smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c1 2961356 CXGFRGHWOYLFHE-LDADJPATSA-N 419.955 4.937 10 50 HJCA O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C/c1cccs1 4754725 KPBNEDHXQOIWIK-HMMYKYKNSA-N 405.548 4.694 10 50 HJCA COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(O)cc3)C2=O)cc1OC 6216885 IAKHMPWQNQXCEO-KGENOOAVSA-N 414.461 4.552 10 50 HJCA CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)SC1=S 15856163 OTPQRRPWFUHGSZ-CXUHLZMHSA-N 420.899 4.658 10 50 HJCA CCOCc1cc(CN[C@@H](C)c2cnn(-c3ccc(OC)cc3)c2C)ccc1OC 11720650 LOIDWKFZEGHYQF-KRWDZBQOSA-N 409.530 4.585 10 50 HJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1 36153501 FTKWYCDIMDKEFW-XDHOZWIPSA-N 417.421 4.983 10 50 HJCA Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 15277350 WZFTWZSRWBWYHR-CIAFOILYSA-N 421.884 4.507 10 50 HJCA O=C1/C(=C/NCc2cccs2)C(c2ccccc2)=NN1c1nc2ccccc2s1 100617494 ZDOMZIBOUNSMKL-SAPNQHFASA-N 416.531 4.782 10 50 HJCA COc1ccccc1-c1cc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)on1 1506413698 LKDALXLBPIAXEX-UHFFFAOYSA-N 403.526 4.598 10 50 HJCA O=C(O)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1 9010395 OEADRPRJNCGXTH-MPGHIAIKSA-N 417.246 4.816 10 50 HJCA CCCCOc1ccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc1OCC 2811716 MFYFDSFSMNQHAX-HMMYKYKNSA-N 402.560 4.966 10 50 HJCA COc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc(Cl)c1O 1126154 PWXKTFBRUAKBDT-ATVHPVEESA-N 419.955 4.888 10 50 HJCA O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1COc2ccccc2O1 247812475 BCHLTZWNSYXZTH-UKILVPOCSA-N 411.457 4.591 10 50 HJCA COc1cc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)cc(OC)c1OC 1202429 OYCBIAUWJPZXNQ-YVLHZVERSA-N 418.902 4.757 10 50 HJCA CN(C)c1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 826369 NGZJVHNIXFZJDN-UHFFFAOYSA-N 402.410 4.721 10 50 HJCA CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 4747574 XORUVTKTHXDEIZ-GULXKOIASA-N 407.900 4.664 10 50 HJCA CCOc1cccc(CN(CC)C[C@@H]2CCCN(CCc3cccc(F)c3)C2)c1O 11948285 FLYMTCVMSKZLGD-NRFANRHFSA-N 414.565 4.707 10 50 HJCA CCCC1=NN2C(=N)/C(=C/c3ccccc3OCc3ccccc3F)C(=O)N=C2S1 15799422 HBUZOPJTSSJJBS-YXBAXSDQSA-N 422.485 4.824 10 50 HJCA COc1ccc([C@@H](NC(=O)COc2ccccc2)c2c(O)ccc3ccccc23)cc1 22238469 JGOWDMPJIABMQS-AREMUKBSSA-N 413.473 4.839 10 50 HJCA COc1ccc2c3c(n(-c4cccc5[nH]ccc45)c(=O)c2c1OC)-c1ccccc1C3=O 824764603 LYBRGIISLBWCEF-UHFFFAOYSA-N 422.440 4.701 10 50 HJCA biogenic COc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1 801016 RFCCQJJHFAITGH-DEOSSOPVSA-N 412.489 4.787 10 50 HJCA Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)no2)cc1 28292527 BERRPJWHFRHKRH-UHFFFAOYSA-N 412.493 4.958 10 50 HJCA COCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 4803306 APOXMVPDIUOWTD-GDNBJRDFSA-N 413.442 4.813 10 50 HJCA COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4871886 IWOKNNQLEHQLNO-UHFFFAOYSA-N 407.425 4.876 10 50 HJCA COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 1182275 FSZQHPSUFPVLDV-WJDWOHSUSA-N 402.277 4.866 10 50 HJCA CC[C@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)[C@@H](CC)CN1C(C)=O 1457224902 CDKIQRAKXHPHEP-OALUTQOASA-N 415.965 4.609 10 50 HJCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)cc1 1182167 NJYKKNVLHYXPBK-LDADJPATSA-N 414.527 4.754 10 50 HJCA Nc1c(Cl)cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1Br 824811 NHUOKXKNDCPYJY-UHFFFAOYSA-N 420.477 4.792 10 50 HJCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@@H]1c1ccc(Br)cc1 4658838 QOXYKTGEDLAAAB-RTBURBONSA-N 424.294 4.685 10 50 HJCA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)[C@H](C(=O)O)C1 3864114 BTGQOEKVRMUXOF-HZPDHXFCSA-N 419.543 4.578 10 50 HJCA Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c1 1218421 FBTTYWFOIYSDQV-AQTBWJFISA-N 410.564 4.842 10 50 HJCA Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F 1165860 RZLJDRJIQXAWLW-NDENLUEZSA-N 423.875 4.980 10 50 HJCA COc1ccc(CN2CCOc3c(cc(-c4ccc(C)cc4)cc3OC)C2)c(O)c1 55283460 CAJFXOXZFBIQFC-UHFFFAOYSA-N 405.494 4.779 10 50 HJCA CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2C)SC1=S 4525775 LOMOYWHRYRZNEU-WOJGMQOQSA-N 414.508 4.703 10 50 HJCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 35464033 SFSDWADAZQOLIY-LDADJPATSA-N 403.394 4.675 10 50 HJCA COc1ccc(OC)c(NC(=O)c2c(NCc3ccccn3)sc3c2CCCC3)c1 920885 WQWAZPJAWQGADX-UHFFFAOYSA-N 423.538 4.904 10 50 HJCA Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(F)c(Cl)c1 8426088 BPOFSONGPITYIF-JMIUGGIZSA-N 423.900 4.657 10 50 HJCA O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/C=C/c3ccco3)C2=O)ccc1Cl 8445238 SOXPXFNHPPANGT-AVFBQEPNSA-N 410.735 4.536 10 50 HJCA C[C@@H](COc1ccccc1)COc1ccc(Cl)cc1/C=C1/SC(=S)NC1=O 22241908 BSPFHQNFSXAHSY-SGPNVBEDSA-N 419.955 4.923 10 50 HJCA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C(=O)OC(C)C)C1 239377579 OCIKZZVAZLUVMG-RBSFLKMASA-N 421.559 4.658 10 50 HJCA COc1ccc(-c2c(C)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1OC 20231842 IINMZGISHVSUFF-HNNXBMFYSA-N 423.509 4.866 10 50 HJCA biogenic FC(F)(F)C1CCN(c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 263639952 PPOYNPRWDCMTLD-UHFFFAOYSA-N 417.519 4.783 10 50 HJCA COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2cccc([N+](=O)[O-])c2)cc1 847799 QZVIDDHYYUOZEJ-UHFFFAOYSA-N 405.454 4.637 10 50 HJCA CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 5019278 BNYXHXFAPPJMHG-FKKWJZCKSA-N 411.508 4.623 10 50 HJCA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCO[C@@H](c4ccccc4)C3)c12 253408771 LBEYQZHCKWRARA-JOCHJYFZSA-N 403.434 4.536 10 50 HJCA biogenic CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc(I)cc1 100370617 XHBGSYPDLDCOHU-LFIBNONCSA-N 419.291 4.811 10 50 HJCA COc1ccccc1C(=O)Nc1cccc(N2CCC(NCc3ccsc3)CC2)c1 299759764 OXNLICVQQWTFDA-UHFFFAOYSA-N 421.566 4.768 10 50 HJCA CCOc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 1138037 RRHZXSRNPFKHIF-DHDCSXOGSA-N 424.341 4.842 10 50 HJCA COC(=O)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1 4482823 ADGUPMZZNOUWPR-OQLLNIDSSA-N 407.875 4.672 10 50 HJCA O=C(C(=O)c1cc(Br)ccc1F)c1cc(Br)ccc1F 74937930 VWXKEIVVWRZVLY-UHFFFAOYSA-N 404.004 4.555 10 50 HJCA in-vitro CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)SC2=S)cc1 4754811 AQVCBVQXSZBNBK-WOJGMQOQSA-N 401.509 4.508 10 50 HJCA O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1COc2ccccc2O1 247812468 BCHLTZWNSYXZTH-NOZRDPDXSA-N 411.457 4.591 10 50 HJCA CCc1cc(C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cs1 5610996 GWUOOZHTRSXQAC-UHFFFAOYSA-N 406.551 4.852 10 50 HJCA Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2Cl)cc1 991638 ZXYYGRIENOQXDV-UHFFFAOYSA-N 407.809 4.940 10 50 HJCA O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 1206545 DWNOZBUTERYKHE-OVCLIPMQSA-N 424.316 4.656 10 50 HJCA Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(C)C)cc1 22289222 BMYUMSYBMSEGJS-UCQKPKSFSA-N 413.546 4.988 10 50 HJCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)nn(-c2cccc(Cl)c2)c1O 95276486 HTQMMHWWMFAMBE-UNOMPAQXSA-N 406.873 4.654 10 50 HJCA CCN1C(=O)/C(=C/c2ccccc2OCCOc2cc(C)cc(C)c2)SC1=S 2977677 PGYPXPULGIBGJC-ZHZULCJRSA-N 413.564 4.982 10 50 HJCA COc1ccc(C(=O)[C@H]2CCCN(Cc3c(O)ccc4ccccc34)C2)c(OC)c1 12072375 DHUQVYCEJLWCIF-SFHVURJKSA-N 405.494 4.658 10 50 HJCA COc1ccc2c3c(n(-c4ccc5cc[nH]c5c4)c(=O)c2c1OC)-c1ccccc1C3=O 824764538 CYQZJMBQJPIBRE-UHFFFAOYSA-N 422.440 4.701 10 50 HJCA biogenic COc1cccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c1 16667417 HXQAAMNQUODKBX-DHDCSXOGSA-N 406.326 4.864 10 50 HJCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1C[C@@H]1CCCO1 1187978 ZFUXTCMUHFVSLE-ADFUCPMPSA-N 405.928 4.980 10 50 HJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2cccc(Cl)c2)c1O 5342529 BXJICSPKQSEPNG-MTJSOVHGSA-N 420.900 4.963 10 50 HJCA CCc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 2873992 NRHSAIXJKKCQIC-HMMYKYKNSA-N 413.564 4.928 10 50 HJCA CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 5008812 ZTIJRMMOLJZIAQ-LDADJPATSA-N 401.509 4.508 10 50 HJCA O=C1/C(=C/Nc2cccc(Cl)c2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 100399636 GYCUEVWLSRNGMQ-NTEUORMPSA-N 410.739 4.509 10 50 HJCA CC(C)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4171974 OVHTXSKBEMIRAI-HXUWFJFHSA-N 407.470 4.834 10 50 HJCA COc1ccc(N2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)cc1 4682487 UWNJVIDNYMRGLX-UHFFFAOYSA-N 418.566 4.958 10 50 HJCA COc1ccc([C@H](NC(=O)COc2ccccc2)c2c(O)ccc3ccccc23)cc1 22238470 JGOWDMPJIABMQS-SANMLTNESA-N 413.473 4.839 10 50 HJCA CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)coc12 19790363 FNCVSHIMGVRYCU-UHFFFAOYSA-N 418.287 4.895 10 50 HJCA biogenic Oc1ccc(-c2nc3ccccc3s2)cc1CN1CCN(Cc2ccccc2)CC1 299783096 GRLMXHCNXHAAMQ-UHFFFAOYSA-N 415.562 4.987 10 50 HJCA Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)c1 1159620 RNFORXMUQLMEBO-DHDCSXOGSA-N 406.326 4.869 10 50 HJCA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1cccc([N+](=O)[O-])c1 100505318 SOGVFRJWAJIJTC-SIUCFOQUSA-N 406.427 4.593 10 50 HJCA Cc1cc(OCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)ccc1Cl 5102443 XFNVWXSFCRJKCG-BOPFTXTBSA-N 405.928 4.595 10 50 HJCA CC(C)CC1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 12285466 IZVCKWIRAHDBFB-AHSZANDNSA-N 423.454 4.520 10 50 HJCA CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(OC)ccc1OC 14009125 KPAQZJOKWVQATF-STZFKDTASA-N 421.493 4.588 10 50 HJCA COc1ccc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)cc1Cl 170594055 QNZDEPPVGLZALJ-UHFFFAOYSA-N 415.323 4.926 10 50 HJCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1O 5010082 MUWUSNBRCCEQFW-BKUYFWCQSA-N 400.482 4.618 10 50 HJCA CCOc1ccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)cc1CO 11879028 OLPZTKJBNJIRSC-JOCHJYFZSA-N 423.532 4.706 10 50 HJCA COc1ccccc1/C=C1\SC(=S)N(CNc2cccc(C(F)(F)F)c2)C1=O 334161172 VLWNQIQRSUUTTE-SXGWCWSVSA-N 424.469 4.985 10 50 HJCA Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)c1C 5094563 KFYALJVXHPZUNS-LDADJPATSA-N 414.527 4.673 10 50 HJCA O=C(CCC1CCN(Cc2ccccc2O)CC1)NCc1cccc(C(F)(F)F)c1 12313806 WCWQMHMUHIXFCH-UHFFFAOYSA-N 420.475 4.720 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCCCC2 17091911 LSRKKSQGFAMUAG-HOTGVXAUSA-N 419.543 4.579 10 50 HJCA COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2)cc1 1190777 HJOBOPNOMIGVKX-PXLXIMEGSA-N 414.461 4.547 10 50 HJCA O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1Cc1ccc2c(c1)OCO2 1160530 VFNWRAZNBNALJF-JAIQZWGSSA-N 405.500 4.970 10 50 HJCA COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2938751 KLOQFZMXYALGRI-PDGQHHTCSA-N 419.955 4.767 10 50 HJCA O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@H]2CC=C[C@@H]42)c1 