661885.db2.gz DDZXNNJDBQGYAS-YBEGLDIGSA-N 0 2 444.871 3.812 40 10 IHCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 ZINC000408806399 556858939 /nfs/dbraw/zinc/85/89/39/556858939.db2.gz AQMYEPLADSKICK-RVDMUPIBSA-N 0 2 432.274 3.555 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2)c1 ZINC000408807852 556861423 /nfs/dbraw/zinc/86/14/23/556861423.db2.gz HZDPEZBXPJIULO-KGENOOAVSA-N 0 2 428.444 3.941 40 10 IHCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408816882 556863924 /nfs/dbraw/zinc/86/39/24/556863924.db2.gz ZHLPCKSLPUJTGZ-FOWTUZBSSA-N 0 2 429.270 3.904 40 10 IHCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2O)C1=O ZINC000408899411 556881975 /nfs/dbraw/zinc/88/19/75/556881975.db2.gz PBKIZWYESHAWHA-JYRVWZFOSA-N 0 2 435.661 3.783 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 ZINC000408901330 556882567 /nfs/dbraw/zinc/88/25/67/556882567.db2.gz XFINDDNTEPRWEZ-GDNBJRDFSA-N 0 2 445.269 3.610 40 10 IHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCC3)cc2F)C1=O ZINC000409236661 557018573 /nfs/dbraw/zinc/01/85/73/557018573.db2.gz SVEHAHWBBRSYKU-NBVRZTHBSA-N 0 2 437.471 3.881 40 10 IHCBLN CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3occ(C)c3C)cc2)c(=O)[nH]1 ZINC000104090687 557320041 /nfs/dbraw/zinc/32/00/41/557320041.db2.gz FHUOFRNKDSACOY-DQRAZIAOSA-N 0 2 434.503 3.912 40 10 IHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CN=c3[nH]c4cc(C)c(C)cc4s3)C2=O)c(C)c1 ZINC000408532978 569583237 /nfs/dbraw/zinc/58/32/37/569583237.db2.gz NNTXCBMSWZMKGQ-MHWRWJLKSA-N 0 2 434.521 4.417 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cc(C)c(C)cc3Br)C2=O)cc1 ZINC000408536498 555772077 /nfs/dbraw/zinc/77/20/77/555772077.db2.gz WPEGVPSADSWQON-GDNBJRDFSA-N 0 2 444.285 3.653 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1 ZINC000408756763 556236454 /nfs/dbraw/zinc/23/64/54/556236454.db2.gz JIMRQGNBMJQRGV-HYARGMPZSA-N 0 2 444.491 3.863 40 10 IHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1O ZINC000408785257 556855596 /nfs/dbraw/zinc/85/55/96/556855596.db2.gz VJUIHONOYQVXGN-RIYZIHGNSA-N 0 2 445.269 3.528 40 10 IHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408802058 556858873 /nfs/dbraw/zinc/85/88/73/556858873.db2.gz CLTMWQWENAFGKN-KGENOOAVSA-N 0 2 443.415 3.840 40 10 IHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Br ZINC000408809474 556861945 /nfs/dbraw/zinc/86/19/45/556861945.db2.gz OBVZWIHBMDIPTJ-NTEUORMPSA-N 0 2 429.270 3.741 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(OC)cc3)C2=O)cc1 ZINC000408853364 556869793 /nfs/dbraw/zinc/86/97/93/556869793.db2.gz RNSAPSNSFIUHQG-RCCKNPSSSA-N 0 2 431.448 3.551 40 10 IHCBLN CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408875732 556876297 /nfs/dbraw/zinc/87/62/97/556876297.db2.gz HEHLCZXZORFBBG-LICLKQGHSA-N 0 2 429.270 3.823 40 10 IHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408888662 556878778 /nfs/dbraw/zinc/87/87/78/556878778.db2.gz YOKOPSKEEIWSRC-DEDYPNTBSA-N 0 2 432.407 3.777 40 10 IHCBLN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)o2)c1C ZINC000408911355 556888170 /nfs/dbraw/zinc/88/81/70/556888170.db2.gz NBPIAGGGAWKHTH-XDHOZWIPSA-N 0 2 448.406 3.847 40 10 IHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC ZINC000408982897 556908182 /nfs/dbraw/zinc/90/81/82/556908182.db2.gz IUDUJHSEIQFAHC-MLPAPPSSSA-N 0 2 435.263 3.985 40 10 IHCBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409102021 556956052 /nfs/dbraw/zinc/95/60/52/556956052.db2.gz ZXXKYEHTBSZHHI-XDHOZWIPSA-N 0 2 449.507 3.587 40 10 IHCBLN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000409223545 557017744 /nfs/dbraw/zinc/01/77/44/557017744.db2.gz ZZVKOPOTHLRQLU-KGENOOAVSA-N 0 2 433.508 3.969 40 10 IHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000409394352 557098499 /nfs/dbraw/zinc/09/84/99/557098499.db2.gz ZHBIVARMHVPOIJ-LFIBNONCSA-N 0 2 438.237 3.771 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N(C)C)o3)C2=O)cc1 ZINC000059104579 557814336 /nfs/dbraw/zinc/81/43/36/557814336.db2.gz MTSVPLNOWITWPC-MDWZMJQESA-N 0 2 434.246 3.623 40 10 IHCBLN Cc1ccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000033584424 569259470 /nfs/dbraw/zinc/25/94/70/569259470.db2.gz NYVNAGOSTHKPLI-MOSHPQCFSA-N 0 2 429.432 3.944 40 10 IHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 ZINC000002378815 132253277 /nfs/dbraw/zinc/25/32/77/132253277.db2.gz OHDYUYUHJDFJKN-FYJGNVAPSA-N 0 2 433.439 3.908 40 10 IHCBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1 ZINC000408527456 555717598 /nfs/dbraw/zinc/71/75/98/555717598.db2.gz DNVHLUGJQDHQJN-XNTDXEJSSA-N 0 2 444.285 3.653 40 10 IHCBLN CCn1c2cc(N=CC3C(=O)N(c4cccc(C)c4)N=C3C)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408529032 555722531 /nfs/dbraw/zinc/72/25/31/555722531.db2.gz GUFWAQCNFHRBNR-LGMDPLHJSA-N 0 2 448.483 3.778 40 10 IHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408536711 555765622 /nfs/dbraw/zinc/76/56/22/555765622.db2.gz XNXIICQDXMBIOJ-FMIVXFBMSA-N 0 2 433.251 3.590 40 10 IHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408804298 556860317 /nfs/dbraw/zinc/86/03/17/556860317.db2.gz XFLXWMCUNJLFNK-XSFVSMFZSA-N 0 2 443.415 3.840 40 10 IHCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408808449 556861636 /nfs/dbraw/zinc/86/16/36/556861636.db2.gz IXNKDNWEQQKGAN-XNTDXEJSSA-N 0 2 429.270 3.903 40 10 IHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408810598 556862056 /nfs/dbraw/zinc/86/20/56/556862056.db2.gz MJVBVMYCVONQPD-FYJGNVAPSA-N 0 2 443.415 3.840 40 10 IHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408817540 556864200 /nfs/dbraw/zinc/86/42/00/556864200.db2.gz VUFQSSGENIWIRF-CXUHLZMHSA-N 0 2 444.871 3.898 40 10 IHCBLN CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 ZINC000408882502 556878504 /nfs/dbraw/zinc/87/85/04/556878504.db2.gz OLNTZEVHSBHLCJ-MHWRWJLKSA-N 0 2 429.270 3.823 40 10 IHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 ZINC000408895196 556880662 /nfs/dbraw/zinc/88/06/62/556880662.db2.gz CWQWDCOAEKRVTE-YBEGLDIGSA-N 0 2 444.871 3.812 40 10 IHCBLN COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409049962 556932375 /nfs/dbraw/zinc/93/23/75/556932375.db2.gz RRYLPZCVZXGZTR-AWNIVKPZSA-N 0 2 436.207 3.577 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 ZINC000409240438 557021670 /nfs/dbraw/zinc/02/16/70/557021670.db2.gz KSMOBFDQCXVHDS-XSFVSMFZSA-N 0 2 430.464 3.554 40 10 IHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000409232194 557023976 /nfs/dbraw/zinc/02/39/76/557023976.db2.gz ORSMMDRZBKINSA-CIAFOILYSA-N 0 2 440.434 3.890 40 10 IHCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3OC)C2=O)c1 ZINC000409235584 557026464 /nfs/dbraw/zinc/02/64/64/557026464.db2.gz CFEBCPXACHOGFQ-KGENOOAVSA-N 0 2 449.507 3.751 40 10 IHCBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br ZINC000409389447 557100696 /nfs/dbraw/zinc/10/06/96/557100696.db2.gz BBMWMGZKVVAJEF-JXCQQFQQSA-N 0 2 444.285 3.688 40 10 IHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)c1 ZINC000059105092 557814569 /nfs/dbraw/zinc/81/45/69/557814569.db2.gz RMAPBMIXUFIUGY-XNTDXEJSSA-N 0 2 426.425 3.705 40 10 IHCBLN CN(C)c1ccc(/C=C/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001153456 132237609 /nfs/dbraw/zinc/23/76/09/132237609.db2.gz KPHRPHTVZBUTSU-ONCSWLTESA-N 0 2 440.297 3.738 40 10 IHCBLN Cc1cc(C)c(NC=C2C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)c([N+](=O)[O-])c1 ZINC000408526277 555715319 /nfs/dbraw/zinc/71/53/19/555715319.db2.gz APBZQCPWTLNZQK-SFQUDFHCSA-N 0 2 430.420 3.944 40 10 IHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3C)C2=O)c(C)c1 ZINC000408533179 555746347 /nfs/dbraw/zinc/74/63/47/555746347.db2.gz OEUQIYAMTYGKEI-XNTDXEJSSA-N 0 2 428.286 3.953 40 10 IHCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408800284 556858011 /nfs/dbraw/zinc/85/80/11/556858011.db2.gz LMWKWHKPQDGQLI-LFIBNONCSA-N 0 2 429.270 3.903 40 10 IHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1 ZINC000408808646 556861623 /nfs/dbraw/zinc/86/16/23/556861623.db2.gz QNERODKCIVPKCI-MHWRWJLKSA-N 0 2 444.871 3.812 40 10 IHCBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408817001 556863905 /nfs/dbraw/zinc/86/39/05/556863905.db2.gz SSNMSACVZGQZOA-OQLLNIDSSA-N 0 2 430.844 3.509 40 10 IHCBLN CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408819193 556864843 /nfs/dbraw/zinc/86/48/43/556864843.db2.gz WYWLEFGNOYWLMB-SFQUDFHCSA-N 0 2 442.855 3.582 40 10 IHCBLN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408901341 556882557 /nfs/dbraw/zinc/88/25/57/556882557.db2.gz XIGGJTOQFSYWEP-XSFVSMFZSA-N 0 2 434.883 3.863 40 10 IHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(I)cc3)C2=O)cc1 ZINC000408990225 556911179 /nfs/dbraw/zinc/91/11/79/556911179.db2.gz WGPZUJVVXDMFQU-WJDWOHSUSA-N 0 2 446.244 3.520 40 10 IHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409204696 557003142 /nfs/dbraw/zinc/00/31/42/557003142.db2.gz JLOKTESFHGQFPD-JHBOHYQCSA-N 0 2 441.915 3.912 40 10 IHCBLN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 ZINC000208192676 557078723 /nfs/dbraw/zinc/07/87/23/557078723.db2.gz SMXYVSBQCTZWMQ-YFEUJDIGSA-N 0 2 447.491 3.804 40 10 IHCBLN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccccc1Cl ZINC000112290071 557238867 /nfs/dbraw/zinc/23/88/67/557238867.db2.gz RQHBRVZYBUMRMO-UNOMPAQXSA-N 0 2 428.832 3.900 40 10 IHCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccccc1Cl ZINC000112290071 557238870 /nfs/dbraw/zinc/23/88/70/557238870.db2.gz RQHBRVZYBUMRMO-UNOMPAQXSA-N 0 2 428.832 3.900 40 10 IHCBLN O=C(NN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 ZINC000206913673 569261188 /nfs/dbraw/zinc/26/11/88/569261188.db2.gz GNHQQVFHRFLIHR-RIYZIHGNSA-N 0 2 435.870 3.500 40 10 IHCBLN