239235756 WQAFVILMELQOJK-BSTKLLGTSA-N 404.897 6.143 10 50 HJCA COc1cc(Br)cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1O 996526 YZQBJASSZSVUTI-NVNXTCNLSA-N 404.285 4.533 10 50 HJCA CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 1209990 BHZLUNPEHBRJRL-AQTBWJFISA-N 413.524 4.847 10 50 HJCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1 16225834 GJBAOBVYYWQMNY-STZFKDTASA-N 412.445 4.770 10 50 HJCA COc1ccc(N/C(=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc2)c(OC)c1 100510023 YWTBZZFYOYZOJI-VHXPQNKSSA-N 413.477 4.950 10 50 HJCA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 27533916 GYQIRCYVGHOEPR-YFQSIASUSA-N 419.527 4.737 10 50 HJCA COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1cnn(C)c1 299772349 ZDKDRVPYUCKLBI-QFIPXVFZSA-N 409.555 4.989 10 50 HJCA O=C1NC(=S)S/C1=C\c1ccccc1OCCSc1ccc(Cl)cc1 13940148 VHSPTTIEGFILPQ-WJDWOHSUSA-N 407.969 5.000 10 50 HJCA CSc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 3771653 BBXKETWKGTYOSQ-FMIVXFBMSA-N 423.346 4.547 10 50 HJCA CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 100367679 BQRFQDDTVTXLFX-GXDHUFHOSA-N 417.288 4.877 10 50 HJCA CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)cc1 4794752 JVCMZXRFVCNIMR-NTCAYCPXSA-N 412.449 4.530 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)sc2c1CCCC2 4845001 HFTWIGHJFGNVIX-FCHUYYIVSA-N 403.544 4.528 10 50 HJCA CC(C)C1=NN2C(=N)/C(=C/c3ccccc3OCc3ccc(F)cc3)C(=O)N=C2S1 12382047 CQSXMXKEZIMSRZ-GLGSTRKCSA-N 422.485 4.680 10 50 HJCA CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)sc2c1CCCC2 100498044 SZVZGMCVCFVERM-LGMDPLHJSA-N 409.511 4.522 10 50 HJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 35337436 BZKQCNGEUIJYDH-XDHOZWIPSA-N 417.421 4.983 10 50 HJCA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1cccc([N+](=O)[O-])c1 100505314 SOGVFRJWAJIJTC-BFQBXFRASA-N 406.427 4.593 10 50 HJCA O=C1/C(=C/c2ccc([N+](=O)[O-])o2)SC(=S)N1c1ccc(Cl)cc1Cl 1159566 PCVMQQFIGPKEQD-WDZFZDKYSA-N 401.252 4.900 10 50 HJCA CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 16671802 SHQYLKNNPVPBCP-PDGQHHTCSA-N 401.509 4.508 10 50 HJCA CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(C)C 4844588 VIVKDSHRJLHGJX-UDWIEESQSA-N 422.481 4.624 10 50 HJCA CCN(CC)C(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 17991203 BXIJWQDAIHJJTO-JCMHNJIXSA-N 404.514 4.504 10 50 HJCA Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)c(C)c1 22228829 MZEGLZPUQITLQH-WQRHYEAKSA-N 419.955 4.903 10 50 HJCA CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(N(C)C)cc1 5063471 IBLAWGMJKROTLV-LJQANCHMSA-N 400.320 4.603 10 50 HJCA Cc1cccc(C)c1OCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 2878545 RZJLTNZPYSRULI-XMHGGMMESA-N 413.564 4.982 10 50 HJCA C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1 8672236 DODVOGUYLCMAHP-CYBMUJFWSA-N 421.522 4.589 10 50 HJCA Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 1126942 FBNMNSYSXPTXOC-STZFKDTASA-N 406.507 4.514 10 50 HJCA COCc1cc(CN[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)ccc1OC 15067425 PYEICMYXUSETCQ-HSZRJFAPSA-N 405.542 4.811 10 50 HJCA COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccc(OC)c(OC)c2)cc1 847802 DTCYGLHLFFMDSP-UHFFFAOYSA-N 420.509 4.746 10 50 HJCA CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 1893586 VOMNIWDHOTVOLJ-UNOMPAQXSA-N 412.536 4.667 10 50 HJCA COCc1cc(CN[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)ccc1OC 15067426 PYEICMYXUSETCQ-QHCPKHFHSA-N 405.542 4.811 10 50 HJCA CCOc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3c(F)cccc3F)C2)c1O 42986327 WINVFDPJCYHEFQ-HNNXBMFYSA-N 413.468 4.839 10 50 HJCA COc1ccccc1N1C(=O)/C(=C/c2ccc3c4c(cccc24)CC3)C(O)=NC1=S 1146633 MJCYPFHCYCQBTG-QGOAFFKASA-N 414.486 4.619 10 50 HJCA CCCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 12436747 WZCZXWQICFMLCN-XLNRJJMWSA-N 421.566 4.576 10 50 HJCA COc1ccc(Oc2ccc(-n3c(C)cc(C(=S)N4CCOCC4)c3C)cc2)cc1 1146752 JZLLNBXNDROQQV-UHFFFAOYSA-N 422.550 4.903 10 50 HJCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 686938 XKUJYLVQVCUMFI-VZUCSPMQSA-N 402.064 4.762 10 50 HJCA CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 648394 YLIPNNVRBGXUEX-LJQANCHMSA-N 423.340 4.508 10 50 HJCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@H]1c1ccc(Br)cc1 4658681 QOXYKTGEDLAAAB-RBUKOAKNSA-N 424.294 4.685 10 50 HJCA CCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 1190925 YLOLKTXMUNXLQR-FQEVSTJZSA-N 407.543 5.000 10 50 HJCA COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccccc1Cl 1204995 WPNILUJMNWDWOH-YVLHZVERSA-N 405.928 4.759 10 50 HJCA CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 16116165 XXTAPFYQFSIHGV-JMIUGGIZSA-N 416.308 4.636 10 50 HJCA CCc1cc(C)cc(OCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 5112929 AMWSIAOLYPSAII-XSFVSMFZSA-N 413.564 4.846 10 50 HJCA CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 22065029 MGVKOVIAUSMFLI-BKUYFWCQSA-N 421.493 4.588 10 50 HJCA COc1ccc(O)c(CN2CCOc3c(cc(-c4ccc(C)cc4)cc3OC)C2)c1 14991416 KYAQBTRMNJDGLL-UHFFFAOYSA-N 405.494 4.779 10 50 HJCA CCC[C@@H]1[C@H]2CC=C[C@@H]2c2cc(C(=O)O)ccc2N1C(=O)c1cccc([N+](=O)[O-])c1 4020267 CJMUHABNGJWYRR-CMKODMSKSA-N 406.438 4.782 10 50 HJCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)ccc1OC(C)C 217678225 MXZBXYIXNBPZSI-UHFFFAOYSA-N 405.410 4.731 10 50 HJCA biogenic Cc1ccc(Oc2cc(N3CCOCC3)c3c4c(onc24)-c2ccccc2C3=O)cc1 1430623 HTIYVVMMEYMKSV-UHFFFAOYSA-N 412.445 4.977 10 50 HJCA O=C(O)c1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 2990638 PKUJNGORRVWSJX-RIYZIHGNSA-N 409.410 4.809 10 50 HJCA CCn1cc(/C=C2/C(=O)N(c3ccccc3Cl)C(=S)N=C2O)c2ccccc21 9013793 OCEMBFFPOVGQML-RVDMUPIBSA-N 409.898 4.986 10 50 HJCA CCOC(=O)c1ccc(NC(=S)Nc2ccccc2C(=O)c2ccccc2)cc1 2856260 USDPDHQEZIGEDN-UHFFFAOYSA-N 404.491 4.903 10 50 HJCA CCc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1 2878244 YYMZNQLELZQECX-HMMYKYKNSA-N 413.564 4.928 10 50 HJCA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(C(=O)O)c1 100358979 ZIBOVHHISUDXCF-IUBFCHALSA-N 419.466 4.692 10 50 HJCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2C)c1O 830768 XUDYNYPYOQKSOS-PDGQHHTCSA-N 406.873 4.654 10 50 HJCA O=C(C[C@H](Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(=O)O)c1ccccc1 4145950 XMSLTHISAKVCBH-FQEVSTJZSA-N 407.853 4.709 10 50 HJCA CN(C)c1ccc(/C=C/CN2CCC(O)(c3ccc(Br)cc3)CC2)cc1 23281781 XSQQMGSQMVQGIX-ONEGZZNKSA-N 415.375 4.512 10 50 HJCA N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 7018017 JDZHKVIJYNEDOV-XKVLWOBQSA-N 416.437 4.753 10 50 HJCA Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccccc3OC(C)C)S2)CC1 12463085 ITVPHKDTVWROJV-CJLVFECKSA-N 421.566 4.575 10 50 HJCA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCO[C@H](c4ccccc4)C3)c12 253408772 LBEYQZHCKWRARA-QFIPXVFZSA-N 403.434 4.536 10 50 HJCA biogenic CCOC(=O)c1cccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c1 1149459 LISWBBGZUFFOJT-WQRHYEAKSA-N 408.504 4.750 10 50 HJCA Cc1cc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)ccc1Cl 15800334 UXFRXACVMGSUCJ-BOPFTXTBSA-N 405.928 4.595 10 50 HJCA O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 1133740 DWQNBUABMDSRBD-WQRHYEAKSA-N 403.488 4.774 10 50 HJCA CCC[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(C(=O)O)ccc2N1C(=O)c1cccc([N+](=O)[O-])c1 4020265 CJMUHABNGJWYRR-NLWGTHIKSA-N 406.438 4.782 10 50 HJCA Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 5555266 TTZPPSRGIWTSEF-FOWTUZBSSA-N 402.566 4.677 10 50 HJCA CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCc2cccc3ccccc23)S1 6158700 WBIODUWVVYKGOE-BKUYFWCQSA-N 402.475 4.525 10 50 HJCA CCOc1ccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)cc1CO 11879029 OLPZTKJBNJIRSC-QFIPXVFZSA-N 423.532 4.706 10 50 HJCA CCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2688805 GRBDRKCZFJJKMY-HNENSFHCSA-N 408.548 4.605 10 50 HJCA COc1cc2c(cc1/C=C1\SC(=S)N(CCC3CCCCC3)C1=O)OCO2 15011200 RIIFQNYYBYJSHP-ZDLGFXPLSA-N 405.541 4.596 10 50 HJCA COc1ccccc1[C@H](NC(=O)c1cccnc1)c1cc(Cl)c2cccnc2c1O 15821772 CWQRAWGQWUDFJL-FQEVSTJZSA-N 419.868 4.517 10 50 HJCA biogenic O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 1271145 VZDIEMVRQWTFKY-XNTDXEJSSA-N 407.900 4.666 10 50 HJCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccnc1 4747575 KKTHEXQTWNABKT-FOWTUZBSSA-N 417.581 4.543 10 50 HJCA CCc1ccc(N2N=C(C)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc1 5046732 BBNFJENMWFJVIU-CXUHLZMHSA-N 415.287 4.532 10 50 HJCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1 101720837 LKYIZZBYPIXQLC-SFQUDFHCSA-N 406.825 4.958 10 50 HJCA O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 2982510 STAVCKJUZJHUBO-CPNJWEJPSA-N 419.824 4.788 10 50 HJCA COc1ccc(NC(=O)c2c(NCc3cccnc3)sc3c2CCC3)c(OC)c1 798210 MFTOUALVUUXTEU-UHFFFAOYSA-N 409.511 4.513 10 50 HJCA Cn1c(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)nnc1C1CCC1 782903469 WBEAZVUOBKZGBP-UHFFFAOYSA-N 407.465 4.801 10 50 HJCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 13810067 IFJUTZZQGNZYGX-UYRXBGFRSA-N 410.564 4.842 10 50 HJCA CCc1cc(C)cc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 2964094 NWNVDAQFRJEWEA-XSFVSMFZSA-N 413.564 4.846 10 50 HJCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1 2307480 WKYZONUJRJWSBM-UYRXBGFRSA-N 421.547 4.817 10 50 HJCA N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 8721695 PUHQRXJERSQIIE-UPZHSFEJSA-N 424.791 4.781 10 50 HJCA FC(F)(F)Cn1ccnc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 727744617 UJZRYFPSHTUUIY-INIZCTEOSA-N 422.476 4.780 10 50 HJCA COc1ccc(Br)cc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 1195145 ZKQGMVCONVFGQT-MHWRWJLKSA-N 420.353 4.859 10 50 HJCA COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc2c1=O 19790368 ZDQICKRKULYNGS-UHFFFAOYSA-N 419.399 4.789 10 50 HJCA biogenic O=C(O)CCCCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 2933888 HMTBWHFPCMOWNX-LCYFTJDESA-N 404.340 4.840 10 50 HJCA O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1)c1ccccc1 16267712 PMDIGHNMBZUWCK-UYRXBGFRSA-N 421.499 4.900 10 50 HJCA Cc1cc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)ccc1Cl 22257345 RUHUWQTXFYNFOA-LDADJPATSA-N 419.955 4.985 10 50 HJCA CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 5258921 QAOGLVULFCHBNL-LDADJPATSA-N 409.511 4.900 10 50 HJCA O=C1C(=CNc2cccc(F)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 6974494 BDIJQUFKYALMED-UHFFFAOYSA-N 413.493 4.578 10 50 HJCA Nc1cc2c(O)c3cc(Cl)cc(Cl)c3nc2c2c1C(=O)c1ccccc1C2=O 3833671 MYGRGVSSKMUCSX-UHFFFAOYSA-N 409.228 4.758 10 50 HJCA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(O)c(OC)c1 15010989 DSCZULPEOTUPDS-GDNBJRDFSA-N 415.287 4.750 10 50 HJCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 16729778 UOYSKZCUVBSZOB-VXPUYCOJSA-N 422.575 4.769 10 50 HJCA O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 2992492 PMADITKBVODKSF-QFIPXVFZSA-N 405.910 4.738 10 50 HJCA in-vitro CCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc1OC 1166410 ABNVLGIWXKACRW-GZTJUZNOSA-N 415.287 4.663 10 50 HJCA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1cccc(Br)c1 15658945 FIIRZYXKAVKMJA-ZSOIEALJSA-N 419.662 4.607 10 50 HJCA COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)ccc1O 4951934 QWIMSIDWHDCZFF-LGMDPLHJSA-N 404.853 4.889 10 50 HJCA Cc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)cc(C)c1OCc1ccccn1 206514961 MSUHOWQMLMIQPV-DEDYPNTBSA-N 407.539 4.780 10 50 HJCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@@H]1CC=C[C@H]21 239274881 AVJMLGPBLBABFW-VSALZBCGSA-N 415.508 5.897 10 50 HJCA O=C(O)c1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 13614550 DVMVUFZRIJUMEG-ZSOIEALJSA-N 409.410 4.809 10 50 HJCA Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c1 2982331 VDVWQNLDOXFXFD-CPNJWEJPSA-N 405.841 4.946 10 50 HJCA COc1ccc(C(=O)[C@@H]2CCCN(Cc3c(O)ccc4ccccc34)C2)c(OC)c1 12072374 DHUQVYCEJLWCIF-GOSISDBHSA-N 405.494 4.658 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCCCC2 17091912 LSRKKSQGFAMUAG-HZPDHXFCSA-N 419.543 4.579 10 50 HJCA Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 12372471 ZEUPCDQUEIDEAX-UHFFFAOYSA-N 420.808 4.584 10 50 HJCA O=C(O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 966859 JIMHYXZZCWVCMI-ZSOIEALJSA-N 409.410 4.809 10 50 HJCA in-vitro Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c1C 1217734 VMZIFQVPUKQRAI-WJDWOHSUSA-N 402.566 4.595 10 50 HJCA O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1C[C@@H]1CCCO1 15684507 ZFUXTCMUHFVSLE-HAKPAVFJSA-N 405.928 4.980 10 50 HJCA O=C(Nc1nc(-c2ccc(O)c(O)c2)c(-c2ccccc2)s1)c1ccc(O)c(O)c1 147082552 LGGDLPSXAGQFSG-UHFFFAOYSA-N 420.446 4.552 10 50 HJCA CC[C@@H](C1=NN2C(=N)/C(=C\c3ccc(N(C)C)cc3)C(=O)N=C2S1)c1ccccc1 4917453 PGQMFJWNNWOOPF-GUMHWMFTSA-N 417.538 4.566 10 50 HJCA CCOc1ccc(Cl)cc1/C=C1\C(=N)N2N=C(c3cccc(C)c3)SC2=NC1=O 6270438 PTXCERJADDQMTQ-UHHWSGGGSA-N 424.913 4.715 10 50 HJCA Cc1cccc(OCCn2cc(/C=C3/SC(=S)N(C)C3=O)c3ccccc32)c1 1190832 MTRFWYJEPQYJDL-DEDYPNTBSA-N 408.548 4.860 10 50 HJCA Cc1ccc2nc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)sc2c1 1777508 QABCXMMNFWBFAU-UHFFFAOYSA-N 400.459 4.923 10 50 HJCA Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)c(C)c1 5093774 BVHMAIVLTXYQIN-LDADJPATSA-N 414.527 4.673 10 50 HJCA O=C(CSc1cccc2cccnc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 15587711 NWNUSWQMLYVTQX-UHFFFAOYSA-N 424.481 4.741 10 50 HJCA C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)C[C@@H](C)O1 5093325 RRYSTCATLXOMHY-ZDDMZOBVSA-N 402.903 4.680 10 50 HJCA COc1ccccc1/C=C1/SC(=S)N(CNc2ccc(C)c(Cl)c2)C1=O 13550586 FGVNYQYQOQYUGN-RQZCQDPDSA-N 404.944 4.928 10 50 HJCA O=C1NC(=S)S/C1=C/c1ccccc1OCCCOc1ccc(Cl)cc1 2856487 CTTCDDKMPHBECC-SFQUDFHCSA-N 405.928 4.677 10 50 HJCA CCOc1cccc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c1O 13545285 PNTBUADRDKJBID-INIZCTEOSA-N 407.432 4.905 10 50 HJCA CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 1174711 ZWUNASQGSQPNQO-UHFFFAOYSA-N 412.445 4.669 10 50 HJCA COc1cc(/C=C2/SC(N3CCCCCC3)=NC2=O)ccc1OCCC(C)C 2375723 ITZYFFXASSEWCU-HMMYKYKNSA-N 402.560 4.966 10 50 HJCA CC(C)CC1=NN2C(=N)/C(=C/c3cccc(OCc4ccccc4)c3)C(=O)N=C2S1 4803705 QYTFMFLMLHOUNO-YNUQAMOLSA-N 418.522 4.931 10 50 HJCA O=C1N=C(Nc2ccc(O)cc2)S/C1=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1 100671565 BNZRAPSQNTXVJJ-VOANPMSRSA-N 401.831 4.506 10 50 HJCA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1c(F)cccc1Cl 1152139 SFUSUXWTKWNKKX-LZYBPNLTSA-N 409.891 4.556 10 50 HJCA Cc1cccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1C 2874205 BMZBFXIFHAIPEY-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2ccc(C)cc2)cc1 16115334 WRWRHVXRRRHDEH-JCMHNJIXSA-N 413.433 4.746 10 50 HJCA Cc1ncc2n1CC[C@@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc3ccccc13)C2 1875259955 VNNWILGXEAZTDY-NLFFAJNJSA-N 411.505 4.519 10 50 HJCA O=C1c2ccccc2C(=O)c2c1cccc2N(Cc1ccccc1)C(=O)C(F)(F)F 5101286 YRVICTAHTOCZCF-UHFFFAOYSA-N 409.363 4.558 10 50 HJCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 843323 KTLFPJFQSWYVNN-LDADJPATSA-N 417.377 4.670 10 50 HJCA O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1Cc1ccco1 13573620 HQIGGZRDFJYLDW-LICLKQGHSA-N 412.448 4.849 10 50 HJCA COc1ccc(CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1OC 1045061 UBFSTPJGTWJVAS-PDGQHHTCSA-N 419.955 4.801 10 50 HJCA CC(=O)Oc1ccc2ccccc2c1[C@@H](NC(=O)C(C)C)c1ccc(N(C)C)cc1 855821 FHZGEMZOPHROCV-DEOSSOPVSA-N 404.510 4.693 10 50 HJCA CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc1 4620877 JLIODAKZRJESPF-FBIWUZAXSA-N 417.538 4.509 10 50 HJCA O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=S)N1CCc1ccccc1 1167480 RFEDXJXISZOWFY-MFOYZWKCSA-N 403.912 4.513 10 50 HJCA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)o1 15722900 BVJNGWZNCPYMFE-PDGQHHTCSA-N 417.377 4.670 10 50 HJCA Cc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1cccnc1 15011930 CGDWDMOEBCWSIM-UDWIEESQSA-N 405.548 4.891 10 50 HJCA Cc1ccc(C)c(OCCn2cc(/C=C3\SC(=S)NC3=O)c3ccccc32)c1 15800574 FPKRHBFUEPEGIL-NDENLUEZSA-N 408.548 4.826 10 50 HJCA COc1cccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1OC 1168684 DZMFHJPABQQSBW-QFIPXVFZSA-N 401.466 4.863 10 50 HJCA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1c(F)cccc1Cl 16225408 JAJPQFRXTSZKMX-MFOYZWKCSA-N 423.918 4.946 10 50 HJCA CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)c1ccco1 13125720 KDODKHPWPUVORU-XMHGGMMESA-N 416.433 4.704 10 50 HJCA Cc1cc2c(cc1C)C(=O)[C@@H]1C[C@H]3C(=O)c4cc(C)c(C)cc4C(=O)[C@@H]3C[C@@H]1C2=O 101094155 UDIRYGOAIRBKNW-YSFYHYPLSA-N 400.474 4.637 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCC2 2765238 INLYLINKPDKDEZ-GJZGRUSLSA-N 419.543 4.579 10 50 HJCA COc1ccc(OC)c(NC(=O)c2c(NCc3cccnc3)sc3c2CCC3)c1 1152172 CEKZODOBPUMQEX-UHFFFAOYSA-N 409.511 4.513 10 50 HJCA O=C(O)CN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=S 2830554 MLOAJONWALNFPT-OQLLNIDSSA-N 421.952 4.777 10 50 HJCA O=C(O)CCc1ccc(-c2ccccc2)n1CC(=O)Nc1cccc(C(F)(F)F)c1 1051436 MLOFQVGKXRFOIB-UHFFFAOYSA-N 416.399 4.830 10 50 HJCA O=C1C(=Cc2c[nH]c3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 1506182 FRAJCKWDFFXCTG-UHFFFAOYSA-N 423.497 4.916 10 50 HJCA biogenic COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(C(C)C)c2)cc1 1155886 GOLTWQZNGGRCST-UHFFFAOYSA-N 406.504 4.618 10 50 HJCA COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(OC)cc2)cc1 1213502 PXNGKQBAFKQRFQ-PXLXIMEGSA-N 402.425 4.677 10 50 HJCA COc1ccc(O)c(CN(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)c1 12205902 IRBSOAQUNMNREX-QFIPXVFZSA-N 423.601 4.843 10 50 HJCA COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 169681520 FASNEEZZSIEOSE-AVRDEDQJSA-N 407.857 4.692 10 50 HJCA CCn1c(/C=C2/C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O 32618000 PHHFNZFIPPGQFV-LTGZKZEYSA-N 407.473 4.504 10 50 HJCA O=C(Oc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1)c1ccco1 13573982 CVCSUQKXXAAHNH-QGOAFFKASA-N 407.472 4.905 10 50 HJCA C[C@@H]1CCCN(c2ccc(CNc3ncnc4[nH]c(C(F)(F)F)nc34)cc2Cl)C1 1875335038 QHNOLTLVPJJUPP-LLVKDONJSA-N 424.858 4.874 10 50 HJCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 1916901 PHARQFMHEBRBHX-MDWZMJQESA-N 404.340 4.840 10 50 HJCA Oc1ccc2ccccc2c1CNc1nc2ccccc2n1CCN1CCCCC1 4618666 DQWHCOXMAXWGGV-UHFFFAOYSA-N 400.526 4.993 10 50 HJCA CCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 1158241 VZEFETGISLDNBK-NRFANRHFSA-N 407.470 4.978 10 50 HJCA O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1Cc1ccco1 1188033 HQIGGZRDFJYLDW-YVLHZVERSA-N 412.448 4.849 10 50 HJCA Cc1cc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)ccc1Cl 22229167 IXISVJWOWJKFPZ-PDGQHHTCSA-N 419.955 4.937 10 50 HJCA CCOc1cc(Br)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 16183200 HUQJSKYICNYFCS-YBEGLDIGSA-N 415.287 4.663 10 50 HJCA CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 1190838 SHQYLKNNPVPBCP-LDADJPATSA-N 401.509 4.508 10 50 HJCA CN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3Cl)c2)SC1=S 2978360 UIZMWUQYOPNBPV-ATVHPVEESA-N 405.928 4.629 10 50 HJCA O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 6997626 CTIPQNKZAFRNJJ-GDNBJRDFSA-N 417.223 4.854 10 50 HJCA COCc1cc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)ccc1OC 11879395 BWPSYYGZBOKNGL-JOCHJYFZSA-N 423.532 4.970 10 50 HJCA O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)c1ccccc1 13534033 PTFKXLKBMVOQEA-RIYZIHGNSA-N 409.319 4.540 10 50 HJCA Cc1cccc(C)c1OCCn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21 15800212 ZIUJLNQSWKRUIS-UNOMPAQXSA-N 408.548 4.826 10 50 HJCA Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1C 5093370 UFLVUELUFNMCSA-SFQUDFHCSA-N 416.593 4.985 10 50 HJCA COCc1cc(CN[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)ccc1OC 12431620 PFFKEUBLOHGIMN-HSZRJFAPSA-N 405.542 4.811 10 50 HJCA O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)o2)c1 16267715 MBQWDDBCONADJY-YVLHZVERSA-N 411.460 4.639 10 50 HJCA COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Br)cc2)cc1 1151553 JHSNJSCMBSFJOY-UHFFFAOYSA-N 400.272 4.933 10 50 HJCA Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1 939660 OWTWZYKWGCTZMB-UHFFFAOYSA-N 407.495 4.661 10 50 HJCA aggregator CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 9428601 IVYQGCRDYFUCDJ-UYRXBGFRSA-N 420.852 4.829 10 50 HJCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)cc1 1218213 PDLGVVFVYPSVFB-RVDMUPIBSA-N 406.529 4.507 10 50 HJCA COc1ccc(CCN2C(=O)/C(=C/c3sccc3C)SC2=S)cc1OC 1191411 IZTYOPRYJUSYNG-BOPFTXTBSA-N 405.566 4.518 10 50 HJCA COc1ccc(O)c(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)c1 12205910 IRBSOAQUNMNREX-JOCHJYFZSA-N 423.601 4.843 10 50 HJCA CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC(C)C)C1=O 15011087 MDOSIITUCVHYAO-ZSOIEALJSA-N 400.363 4.705 10 50 HJCA CCOC(=O)c1c(CC(C)C)csc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 100508170 XZOGTBCMDDOXLU-LDADJPATSA-N 411.527 4.842 10 50 HJCA CCN(CCOC(C)=O)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 71767098 ISJKZHTYUPOZRU-UHFFFAOYSA-N 413.905 4.722 10 50 HJCA Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)cc1 665103 HIKPJZYUOXUJPL-UDWIEESQSA-N 405.910 4.518 10 50 HJCA O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc12 13943410 SGXJSZMVNMCGPW-WOJGMQOQSA-N 408.460 4.859 10 50 HJCA COc1cc(CNCc2cc(-c3nc4ccccc4s3)ccc2O)cc(OC)c1 299802829 WXFJLEHDKFYVRC-UHFFFAOYSA-N 406.507 4.976 10 50 HJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2cccc(C)c2)c1O 4646452 ZIBHMEOKOOPISH-XKZIYDEJSA-N 400.482 4.618 10 50 HJCA CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 4758610 IPWWKPGJZXEJRA-PBOWYIGHSA-N 405.527 4.686 10 50 HJCA O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CCc1ccccc1 33323431 GXWQQVSVSHIJRE-FOWTUZBSSA-N 404.354 4.893 10 50 HJCA CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 1216792 AYPVJFNAJPFUJN-MHWRWJLKSA-N 415.287 4.663 10 50 HJCA COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCc1c(F)cccc1Cl 15012088 DLXQNMWCJSSCEJ-RQZCQDPDSA-N 423.918 4.898 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCCCC2 17091910 LSRKKSQGFAMUAG-CVEARBPZSA-N 419.543 4.579 10 50 HJCA CCOC(=O)c1ccc(NC(=O)c2c(NCc3cccnc3)sc3c2CCC3)cc1 920850 UAMWKTFCQJLPEJ-UHFFFAOYSA-N 421.522 4.673 10 50 HJCA Cc1cccc(C)c1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O 22229108 MRHIAKFMVCVMBX-BOPFTXTBSA-N 419.955 4.903 10 50 HJCA CCN1C(=O)/C(=C/c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)SC1=S 6353502 KGBARTDYUZBNJI-UNOMPAQXSA-N 419.531 4.708 10 50 HJCA COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccc(C)cc2)cc1OC 5041333 JESPJKLHTPFJQN-NRFANRHFSA-N 416.477 4.709 10 50 HJCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1F 1198285 UCTPPAMFXOGWSC-OVCLIPMQSA-N 409.891 4.556 10 50 HJCA CCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1 4149049 UBXVEORGGYZAAZ-UHFFFAOYSA-N 405.590 4.981 10 50 HJCA COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1 847796 ABJNNXAXXJLGEN-UHFFFAOYSA-N 405.454 4.637 10 50 HJCA O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1cccc(Cl)c1 1230964 DSWUDHDAZNYZAG-ZSOIEALJSA-N 409.319 4.540 10 50 HJCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 1180413 SJTKFNIPDIKYAQ-XDHOZWIPSA-N 410.564 4.706 10 50 HJCA CC/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCCCC1 1199651 KKOPVQHZENCQRV-FYWRMAATSA-N 408.449 4.711 10 50 HJCA CCN(CC)c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(O)c1 15010712 RUFJEYZPOYCTON-ZHZULCJRSA-N 412.580 4.682 10 50 HJCA CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1457224899 CDKIQRAKXHPHEP-MOPGFXCFSA-N 415.965 4.609 10 50 HJCA COc1ccc(C=CC=C2C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C)cc1 2041576658 XUJDLMVIZGWRIA-UHFFFAOYSA-N 404.363 4.922 10 50 HJCA CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)N(CC)c3ccccc32)SC1=S 2375654 GDNRDBARUZHAEV-DNZUHHBVSA-N 402.585 4.841 10 50 HJCA CCCOc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1OCC 16713549 CEFHRCJBEVVUMK-PDGQHHTCSA-N 403.525 4.869 10 50 HJCA CCN1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1 21673371 NGAPBLRRJSKIRT-NRFANRHFSA-N 415.459 4.686 10 50 HJCA CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCC[C@@H](C)C2)c1O 1308552 IZHHXDOFPJSZLO-OAHLLOKOSA-N 417.509 4.836 10 50 HJCA COc1ccccc1[C@H](NC(=O)COc1ccccc1)c1c(O)ccc2ccccc12 2979843 NDJJBEZDTMCNPM-SANMLTNESA-N 413.473 4.839 10 50 HJCA COc1ccccc1[C@@H](NC(=O)COc1ccccc1)c1c(O)ccc2ccccc12 2979844 NDJJBEZDTMCNPM-AREMUKBSSA-N 413.473 4.839 10 50 HJCA CC(=O)Nc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@@H]1CC=C[C@H]21 239377553 OCAQUMHHLFCGJZ-VSALZBCGSA-N 400.497 5.678 10 50 HJCA Cc1ccccc1NC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 3189161 JUXCLWRRMMLNKV-UHFFFAOYSA-N 413.502 4.656 10 50 HJCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(C(C)C)C3=O)c3ccccc32)cc1 16729770 BLJQDEJMRPHLNC-HNENSFHCSA-N 408.548 4.522 10 50 HJCA COc1ccccc1-c1coc2c(CN(C)Cc3ccccc3)c(O)ccc2c1=O 19790400 HCPBGZMYLZZUON-UHFFFAOYSA-N 401.462 4.806 10 50 HJCA biogenic CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)SC1=S 1163018 RAWZKHDYAMMPPF-WQRHYEAKSA-N 403.500 4.634 10 50 HJCA Cc1ccc(N2C(=O)C[C@@H](C(=O)N(C)Cc3ccccc3O)[C@H]2c2cccs2)cc1 170623466 OHFAGAVFMWGASU-XXBNENTESA-N 420.534 4.515 10 50 HJCA COc1ccc(-c2csc(N3N=C(C)/C(=C\c4ccc(N(C)C)cc4)C3=O)n2)cc1 100559650 MVGIFNDOLCUVMO-DEDYPNTBSA-N 418.522 4.691 10 50 HJCA Cc1ccc(N2CCN(C(=S)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 1213774 KQEPHXNLAPKZRX-UHFFFAOYSA-N 407.495 4.661 10 50 HJCA O=C1NC(=S)S/C1=C/c1cccc(OCCCOc2ccccc2Cl)c1 2878617 CPVWMFFCBLXUMN-SFQUDFHCSA-N 405.928 4.677 10 50 HJCA CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc21 16213294 RHGXKIZXXCGMQJ-DEDYPNTBSA-N 417.534 4.616 10 50 HJCA Cc1ccc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 1215884 NCHMOZPLHGFKKX-UHFFFAOYSA-N 411.461 4.928 10 50 HJCA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(C(=O)O)c1 100358985 ZIBOVHHISUDXCF-FTGFMQHASA-N 419.466 4.692 10 50 HJCA CCc1cc(C)cc(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 16161213 SDVITKKBCZKKQM-XSFVSMFZSA-N 413.564 4.846 10 50 HJCA C[C@H](NC1(CN[C@H](C)c2cccc(C(F)(F)F)c2O)CCOCC1)c1ccccc1 242389687 ZZPBDEILIIAQND-DLBZAZTESA-N 422.491 4.962 10 50 HJCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)o1 5024180 ILSDOFCTWMIQFY-DEDYPNTBSA-N 417.421 4.978 10 50 HJCA N=C1/C(=C/c2cccc(Br)c2)C(=O)N=C2SC(C3CCCCC3)=NN12 9425673 KNQHBJJEFLAKSZ-UKMRQWHXSA-N 417.332 4.649 10 50 HJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 146467177 ZTCFLIAQZSENEG-UFYHVXEKSA-N 414.255 4.703 10 50 HJCA O=C(OCCC1(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 629253 TZTCWEFUTSEXQG-UHFFFAOYSA-N 404.849 4.904 10 50 HJCA O=C(O)CN1C(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC1=S 2188989 WPYVSDABZGXBEF-OQLLNIDSSA-N 421.952 4.777 10 50 HJCA COc1cc(Br)c(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC 5024109 YGLIZPGFARHITB-CXUHLZMHSA-N 415.287 4.581 10 50 HJCA CN(C)c1ccc(CNC(=O)N2CCC(c3cccc4cnccc34)CC2)cc1F 1875264059 ZMCBLDFFQARZDL-UHFFFAOYSA-N 406.505 4.529 10 50 HJCA Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)cc3)n2)cc1 1201043 PMKUKGRPSJCREC-UHFFFAOYSA-N 409.330 4.682 10 50 HJCA CCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 2918724 XZOAGOIWZKELLD-FQEVSTJZSA-N 407.543 5.000 10 50 HJCA Cc1ccc(N2C(=O)C[C@@H](C(=O)N(C)Cc3ccccc3O)[C@@H]2c2cccs2)cc1 170623467 OHFAGAVFMWGASU-AUSIDOKSSA-N 420.534 4.515 10 50 HJCA COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1777592 VCFBDROIWLHRRM-UHFFFAOYSA-N 407.853 4.975 10 50 HJCA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)C1 3864113 BTGQOEKVRMUXOF-JKSUJKDBSA-N 419.543 4.578 10 50 HJCA COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OC 1216086 MRGKEQVAKSNOIC-WQRHYEAKSA-N 415.536 4.735 10 50 HJCA Oc1c([C@@H](Nc2ccccn2)c2ccc3c(c2)OCO3)cc(Cl)c2cccnc12 2868466 AWFIIRZAMKULBC-FQEVSTJZSA-N 405.841 4.919 10 50 HJCA CCN1C(=O)/C(=C/c2cccc(OCCOc3cc(C)ccc3C)c2)SC1=S 2977334 OCKXOYIFVHXMGN-ZHZULCJRSA-N 413.564 4.982 10 50 HJCA COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccc(OC)c(OC)c2)cc1 100840651 YRIBGWBFSMMVFW-RCCKNPSSSA-N 414.461 4.547 10 50 HJCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc1 13777614 LTCJJDMHLLZJDL-CYVLTUHYSA-N 410.564 4.869 10 50 HJCA CCOC(=O)[C@H]1CCCN(Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 23280744 VDLIAGAZJQQHCH-KRWDZBQOSA-N 408.464 4.888 10 50 HJCA O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 15685361 LWBCXJCFBMKVLO-ZSOIEALJSA-N 421.297 4.763 10 50 HJCA Cn1c(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc2ccccc21 749748232 PAGOZYQBOYHLOI-GOSISDBHSA-N 404.539 4.908 10 50 HJCA COc1ccc(N2CCN(C(=O)c3csc4c3CC[C@H](C(C)(C)C)C4)CC2)cc1 2754961 ODTCDTNIGHFITN-KRWDZBQOSA-N 412.599 4.870 10 50 HJCA CN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2Cl)SC1=S 2978287 OMRBFACTGJOIAV-ATVHPVEESA-N 405.928 4.629 10 50 HJCA Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/N(C)C)cc1 5051501 WCYJGJZLLYZZLB-FOWTUZBSSA-N 408.552 4.545 10 50 HJCA CC(=O)Nc1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 239377552 OCAQUMHHLFCGJZ-PDLBJYQGSA-N 400.497 5.678 10 50 HJCA CCCCN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 13765643 IJJWCEJNODTRHP-ZCXUNETKSA-N 400.569 4.737 10 50 HJCA CCOc1ccc(CN[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1CO 14960766 MIBUXPIGTOMPCZ-QHCPKHFHSA-N 405.542 4.547 10 50 HJCA Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 4746820 XEMPPVGHDOEPCF-FOWTUZBSSA-N 402.566 4.677 10 50 HJCA O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(Cc1ccc(N3CCCC3)cc1)CC2 11966236 ZASCYDLCSUDGGL-VWLOTQADSA-N 421.629 4.896 10 50 HJCA CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 15010848 MXTVQOASZLUOIH-ZHZULCJRSA-N 412.580 4.943 10 50 HJCA CCN(CC)c1ccc(/C=C2\SC(=N)NC2=O)c(OCc2ccc(Cl)cc2)c1 5016456 FDAVTDBQEIOXGP-ODLFYWEKSA-N 415.946 4.904 10 50 HJCA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=C/c1ccc(N(C)C)cc1 4309442 ZBASBVHOXYCPJH-DEDYPNTBSA-N 402.523 4.991 10 50 HJCA O=C(O)CCc1ccc(-c2cccs2)n1CC(=O)Nc1cccc(C(F)(F)F)c1 9094819 BVWJQTRZQAMJKD-UHFFFAOYSA-N 422.428 4.891 10 50 HJCA CCN1C(=O)/C(=C/c2ccccc2OCCOc2cc(C)ccc2C)SC1=S 2977686 FWVVJCVPZRDWNB-ZHZULCJRSA-N 413.564 4.982 10 50 HJCA O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1 1227370 GIKMKNGCJJFKSA-ZSOIEALJSA-N 421.297 4.763 10 50 HJCA O=C1/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(O)cc1 54360495 MNMAGJDXQUQXIM-MNXDUIDKSA-N 418.883 4.829 10 50 HJCA CC(C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4171973 OVHTXSKBEMIRAI-FQEVSTJZSA-N 407.470 4.834 10 50 HJCA CCc1cc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c(CN(C)C)c1O 946866 WHAVXDRIHZPCQM-UHFFFAOYSA-N 407.388 4.934 10 50 HJCA CCOC(=O)c1cccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)c1 1137890 UKPCXVIUUJHLTO-YBEGLDIGSA-N 403.912 4.923 10 50 HJCA CCCCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OCC 16212983 CGMRIHATVJYTLI-YZYPPFLQSA-N 421.584 4.644 10 50 HJCA COc1ccc(N2CCN(C(=S)c3ccc(OCc4ccccc4)cc3)CC2)cc1 4821384 NIPXSCITKVHZQM-UHFFFAOYSA-N 418.562 4.772 10 50 HJCA CCCCc1cc(=O)oc2c(C)c(O)c(C3=NN[C@H](c4ccc(OC)cc4)C3)cc12 888088251 AOXPCAALSZCMTD-FQEVSTJZSA-N 406.482 4.597 10 50 HJCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3c(C)[nH]c4ccc([N+](=O)[O-])cc34)C2=O)cc1C 1149798 ALMUUOCIOHKFGI-VCHYOVAHSA-N 418.409 4.508 10 50 HJCA COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(Br)c1O 1191082 VKKVAIXESHZFDL-DHDCSXOGSA-N 404.285 4.533 10 50 HJCA O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2)o1 719313 WNNYKGLNPKGJCZ-XLNRJJMWSA-N 415.518 4.739 10 50 HJCA O=C(c1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1)N1CCCCC1 1104176 IJMUHVAYVLLYHP-UHFFFAOYSA-N 424.500 4.699 10 50 HJCA CCOCc1cc(CN[C@H](C)c2cnn(-c3ccc(OC)cc3)c2C)ccc1OC 11720657 LOIDWKFZEGHYQF-QGZVFWFLSA-N 409.530 4.585 10 50 HJCA CCN1C(=O)/C(=C/c2cccc(OCCOc3ccc(C)cc3C)c2)SC1=S 2977289 IGYDYBOQPRBWRL-ZHZULCJRSA-N 413.564 4.982 10 50 HJCA O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1C[C@H]1CCCO1 26967815 LWYGJZUFHICPDM-ZXMBATIKSA-N 405.928 4.980 10 50 HJCA CC(=O)Oc1ccc2ccccc2c1[C@H](NC(=O)C(C)C)c1ccc(N(C)C)cc1 855822 FHZGEMZOPHROCV-XMMPIXPASA-N 404.510 4.693 10 50 HJCA Cc1ncc2n1CC[C@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc3ccccc13)C2 1875259954 VNNWILGXEAZTDY-NBGIEHNGSA-N 411.505 4.519 10 50 HJCA CCCCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OCC 16212980 CGMRIHATVJYTLI-UEIJICEPSA-N 421.584 4.644 10 50 HJCA COc1ccc(/C=C2\SC(=S)NC2=O)cc1OCc1cccc2ccccc12 15769285 WKBLSIZTZPQQGU-NDENLUEZSA-N 407.516 4.916 10 50 HJCA CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1O 1157539 IRLXZZNAROHQIB-ATVHPVEESA-N 419.955 4.888 10 50 HJCA COc1ccc(CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1OC 5051604 PQLOLZIUMIUECF-CRVGVPJFSA-N 411.548 4.704 10 50 HJCA O=C1/C(=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc(C(F)(F)F)c1 4952259 LKEAGWMWTNHMTC-YRNVUSSQSA-N 400.359 4.612 10 50 HJCA O=C(O)c1cc(Br)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 15226295 UEZDFUOHJKCJQX-JJRVBVJISA-N 415.243 4.882 10 50 HJCA CCN(CC)P(=N/N=N/C(=O)c1ccccc1O)(N(CC)CC)N(CC)CC 4728168 ZBYVLNWWQZUTLI-QZQOTICOSA-N 410.503 4.871 10 50 HJCA CCOc1cccc(CN(CC)C[C@H]2CCCN(CCc3cccc(F)c3)C2)c1O 11948292 FLYMTCVMSKZLGD-OAQYLSRUSA-N 414.565 4.707 10 50 HJCA COc1ccc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)c(O)c1 55211942 RHYDFXQAFGOKRW-JOCHJYFZSA-N 423.601 4.843 10 50 HJCA CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 1156564 QEDZTTJHROZHPN-PVMIXHCPSA-N 411.508 4.623 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCC2 2765239 INLYLINKPDKDEZ-CABCVRRESA-N 419.543 4.579 10 50 HJCA c1ccc([C@H](CCNC2CCN(c3ccc4c(c3)OCO4)CC2)c2ccco2)cc1 829065387 FEPFCSSZEFAZFB-QFIPXVFZSA-N 404.510 4.789 10 50 HJCA Cc1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1C 2878439 OCOBGCHYHFXXNA-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA Cc1ccc(S(=O)(=O)Nc2nc(-c3c(F)c(F)c(F)c(F)c3F)cs2)cc1 2817385 PVFBKUDGPSPSPS-UHFFFAOYSA-N 420.384 4.615 10 50 HJCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 4719551 KYPXQUPGNMKBPB-LDADJPATSA-N 401.509 4.595 10 50 HJCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1O 19797715 QSMZGFUCTZVCER-UNOMPAQXSA-N 420.900 4.963 10 50 HJCA Cc1ccc(C)c(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 2878363 MJHSKEFMPAUPMU-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA COCc1c(Br)cccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 225531446 UOIDDKQHIWJEJI-UHFFFAOYSA-N 414.303 4.650 10 50 HJCA N=C1/C(=C/c2ccc(Cl)cc2Cl)C(=O)N=C2SC(c3ccccc3)=NN12 22229057 XNVJVKCAXVBSRN-YSWPFZHPSA-N 401.278 4.661 10 50 HJCA O=C(c1ccc(Br)cc1)c1coc2ccc(O)c(CN3CCCC3)c12 218487367 QSYWYMSCKKTWCR-UHFFFAOYSA-N 400.272 4.728 10 50 HJCA CCCC1=NN2C(=N)/C(=C/c3cccc(OCc4ccccc4F)c3)C(=O)N=C2S1 15799061 KQZPYIJFTAEWBE-WPTKKBASSA-N 422.485 4.824 10 50 HJCA Cc1cc(C)cc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 4755073 ZQRIVIXKOJOZSY-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])cc1 4859632 IJOBWZNISQIVHB-DTQAZKPQSA-N 412.449 4.530 10 50 HJCA CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 4725632 VSULSFYVYPFYHT-OVGFGYAMSA-N 423.003 4.722 10 50 HJCA Cc1cc2c(cc1C)C(=O)[C@H]1C[C@H]3C(=O)c4cc(C)c(C)cc4C(=O)[C@@H]3C[C@@H]1C2=O 101094157 UDIRYGOAIRBKNW-URSFVKLHSA-N 400.474 4.637 10 50 HJCA CCN(CC)c1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=NN2c2ccccc2)cc1 227173718 ITWHEVDCSCXJBU-JOCHJYFZSA-N 417.509 4.856 10 50 HJCA Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1C(F)(F)F 1463166188 OFFOLKBHSLUNAH-UHFFFAOYSA-N 413.461 4.853 10 50 HJCA CCn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc21 1152561 RHGXKIZXXCGMQJ-MOSHPQCFSA-N 417.534 4.616 10 50 HJCA CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4C)c(Cl)c3)C(=O)N=C2S1 16213502 RFNVEVGKZDZGFS-NJOZZACWSA-N 424.913 4.866 10 50 HJCA COc1ccccc1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O 16667934 XNORTCQWGWJGJZ-GDNBJRDFSA-N 406.326 4.864 10 50 HJCA CCOC(=O)c1sc2nc(C)c(C(=O)OCC)c(/C=C/c3ccccc3)c2c1N 951723483 UEKVJAGECZRUQD-VAWYXSNFSA-N 410.495 4.711 10 50 HJCA Cc1ccc(SCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1 2962889 LIQYQSIGDYZXFZ-QGOAFFKASA-N 401.578 4.997 10 50 HJCA CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 2998930 UJVKVMVMEOBSPC-IBGZPJMESA-N 413.861 4.898 10 50 HJCA Cc1cc(OCCOc2ccccc2/C=C2\SC(=S)NC2=O)ccc1Cl 5102372 IKRHBWGRTGHDKS-BOPFTXTBSA-N 405.928 4.595 10 50 HJCA COCc1cc(CN[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)ccc1OC 12431621 PFFKEUBLOHGIMN-QHCPKHFHSA-N 405.542 4.811 10 50 HJCA O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 13880982 UBLVSQFBFNQOPN-SDQBBNPISA-N 400.706 4.851 10 50 HJCA Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1C 628592 XMRPKZZWKRIPRX-UHFFFAOYSA-N 417.538 4.662 10 50 HJCA COc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC 4755277 LOYXKFMCNYZVQD-QFIPXVFZSA-N 401.466 4.863 10 50 HJCA CCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 1190926 YLOLKTXMUNXLQR-HXUWFJFHSA-N 407.543 5.000 10 50 HJCA CCCN1C(=O)/C(=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)c2ccccc21 13591029 GFDYDWWRDQEFCJ-HNENSFHCSA-N 424.547 4.618 10 50 HJCA CCCCC(=O)N[C@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O 2999904 UUDZWKWHQOPGHX-LJQANCHMSA-N 413.861 4.898 10 50 HJCA Cc1oc(C(=O)O)cc1COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 949198 VDOMKYBVAKUUQP-UHFFFAOYSA-N 404.418 4.871 10 50 HJCA biogenic CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1 5953979 OCIKZZVAZLUVMG-KFWWJZLASA-N 421.559 4.658 10 50 HJCA CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N=C2S1 8738812 GCXQKWNPBXYZSS-AHSZANDNSA-N 423.454 4.582 10 50 HJCA Cc1ccc(N2C(=O)C[C@H](C(=O)N(C)Cc3ccccc3O)[C@@H]2c2cccs2)cc1 170623469 OHFAGAVFMWGASU-WMZHIEFXSA-N 420.534 4.515 10 50 HJCA COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)c(O)c1 55211941 RHYDFXQAFGOKRW-QFIPXVFZSA-N 423.601 4.843 10 50 HJCA Cc1sc(NS(=O)(=O)c2ccc(F)cc2Cl)nc1-c1ccc(F)cc1 170593219 DRIKTRXPECGFQP-UHFFFAOYSA-N 400.859 4.851 10 50 HJCA COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccc(C)cc2)cc1OC 5041334 JESPJKLHTPFJQN-OAQYLSRUSA-N 416.477 4.709 10 50 HJCA COc1ccccc1[C@@H](NC(=O)c1cccnc1)c1cc(Cl)c2cccnc2c1O 15821768 CWQRAWGQWUDFJL-HXUWFJFHSA-N 419.868 4.517 10 50 HJCA biogenic O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@@H]3C=CC[C@@H]3CN42)cc1 240936905 SFQKUKBSPUOLCV-SFVACJEJSA-N 420.512 6.642 10 50 HJCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)c1 1446546 QBTMWAKVNIJPNX-XDHOZWIPSA-N 405.548 4.987 10 50 HJCA CN(C)c1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 2191458 NMTMMIATJQBBES-OQKWZONESA-N 405.567 4.678 10 50 HJCA C[C@H](NC1(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)CCOCC1)c1ccccc1 242389689 ZZPBDEILIIAQND-IRXDYDNUSA-N 422.491 4.962 10 50 HJCA Cc1cnc(C)c(-c2ccc(O)c(CNCC3(N4CCCCC4)CCCCC3)c2)n1 45371729 CTKQBQBYWHSEAI-UHFFFAOYSA-N 408.590 4.744 10 50 HJCA CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1182145 PGNNQMMZLISAJW-RGEXLXHISA-N 410.564 4.787 10 50 HJCA O=C(O)c1cc(Br)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 15226294 UEZDFUOHJKCJQX-CKEIUWERSA-N 415.243 4.882 10 50 HJCA CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 15837933 YZGJWJRWTXBXPY-HXBSJJRASA-N 423.454 4.664 10 50 HJCA Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 1146818 UFZGTOSGPPHLHM-MOSHPQCFSA-N 423.494 4.740 10 50 HJCA CCOC(=O)c1sc2ncc(-c3ncc(C(F)(F)F)cc3Cl)cc2c1N 261494924 UIPSCNOOSBNSJE-UHFFFAOYSA-N 401.797 4.789 10 50 HJCA COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)cc2)cc1 1213201 GCPOVZGFOOVERG-KGENOOAVSA-N 417.396 4.577 10 50 HJCA Cc1ccc(N2C(=O)C[C@H](C(=O)N(C)Cc3ccccc3O)[C@H]2c2cccs2)cc1 170623468 OHFAGAVFMWGASU-CVDCTZTESA-N 420.534 4.515 10 50 HJCA O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2 15015225 SBUOCMAARYLZTK-APSNUPSMSA-N 407.875 4.609 10 50 HJCA O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1Cc1ccccc1 1159338 RARXLSGXKDPZGP-DHDCSXOGSA-N 406.326 4.556 10 50 HJCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 1180548 AUGWQCYUDABISV-RGEXLXHISA-N 410.564 4.924 10 50 HJCA CCOc1cccc(CN(C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)c1O 55061074 RGIJVFWNDHXTTD-FQEVSTJZSA-N 416.993 4.831 10 50 HJCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2cccc3ccccc23)c1O 4903905 SHFYIKDSJKJABT-QNGOZBTKSA-N 408.461 4.846 10 50 HJCA Cc1cc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)ccc1Cl 22229225 ZOAOIMWEIALCAC-PDGQHHTCSA-N 419.955 4.937 10 50 HJCA Cc1ccc(OCCCn2cc(/C=C3/SC(=S)NC3=O)c3ccccc32)cc1 2851929 KDGJNQLETSOPEJ-DEDYPNTBSA-N 408.548 4.908 10 50 HJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 100561469 VCKPUUQUODGKKP-HYARGMPZSA-N 400.438 4.808 10 50 HJCA CCOC(=O)COc1c(CC)cc2c(-c3ccccc3)cc(=O)oc2c1-c1ccno1 823236940 BMMWLJXUGIXISC-UHFFFAOYSA-N 419.433 4.619 10 50 HJCA O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1cc([N+](=O)[O-])ccc1Cl 12363790 YIUUMMPZBWFJSH-KPKJPENVSA-N 406.619 4.992 10 50 HJCA COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)SC1=S 4758648 ACDPTLHUWWQRAY-BOPFTXTBSA-N 406.960 4.595 10 50 HJCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(C4CCCCC4)CC3)c2)c1 19866045 LMSUYSJBVPQSIH-UHFFFAOYSA-N 410.558 4.527 10 50 HJCA C[C@@H](NC1(CN[C@H](C)c2cccc(C(F)(F)F)c2O)CCOCC1)c1ccccc1 242389688 ZZPBDEILIIAQND-IAGOWNOFSA-N 422.491 4.962 10 50 HJCA Cc1ccc2oc(-c3cc(NCc4ccc(N5CCOCC5)cc4)ccc3O)nc2c1 1170696 ARQBVFBMVHGLKI-UHFFFAOYSA-N 415.493 4.958 10 50 HJCA COc1ccc(OC)c(/C=C2/SC(=S)N(CNc3cccc(Cl)c3)C2=O)c1 2873394 DXTSZPADKHJUSJ-RQZCQDPDSA-N 420.943 4.628 10 50 HJCA CCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(F)cc3)c2)SC1=S 4652231 YTOMVCYUEFYAAU-WOJGMQOQSA-N 403.500 4.634 10 50 HJCA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c3ccccc3cc3ccccc23)C1=O 3189250 UOVMFBMOMDJESB-PXLXIMEGSA-N 406.441 4.968 10 50 HJCA COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 15684679 MAWNVYVSIYQAEL-XNTDXEJSSA-N 424.341 4.557 10 50 HJCA CCOc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1O 42986330 WINVFDPJCYHEFQ-OAHLLOKOSA-N 413.468 4.839 10 50 HJCA CCOC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12)c1ccccc1 1184755 PQRBBHHOPRJPJP-QFIPXVFZSA-N 404.418 4.638 10 50 HJCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(C)Cc3ccccc3)C2=O)cc1 1179954 ANMGGTCFOBVNIO-HKWRFOASSA-N 424.591 4.635 10 50 HJCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(F)c1 1182832 OVCKDDHZPJQHLZ-YBEGLDIGSA-N 420.918 4.709 10 50 HJCA COCCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 2984748 RRAMXBVWUXSCCJ-VBKFSLOCSA-N 407.601 4.835 10 50 HJCA CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OCc1ccccc1 5101324 CKSWEHBQHJWZLT-UHFFFAOYSA-N 424.493 4.910 10 50 HJCA CCOCc1cc(CN[C@H]2CCCc3c2cnn3-c2ccccc2F)ccc1OC 12197037 PGVNNQBJPXXTLY-NRFANRHFSA-N 409.505 4.724 10 50 HJCA CCCCOc1ccc(/C=C2\SC(=S)N(CCCOCC)C2=O)cc1OCC 4865343 GTTCCZSKRLTOSI-CYVLTUHYSA-N 423.600 4.892 10 50 HJCA Cc1cccc(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 3878988 DVRUCYVPXGSWNX-UHFFFAOYSA-N 413.502 4.656 10 50 HJCA O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(Cl)cc1 13810607 YRCQLSIGVOVFAG-LDADJPATSA-N 418.349 4.786 10 50 HJCA Cc1cc(C(=O)Nc2ccccc2N2CCC(O)CC2)c(C)n1-c1cccc(Cl)c1 170592829 YUIPXAVZTNBBLQ-UHFFFAOYSA-N 423.944 4.961 10 50 HJCA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1cccc(Br)c1 1188400 IGONHEQNZOQPRC-CHHVJCJISA-N 420.309 4.584 10 50 HJCA O=C(NCc1ccccn1)c1ccc(NCc2c(O)cccc2Cl)cc1Cl 789888908 INRZMOUNHFDQAC-UHFFFAOYSA-N 402.281 4.636 10 50 HJCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1C[C@H]1CCCO1 1187975 ZFUXTCMUHFVSLE-ZXMBATIKSA-N 405.928 4.980 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCCCC2 17091913 LSRKKSQGFAMUAG-JKSUJKDBSA-N 419.543 4.579 10 50 HJCA CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)ccc1O 4756022 QZNOPFSULWLXKW-QNGOZBTKSA-N 414.461 4.634 10 50 HJCA COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1cnn(C)c1 299772348 ZDKDRVPYUCKLBI-JOCHJYFZSA-N 409.555 4.989 10 50 HJCA Cc1ccc(-n2ncc([C@H](C)NC3CCN(c4ccc5c(c4)OCO5)CC3)c2C)cc1 952879401 PMSILKGZTJTDPL-SFHVURJKSA-N 418.541 4.537 10 50 HJCA CC[C@@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)[C@H](CC)CN1C(C)=O 1457224911 CDKIQRAKXHPHEP-RTBURBONSA-N 415.965 4.609 10 50 HJCA CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)S1 1146449 CPYOUKIEOGIQNJ-BKUYFWCQSA-N 402.475 4.525 10 50 HJCA COc1cccc(O)c1CN1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 20211032 HABITDCFTDIHJJ-GOSISDBHSA-N 407.489 4.685 10 50 HJCA O=C(O)c1ccc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 40422013 DJTINRHPPGAPLD-DHDCSXOGSA-N 423.437 4.805 10 50 HJCA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1[N+](=O)[O-] 13897051 WBWAWSLACAOJID-SIUCFOQUSA-N 406.427 4.593 10 50 HJCA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C(=O)OC(C)C)C1 239377577 OCIKZZVAZLUVMG-QLFBSQMISA-N 421.559 4.658 10 50 HJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2C)c1O 5521028 FLABBQJEKAYFOP-MOSHPQCFSA-N 400.482 4.618 10 50 HJCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 13343704 WQVCLZAUFRUGJG-AWNIVKPZSA-N 414.291 4.539 10 50 HJCA COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OC 666924 AMFQIALECOUHGP-ZROIWOOFSA-N 410.779 4.706 10 50 HJCA O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1Cc1ccco1 975225 KSBNUOGKSIBFSX-YVLHZVERSA-N 412.448 4.849 10 50 HJCA Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F 13785464 CEXWCMMHLSJEOQ-CHHVJCJISA-N 409.280 4.662 10 50 HJCA Cc1ccc(C)c(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)c1 22229160 BXHFVLPRIJTICJ-WQRHYEAKSA-N 419.955 4.903 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCC2 2772069 SIXQTILVKGYZMI-HUUCEWRRSA-N 421.559 4.803 10 50 HJCA Cc1ccc(N2C(=O)C(=Cc3ccccc3O)C(=O)N(c3ccc(C)cc3)C2=O)cc1 6205484 JNZQPOKPSZKLPT-UHFFFAOYSA-N 412.445 4.592 10 50 HJCA CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2F)SC1=S 6470486 ANERPDLNAHGTSS-LICLKQGHSA-N 418.471 4.534 10 50 HJCA CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1 16511664 AXDKNTLQEBADEL-JWGURIENSA-N 419.912 4.816 10 50 HJCA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc(OC)c1OC 1086565 FQXLYVQTNWDROJ-WQRHYEAKSA-N 415.536 4.735 10 50 HJCA Cc1cc(C)cc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 2874393 AHOSNOJVQUPSOJ-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA CCOc1cccc(CN(C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)c1O 55061075 RGIJVFWNDHXTTD-HXUWFJFHSA-N 416.993 4.831 10 50 HJCA CCN1C(=O)/C(=C/c2ccccc2OCCOc2c(C)cccc2C)SC1=S 2978155 VPTAVUHUVMXPOI-RGEXLXHISA-N 413.564 4.982 10 50 HJCA O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 1150912 YSZLSSKHQULAGN-QGOAFFKASA-N 413.524 4.919 10 50 HJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1O 1192356 LWBBXNKSWPEKPF-BKUYFWCQSA-N 414.509 4.926 10 50 HJCA CCOC(=O)[C@@H]1CCCN(Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 23280741 VDLIAGAZJQQHCH-QGZVFWFLSA-N 408.464 4.888 10 50 HJCA CCN(CC)c1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=NN2c2ccccc2)cc1 227173712 ITWHEVDCSCXJBU-QFIPXVFZSA-N 417.509 4.856 10 50 HJCA CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OCC)SC2=S)cc1 1146641 NFZCGNMPUAYZCM-QGOAFFKASA-N 413.520 4.668 10 50 HJCA O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1c1ccccc1 8935028 XQQAGGDSSMCITN-VIZOYTHASA-N 420.309 4.584 10 50 HJCA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 27533919 GYQIRCYVGHOEPR-XPFMCRKWSA-N 419.527 4.737 10 50 HJCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 239274880 AVJMLGPBLBABFW-PDLBJYQGSA-N 415.508 5.897 10 50 HJCA O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)c1ccco1 13942769 ZRIDJRXTRNQHHR-UYRXBGFRSA-N 421.499 4.900 10 50 HJCA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3cccs3)cc2)SC1=S 1165019 XXODCXPVCZNUQE-COOUDCDJSA-N 403.550 4.967 10 50 HJCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1C 33381653 MNZYWIHZIZGRPN-XDHOZWIPSA-N 421.547 4.687 10 50 HJCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OC(=O)c2ccccc2F)c1 101723032 VIKBYNDQFLOFFG-RCCKNPSSSA-N 400.409 4.851 10 50 HJCA O=C(c1cccc(Cl)c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 1002846 UDTOONSDSDEUJZ-UHFFFAOYSA-N 406.913 4.881 10 50 HJCA CCCN1C(=O)/C(=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)c2ccccc21 15016788 JYZDAAJEJIYKLW-ZCXUNETKSA-N 411.914 4.574 10 50 HJCA O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CCc1ccccc1 1215009 GXWQQVSVSHIJRE-VBKFSLOCSA-N 404.354 4.893 10 50 HJCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 1462005 QAOGLVULFCHBNL-PDGQHHTCSA-N 409.511 4.900 10 50 HJCA CC(C)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 2840180 PZEGVYYEOPZIGI-PXNMLYILSA-N 405.859 4.991 10 50 HJCA CC[C@@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 2695252 FPSGQUDDEKLYRL-MVZUJROASA-N 422.575 4.912 10 50 HJCA CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)cc1 1136244 YBENPVUYMYHZHM-ATVHPVEESA-N 415.536 4.681 10 50 HJCA C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)OCc1ccccc1 1778901 AYTNKXQDXZJQFE-QGZVFWFLSA-N 400.430 4.971 10 50 HJCA COc1ccc(O)c(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC)C2)c1 14993639 ZSPHNLJJEDTMQW-UHFFFAOYSA-N 411.523 4.841 10 50 HJCA COc1cc(/C=C2/C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c([N+](=O)[O-])cc1OC 1199324 YHMTZZJAORKGSG-YBEGLDIGSA-N 409.438 4.891 10 50 HJCA COCCN(Cc1cc(Cl)ccc1O)CC1CCN(Cc2ccccc2F)CC1 12229158 IQGWKCTXAPTISK-UHFFFAOYSA-N 420.956 4.545 10 50 HJCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccn1 4747576 CNODOFKNMAHVSY-FYWRMAATSA-N 417.581 4.543 10 50 HJCA COc1ccc(N2CCN(c3nc(C(F)(F)F)nc4c(C)cc(C)cc34)CC2)cc1 2684986 AWIYTTYWDBZHIF-UHFFFAOYSA-N 416.447 4.601 10 50 HJCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCCC3)C2=O)cc1 13774415 QQFJPTLOZOOUQX-MNDPQUGUSA-N 416.612 4.633 10 50 HJCA COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OC(C)=O 100520782 LKGGYLSLCWYXAE-OVCLIPMQSA-N 419.264 4.733 10 50 HJCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(F)cc1 1062119 GCLUAVSIRKKKHT-WOJGMQOQSA-N 403.500 4.634 10 50 HJCA COc1ccc([C@H](NC(=O)c2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1 9504619 MOVXTSAXGOKBPZ-FQEVSTJZSA-N 419.868 4.517 10 50 HJCA CCN(CC)Cc1c(O)c(CN(CC)CC)c2oc(-c3ccccc3)cc(=O)c2c1O 1156039 UHPLPJITZWJBQY-UHFFFAOYSA-N 424.541 4.555 10 50 HJCA biogenic CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S 5058974 KDALUOVPLRUSCO-SFQUDFHCSA-N 401.509 4.735 10 50 HJCA CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S 19912596 ZZJXCTHKNOFTEZ-CPNJWEJPSA-N 421.547 4.769 10 50 HJCA COc1ccc(NCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1Cl 334163144 MLOZIQIFNBCDEG-ZDLGFXPLSA-N 417.918 4.521 10 50 HJCA CC(C)c1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2O)cc1 17046031 OFMYSENRZKUNMG-VGOFMYFVSA-N 419.264 4.693 10 50 HJCA O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1cc2cc(F)ccc2o1 1875259144 SIIXYFSBGWTQOU-ZDUSSCGKSA-N 422.378 4.727 10 50 HJCA CCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)C(=O)O1 5093571 WGPBCQRCKNIWDS-UHFFFAOYSA-N 410.466 4.664 10 50 HJCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccc(O)cc1 1811844 SKPKAGXQCUOFRC-WOJGMQOQSA-N 424.459 4.966 10 50 HJCA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccccc2O)CC1 15077103 GQMLNSNLKGFYPK-UHFFFAOYSA-N 421.459 4.799 10 50 HJCA COCCN=c1[nH]c(-c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)cs1 1875390432 WQNNCNHHRJCSSZ-UHFFFAOYSA-N 411.449 4.596 10 50 HJCA O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccc(F)cc1 781556 OGUSBLVIUYZNIL-UHFFFAOYSA-N 409.438 4.858 10 50 HJCA O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1Cc1cccnc1 15010827 LKLXMDNJWLLHNI-ZDLGFXPLSA-N 423.475 4.651 10 50 HJCA O=C(Cc1ccccc1Cl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2789395 MMUITUVXEJVABN-UHFFFAOYSA-N 420.940 4.810 10 50 HJCA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(C3CCCCC3)C(=O)N=C2O)o1 15836799 YVYIUXIBKLTREN-PDGQHHTCSA-N 423.425 4.798 10 50 HJCA COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 16671456 LSEMRHWMXSXCAD-XNTDXEJSSA-N 406.326 4.864 10 50 HJCA COc1ccc2c(c1)c(=O)oc1cc(OCc3cc4c(cc3Cl)OCO4)ccc12 1151690 ZESWACFTMGTHBS-UHFFFAOYSA-N 410.809 4.916 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCC2 2772068 SIXQTILVKGYZMI-LSDHHAIUSA-N 421.559 4.803 10 50 HJCA CCOC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12)c1ccccc1 1184754 PQRBBHHOPRJPJP-JOCHJYFZSA-N 404.418 4.638 10 50 HJCA C/C(NCc1cccs1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 8694949 DLPHJARRRDPCGP-UVTDQMKNSA-N 422.457 4.687 10 50 HJCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1F 2533068 FZHDZNVIKWRCPL-WQRHYEAKSA-N 409.511 4.818 10 50 HJCA COc1ccc(N2CCN(CCC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 52537687 VJDNUQVSIQUUDA-UHFFFAOYSA-N 400.522 4.757 10 50 HJCA CCCCCCN1C(=O)/C(=C2/C(=O)N(CCCC)c3ccccc32)SC1=S 2672914 PCOFZVNLDSHHQS-ZCXUNETKSA-N 402.585 4.985 10 50 HJCA O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1C[C@@H]1CCCO1 26967806 LWYGJZUFHICPDM-ADFUCPMPSA-N 405.928 4.980 10 50 HJCA COc1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 4954740 WOZHNYLNPBWVHU-UHFFFAOYSA-N 400.522 4.566 10 50 HJCA COc1ccc(-c2cc(=O)oc3cc(OCC(=O)OCc4ccccc4)ccc23)cc1 1170932 AMIGLCHKVXEUBF-UHFFFAOYSA-N 416.429 4.591 10 50 HJCA biogenic CCOCc1cc(CN[C@@H]2CCCc3c2cnn3-c2ccccc2F)ccc1OC 12197031 PGVNNQBJPXXTLY-OAQYLSRUSA-N 409.505 4.724 10 50 HJCA COc1cc(C2Nc3cccc4cccc(c34)N2)cc(I)c1O 2999217 IYHHODWMNSBWMC-UHFFFAOYSA-N 418.234 4.695 10 50 HJCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(c4ccccc4F)CC3)c2)c1 55358526 FUFIEZCARHEDSB-UHFFFAOYSA-N 422.500 4.538 10 50 HJCA Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1/N=N/c1ccc(Cl)c(Cl)c1 17070449 ZKKIGQYDAOOVIQ-QURGRASLSA-N 424.313 4.859 10 50 HJCA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)o1 4702363 PUKOLCKRRALSSF-AQTBWJFISA-N 403.394 4.670 10 50 HJCA COc1ccc(OC)c(NC(=O)c2c(NCc3ccncc3)sc3c2CCC3)c1 1148111 WRCNITZISDVDPB-UHFFFAOYSA-N 409.511 4.513 10 50 HJCA CCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c2ccccc21 16212787 IUBSGPRTWUGEQZ-VXPUYCOJSA-N 422.575 4.913 10 50 HJCA O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]12NN=C(c1ccccc1)S2 2992491 PMADITKBVODKSF-JOCHJYFZSA-N 405.910 4.738 10 50 HJCA in-vitro CCOc1cccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1O 5102114 HJOYWNZTRJUEOI-JOCHJYFZSA-N 401.466 4.950 10 50 HJCA CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 2942547 WEFYWFCTYAZNJD-AQTBWJFISA-N 413.524 4.847 10 50 HJCA Oc1ccc(Br)cc1CN1CCN(Cc2cccc3ccccc23)CC1 19792297 NVQVFTGUTIPQLR-UHFFFAOYSA-N 411.343 4.626 10 50 HJCA O=C(CSc1ccccc1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2789188 MUYNCWFYNIFQOR-UHFFFAOYSA-N 418.562 4.707 10 50 HJCA COc1ccc([C@@H](NC(=O)c2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1 9504622 MOVXTSAXGOKBPZ-HXUWFJFHSA-N 419.868 4.517 10 50 HJCA CCCOc1ccc(/C=C2/SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 2295745 VTDBYPVVNWFFDH-OQKWZONESA-N 421.566 4.576 10 50 HJCA COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCSc1ccccc1 3001098 DMVWTXBYZQFNLN-AQTBWJFISA-N 417.577 4.697 10 50 HJCA O=C1N=C(Nc2cccc(O)c2)S/C1=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1 100675809 FGJKMERXJOTRPO-OOBCCFMBSA-N 401.831 4.506 10 50 HJCA CCCCC(=O)N[C@@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 2815030 HIWLPHWNQGEALE-HYSAVQALSA-N 405.454 4.910 10 50 HJCA COc1cc(/C=C2\SC(Nc3ccc(C)c(Cl)c3)=NC2=O)cc(OC)c1OC 5061628 XPKUEEPIKPJYOK-MFOYZWKCSA-N 418.902 4.757 10 50 HJCA COc1ccc(CN2CCOc3c(cc(-c4ccccc4C)cc3OC)C2)c(O)c1 15066822 QCGUMHQMFVMCGS-UHFFFAOYSA-N 405.494 4.779 10 50 HJCA CC(/C=C1\SC(=S)N(CCC(=O)NC2CCCCC2)C1=O)=C\c1ccccc1 12342795 KIJJVUFLIAAKOS-GDSPCTNTSA-N 414.596 4.673 10 50 HJCA COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)cc1 2119975 HEFKAUYVLSGPGC-DHDCSXOGSA-N 422.325 4.569 10 50 HJCA in-vitro Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 13801635 ZKACUBHETGLYHZ-ATVHPVEESA-N 416.955 4.878 10 50 HJCA CCN(C(=O)COc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C)C1CCCCC1 4993871 GSXPQEFQNHACQK-UHFFFAOYSA-N 423.509 4.823 10 50 HJCA O=C1NC(=S)S/C1=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 22170809 PXYZWIWHRBFSCR-AUWJEWJLSA-N 410.303 4.701 10 50 HJCA COc1cccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1OC 1168685 DZMFHJPABQQSBW-JOCHJYFZSA-N 401.466 4.863 10 50 HJCA O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1C[C@H]1CCCO1 1087654 CELQNOCWABHQCF-VGSSETLESA-N 405.928 4.980 10 50 HJCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2009766 IRNIRFQMWORVLH-AWNIVKPZSA-N 414.291 4.539 10 50 HJCA O=C(O)c1ccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 208936707 DJTINRHPPGAPLD-OQLLNIDSSA-N 423.437 4.805 10 50 HJCA in-vitro CCCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 2990620 LJMDFKNQFRZFFM-GZTJUZNOSA-N 400.481 4.789 10 50 HJCA Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1 1180692 FWZYCJRTOYNFFN-ATVHPVEESA-N 416.955 4.878 10 50 HJCA O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1cc2c(cc1Br)OCO2 2877876 YABBQAVRMULXGF-XGICHPGQSA-N 405.631 4.813 10 50 HJCA CC(/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O)=C\c1ccccc1 4077012 LDZQUNCQSFRUPO-IBOJSVHSSA-N 409.532 4.530 10 50 HJCA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)[C@@H](C(=O)O)C1 4651479 BTGQOEKVRMUXOF-CVEARBPZSA-N 419.543 4.578 10 50 HJCA Cc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1C 2882540 ISNVKNQOSAQYLH-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1 1805186 WKNQUSLBNUPROW-DTQAZKPQSA-N 408.614 4.569 10 50 HJCA Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4cccs4)S3)CC2)cc1Cl 4663320 FAAWAGGZFHJURE-SFQUDFHCSA-N 403.960 4.502 10 50 HJCA O=C(c1ccc(Br)s1)c1coc2ccc(O)c(CN3CCCC3)c12 253404010 HOZJOOXPFLWNQE-UHFFFAOYSA-N 406.301 4.789 10 50 HJCA CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S 6574812 UTHWJDPSSOEUBX-MHWRWJLKSA-N 420.353 4.859 10 50 HJCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccnc1 15686019 OAWGKNQIJZENRC-HAHDFKILSA-N 405.461 4.740 10 50 HJCA Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5ccccc5)o4)C(=O)N=C3S2)cc1 4642187 MMVVTLLOULRNDJ-PCHQCWAOSA-N 412.474 4.922 10 50 HJCA O=C(Nc1ccc(C(=O)C(=O)c2ccccc2)cc1)c1ccc(Br)cc1 2896751 KBCNMDHZAHXZAF-UHFFFAOYSA-N 408.251 4.767 10 50 HJCA O=C1/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)SC(=S)N1c1cccc(Cl)c1 4289874 ONSKLHZHAKOBDC-YPKPFQOOSA-N 417.855 4.626 10 50 HJCA Cc1cccc(C)c1OCCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 4755120 RGCQLOPZFTUKJS-XMHGGMMESA-N 413.564 4.982 10 50 HJCA CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5859498 QTZKGAGNGPTZCE-FIKOHSHLSA-N 404.340 4.694 10 50 HJCA COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)SC1=S 2960230 PBXBVFJYCKJFEC-UNOMPAQXSA-N 400.569 4.559 10 50 HJCA CC[C@@H](C)N1C(=O)/C(=C\c2c(C)[nH]c3ccc(Br)cc23)C(O)=NC1=S 38182455 KGJHCEFKCNUJON-ZJTXEKFPSA-N 420.332 4.504 10 50 HJCA CN(C1=NC(=O)/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)S1)c1ccc(O)cc1 100691864 TVXQEKOSNIUKGL-HLXADAOKSA-N 415.858 4.530 10 50 HJCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NC1CCCCC1 13801121 REDNKZXEEWRZLA-LGMDPLHJSA-N 423.003 4.770 10 50 HJCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)N=C2S1 4725345 CAQXIZDYJWKLCA-PCHQCWAOSA-N 412.474 4.922 10 50 HJCA COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O 1198005 CSJVXVVNYNKMBA-NVNXTCNLSA-N 411.426 4.825 10 50 HJCA CC[C@H](C1=NN2C(=N)/C(=C\c3ccc(N(C)C)cc3)C(=O)N=C2S1)c1ccccc1 4917452 PGQMFJWNNWOOPF-GXIJNGMCSA-N 417.538 4.566 10 50 HJCA C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1 8672237 DODVOGUYLCMAHP-ZDUSSCGKSA-N 421.522 4.589 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCC2 2765236 INLYLINKPDKDEZ-LSDHHAIUSA-N 419.543 4.579 10 50 HJCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc1 13798730 WCMUHDLXSOOAJS-UYRXBGFRSA-N 410.564 4.842 10 50 HJCA CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5859394 QTZKGAGNGPTZCE-DTCSVVGVSA-N 404.340 4.694 10 50 HJCA CCCCC(=O)N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O 2999903 UUDZWKWHQOPGHX-IBGZPJMESA-N 413.861 4.898 10 50 HJCA CCn1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=S)N=C2O)c2ccccc21 33307149 OCEMBFFPOVGQML-PTNGSMBKSA-N 409.898 4.986 10 50 HJCA Cc1ccc(-c2ccc(C(=S)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)o2)cc1 4998802 HZUIIXWPULGBQA-UHFFFAOYSA-N 407.495 4.661 10 50 HJCA CN(C)c1ccc(/C=C2/SC(=O)N(c3ccc(Br)cc3)C2=O)cc1 5569606 AZHMFLRJUZKJOT-LFIBNONCSA-N 403.301 4.756 10 50 HJCA O=C(O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 13829351 JIMHYXZZCWVCMI-RIYZIHGNSA-N 409.410 4.809 10 50 HJCA in-vitro O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CCN(Cc1ccccc1O)CC2 14881321 AEHRPOXNAUASAB-HSZRJFAPSA-N 418.581 4.623 10 50 HJCA O=C(c1c(F)cccc1F)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2789198 JZGGZPVWMQNWFM-UHFFFAOYSA-N 408.448 4.506 10 50 HJCA O=C1c2ccccc2C(=O)c2c1ccc(NC(=O)C(F)(F)F)c2Oc1ccccc1 4833324 JLAMLNYAEVJFDW-UHFFFAOYSA-N 411.335 4.755 10 50 HJCA COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1F 1160690 MGOHPWQHHWUOHW-YBEGLDIGSA-N 405.347 4.722 10 50 HJCA Cc1ccc(C)c(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 2878599 FHEUTDMQHRDUAJ-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccs1 14009156 IQQMGUWTMUXJDU-WJDWOHSUSA-N 418.312 4.778 10 50 HJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Cl)cc2)c1O 100502169 JQICXWZUARWKMA-MTJSOVHGSA-N 420.900 4.963 10 50 HJCA CC(C)COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)ccc1Cl 16225852 RESSMRBLCVKGFK-PXNMLYILSA-N 421.927 4.902 10 50 HJCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 13941951 QLDOGEQUKNLSRO-CXUHLZMHSA-N 423.918 4.946 10 50 HJCA Cc1cc(Br)c(O)c(CNc2ccc(C(=O)Nc3nccs3)cc2)c1 225642142 AULWVUZJZHQXQB-UHFFFAOYSA-N 418.316 4.784 10 50 HJCA COc1ccc(CN2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)SC2=S)cc1 1130673 YWYNXYPKLCTFNK-ZHZULCJRSA-N 410.564 4.697 10 50 HJCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc1 1183252 SLHQSYSOZHFVEN-QGOAFFKASA-N 414.527 4.754 10 50 HJCA Cc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)c1 15800708 RYHSVTYBAZLJTI-WQRHYEAKSA-N 419.955 4.903 10 50 HJCA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCCCC2)c1O 1108057 UJTCQZSPPOXRBL-UHFFFAOYSA-N 417.509 4.601 10 50 HJCA biogenic COc1ccc2c(c1)c(=O)oc1cc(OCc3cc(OC)c(OC)c(OC)c3)ccc12 2133880 NOBPLVDOGGPWPX-UHFFFAOYSA-N 422.433 4.560 10 50 HJCA biogenic CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)c1 5200377 SHLPOHQEDAGSOI-BKUYFWCQSA-N 414.417 4.654 10 50 HJCA O=C(O)c1cc(Br)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 15226292 UEZDFUOHJKCJQX-GRDNDAEWSA-N 415.243 4.882 10 50 HJCA FC(F)(F)Cn1ccnc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 727744619 UJZRYFPSHTUUIY-MRXNPFEDSA-N 422.476 4.780 10 50 HJCA Cc1ccccc1OCCn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21 1213282 RKKKQUICQLNAGC-DEDYPNTBSA-N 408.548 4.860 10 50 HJCA Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)cc1 2998572 UGPDQTFMKAQAFD-GZTJUZNOSA-N 405.928 4.595 10 50 HJCA CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 4872673 VLWSNPAIPKZITB-LFIBNONCSA-N 403.912 4.923 10 50 HJCA CCc1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1 2882415 SBZBCVGSTRDXTD-HMMYKYKNSA-N 413.564 4.928 10 50 HJCA O=C1/C(=C/Nc2cccc(F)c2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 100418488 UMTLWDHWXVSACI-FMIVXFBMSA-N 406.364 4.696 10 50 HJCA CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 4747573 XORUVTKTHXDEIZ-NCPSJORJSA-N 407.900 4.664 10 50 HJCA COc1ccc2c(c1)S[C@@H](c1ccc3c(c1)OCO3)CCN2Cc1cnn(C)c1C 14987080 ANBAAEJFSUVBHJ-JOCHJYFZSA-N 423.538 4.710 10 50 HJCA O=C(O)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1 13389324 OEADRPRJNCGXTH-RKVPGOIHSA-N 417.246 4.816 10 50 HJCA CCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 1158242 VZEFETGISLDNBK-OAQYLSRUSA-N 407.470 4.978 10 50 HJCA COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)cc1 1190511 DDUJMGHGCJPJCB-FYJGNVAPSA-N 412.445 4.567 10 50 HJCA COc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1 1202842 KRYNMDLGGITDAO-DHDCSXOGSA-N 406.326 4.864 10 50 HJCA O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccccc1Cl 33342899 WQGBPOGHXQQNCK-NTEUORMPSA-N 409.319 4.540 10 50 HJCA CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)SC1=S 6470477 SKZDHVUCEWTKOF-LICLKQGHSA-N 418.471 4.534 10 50 HJCA Cc1ccccc1Nc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3 1322092 KZKAHVXJMOWKLW-UHFFFAOYSA-N 411.461 4.928 10 50 HJCA Nc1ccc(NC(=O)c2cccc(Sc3cccc(Br)c3)n2)cc1 170676170 CJIIGIJMXOZRHB-UHFFFAOYSA-N 400.301 4.830 10 50 HJCA O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1cccc(C(F)(F)F)c1 1197998 QKESYSPECXDUTG-ZROIWOOFSA-N 405.426 4.988 10 50 HJCA CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(CC)c3ccccc32)SC1=S 2375651 GDNRDBARUZHAEV-MGPWXQLLSA-N 402.585 4.841 10 50 HJCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 100223725 VCMQJKNKSZPWDE-PXLXIMEGSA-N 412.445 4.770 10 50 HJCA Cc1ccc(SCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 2964794 DFINMYXGUYBUHJ-QGOAFFKASA-N 401.578 4.997 10 50 HJCA COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCCCCC4)c23)cc1OC 218091360 NELGYPMGIUNMHY-UHFFFAOYSA-N 409.482 4.763 10 50 HJCA biogenic Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(Cl)cc3Cl)C(=O)N=C2S1 4673671 GIUHIVVFHWRWJN-KBPMXWKNSA-N 415.305 4.969 10 50 HJCA COc1ccc(N2CCN(C(=O)c3ccc(CSc4ccccc4)cc3)CC2)cc1 4818850 PFNHVGLWSJTDCF-UHFFFAOYSA-N 418.562 4.950 10 50 HJCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(F)c3)C2=O)cc1 16770022 ZRPGUTITRSIMQF-PDGQHHTCSA-N 414.527 4.618 10 50 HJCA COc1cccc(O)c1CN1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 20211036 HABITDCFTDIHJJ-SFHVURJKSA-N 407.489 4.685 10 50 HJCA CCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1OCC 15010736 QLEKCKYRDNSDBP-HKWRFOASSA-N 413.564 4.928 10 50 HJCA CCOc1ccccc1N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 4953809 NIYPXWNCNOXOIP-LCYFTJDESA-N 410.314 4.847 10 50 HJCA O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1cccc(C(F)(F)F)c1 4477980 CEWYVMSQSILEPR-VIZOYTHASA-N 409.410 4.840 10 50 HJCA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCSc1ccc(C)cc1 18254470 NERVZBUDFCFDPD-HMMYKYKNSA-N 422.579 4.983 10 50 HJCA COCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 2929879 IIULCNWYRBKKNS-PDGQHHTCSA-N 419.955 4.767 10 50 HJCA COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(Cc2cccnc2)C1=O 15010788 HSYDEVOHQNYOJZ-NSIKDUERSA-N 411.335 4.798 10 50 HJCA CCN1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1 21673375 NGAPBLRRJSKIRT-OAQYLSRUSA-N 415.459 4.686 10 50 HJCA CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(OC)c1 2874055 JRUNMLQKSKCVGG-HXUWFJFHSA-N 423.542 4.618 10 50 HJCA O=C(Cc1ccccc1)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 1197141 OCPQVUDYHPDDRE-VWLOTQADSA-N 412.445 4.902 10 50 HJCA COc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 1053952 GCBFIGSJIVQLGN-UHFFFAOYSA-N 400.272 4.933 10 50 HJCA COCc1cc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)ccc1OC 11879396 BWPSYYGZBOKNGL-QFIPXVFZSA-N 423.532 4.970 10 50 HJCA COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 15011053 IYGHLUHLBXYSPP-MLPAPPSSSA-N 400.308 4.996 10 50 HJCA CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(F)cc1 100506113 MIZNEWGKYAMVQM-AWZKZOKMSA-N 424.417 4.732 10 50 HJCA O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1Cc1cccnc1 6456783 KEKBTWLDEVHUSE-ZDLGFXPLSA-N 423.475 4.651 10 50 HJCA COc1ccc(N2CCN(C(=O)c3csc4c3CC[C@@H](C(C)(C)C)C4)CC2)cc1 2754962 ODTCDTNIGHFITN-QGZVFWFLSA-N 412.599 4.870 10 50 HJCA O=C1C(=Cc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 3129871 HJZIMEIJYYXPJV-UHFFFAOYSA-N 402.837 4.923 10 50 HJCA CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2O)CC1 12441743 QIDDODPADGSMNP-UHFFFAOYSA-N 421.459 4.799 10 50 HJCA Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4OC(C)C)S3)CC2)cc1 13533634 UJPYSKMNSSSKIA-CJLVFECKSA-N 421.566 4.575 10 50 HJCA O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1C[C@@H]1CCCO1 1103550 DEUIIYCVIRICQL-KYYPIKSYSA-N 411.548 4.646 10 50 HJCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1O 19732329 JTMNDQQKGZIBLZ-MOSHPQCFSA-N 400.482 4.618 10 50 HJCA Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 1200824 GVPMHKAPQWOMFQ-NVNXTCNLSA-N 423.346 4.848 10 50 HJCA CC[C@H](C)N1C(=O)/C(=C\c2c(C)[nH]c3ccc(Br)cc23)C(O)=NC1=S 38182456 KGJHCEFKCNUJON-JNNKLVPLSA-N 420.332 4.504 10 50 HJCA CN1CCN(c2ccc(CNc3cccc(CC[C@H](O)c4ccccc4)c3)cc2)CC1 1308316290 LDRWEHHPMIDWDV-MHZLTWQESA-N 415.581 4.717 10 50 HJCA COc1ccc(CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 1164490 CRZBAGRWZOIEJB-YBEGLDIGSA-N 420.353 4.859 10 50 HJCA CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(C)cc2C)SC1=S 5102427 LIDIEKXSOCHXOE-ZHZULCJRSA-N 413.564 4.982 10 50 HJCA CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc2ccccc2n1C 749747890 ICBUPHWOAOHBAK-UHFFFAOYSA-N 406.511 4.520 10 50 HJCA Cc1ccc([C@H](NC(=O)c2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1 2921472 IXSVERHGAIMVET-FQEVSTJZSA-N 403.869 4.817 10 50 HJCA CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4ccccn4)c(=O)oc23)C1 100724192 XAUXRNPLUMFIHE-SSOJOUAXSA-N 404.510 4.961 10 50 HJCA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 648393 YLIPNNVRBGXUEX-IBGZPJMESA-N 423.340 4.508 10 50 HJCA Cc1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c(C)c1 2882532 OBKUHNLXRBMHBU-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA Cc1cc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)ccc1Cl 22257392 LTYXLMUIFVEUQH-LDADJPATSA-N 419.955 4.985 10 50 HJCA Cc1ccccc1N/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100107960 PVVNVGTVVZZGQY-ZRDIBKRKSA-N 402.401 4.866 10 50 HJCA O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCN(c4ccccc4)CC3)c12 218563554 UVNLHDAXWWSACF-UHFFFAOYSA-N 418.518 4.753 10 50 HJCA CCCCc1cc(=O)oc2c(C)c(O)c(C3=NN[C@@H](c4ccc(OC)cc4)C3)cc12 888088252 AOXPCAALSZCMTD-HXUWFJFHSA-N 406.482 4.597 10 50 HJCA COC(=O)c1ccc(NC(=O)c2c(NCc3cccnc3)sc3c2CCCC3)cc1 807703 YELKOMDLELSXKT-UHFFFAOYSA-N 421.522 4.673 10 50 HJCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@H]1c1ccc(Br)cc1 4658682 QOXYKTGEDLAAAB-OALUTQOASA-N 424.294 4.685 10 50 HJCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)c1cccs1 100270865 YFEPGYRICPOBQF-QGOAFFKASA-N 418.474 4.782 10 50 HJCA COc1cccc(/C=C2\SC(=S)NC2=O)c1OCc1c(F)cccc1Cl 16214221 BQWQLUGDBWKKGB-NVNXTCNLSA-N 409.891 4.556 10 50 HJCA O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1cc2cc(F)ccc2o1 1875259143 SIIXYFSBGWTQOU-CYBMUJFWSA-N 422.378 4.727 10 50 HJCA COc1ccc([C@@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1 801017 RFCCQJJHFAITGH-XMMPIXPASA-N 412.489 4.787 10 50 HJCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(Br)o3)C2=O)cc1Cl 8914476 QJBPURSVADGRHJ-XFFZJAGNSA-N 409.623 4.511 10 50 HJCA CCOc1cccc(CN2CCC[C@@H](C(=O)c3cc(Cl)ccc3OC)C2)c1O 11933943 GAFKQFLCDDGVJP-OAHLLOKOSA-N 403.906 4.548 10 50 HJCA O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 2296934 BYPQOYBYXSDEEV-MHWRWJLKSA-N 409.294 4.556 10 50 HJCA CCCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 2918722 XZOAGOIWZKELLD-HXUWFJFHSA-N 407.543 5.000 10 50 HJCA CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2C(=O)Cc2ccccc2)cc1 4757969 QPQPMEWJGUWXAC-UHFFFAOYSA-N 411.509 4.506 10 50 HJCA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccccc3O)C2)cc1 11878855 QFWYOOAZRFCTQX-NRFANRHFSA-N 416.521 4.919 10 50 HJCA O=C1c2ccccc2C(=O)C1C(c1ccc(Cl)cc1)C1C(=O)c2ccccc2C1=O 100291396 MIVTTWPWNWXINT-UHFFFAOYSA-N 414.844 4.814 10 50 HJCA CCCCN1C(=O)/C(=C\C=C\C=C\N(C(C)=O)c2ccc(OC)cc2)SC1=S 25758014 ISXBSMBQXDNJOC-MGLCNQLYSA-N 416.568 4.662 10 50 HJCA Cc1ccc(C2=NC(=O)/C(=C/c3cc4c(cc3Br)OCO4)S2)cc1 1190595 VGRVHZBOILOLOC-APSNUPSMSA-N 402.269 4.547 10 50 HJCA CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 1209939 HUAXBZLEHVKGLD-AQTBWJFISA-N 413.524 4.847 10 50 HJCA Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4C)C3=O)o2)cc1 15724067 QBWGYBGTZKAEMB-AQTBWJFISA-N 418.474 4.714 10 50 HJCA CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)[C@@H](C(=O)O)C1 4651481 BTGQOEKVRMUXOF-HOTGVXAUSA-N 419.543 4.578 10 50 HJCA COc1ccc(-c2nnc(N/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)s2)cc1 105571379 JTKDWAOVRXADAJ-UNOMPAQXSA-N 419.510 4.549 10 50 HJCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 239321925 IXGVBQGFTCJTJG-YBVJTHMASA-N 414.461 5.187 10 50 HJCA Cc1ccc(-n2ncc([C@@H](C)NC3CCN(c4ccc5c(c4)OCO5)CC3)c2C)cc1 952879397 PMSILKGZTJTDPL-GOSISDBHSA-N 418.541 4.537 10 50 HJCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(F)cc1 1183397 ZWOXABRANGGYAG-WJDWOHSUSA-N 420.918 4.709 10 50 HJCA O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 13546265 OROYHRDNKWGRRK-CPNJWEJPSA-N 421.503 4.787 10 50 HJCA CCN(CC)c1ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(OC)c1 2874054 JRUNMLQKSKCVGG-FQEVSTJZSA-N 423.542 4.618 10 50 HJCA O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccco1 14946050 ITONZYCHUQYRQW-YVLHZVERSA-N 412.448 4.849 10 50 HJCA CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 4746822 WGAJXHZWHSXYPP-GHRIWEEISA-N 416.593 4.931 10 50 HJCA Cc1ccc([C@@H](NC(=O)c2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1 2921475 IXSVERHGAIMVET-HXUWFJFHSA-N 403.869 4.817 10 50 HJCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@@H]1c1ccc(Br)cc1 19733268 QOXYKTGEDLAAAB-MOPGFXCFSA-N 424.294 4.685 10 50 HJCA Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 1182656 IQEWWCZIHCPHRA-ATVHPVEESA-N 416.955 4.878 10 50 HJCA Oc1c([C@H](Nc2ccccn2)c2ccc3c(c2)OCO3)cc(Cl)c2cccnc12 2868467 AWFIIRZAMKULBC-HXUWFJFHSA-N 405.841 4.919 10 50 HJCA COc1ccc(CNCc2cc(-c3nc4ccccc4s3)ccc2O)cc1OC 299776105 KESZQCGYAOTPIY-UHFFFAOYSA-N 406.507 4.976 10 50 HJCA CCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 2998931 UJVKVMVMEOBSPC-LJQANCHMSA-N 413.861 4.898 10 50 HJCA CCOc1cccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1O 5102111 HJOYWNZTRJUEOI-QFIPXVFZSA-N 401.466 4.950 10 50 HJCA CCOc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 1208690 XMWUNAYGCXZRMP-NXLLQJLMSA-N 412.492 4.956 10 50 HJCA O=C(CSc1ccc(NCc2ccccc2O)cc1)Nc1cccc([N+](=O)[O-])c1 2544554 CLAOTPANAOUBHZ-UHFFFAOYSA-N 409.467 4.643 10 50 HJCA Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)nc1 661707 ORAWMPCNMUASIJ-VXLYETTFSA-N 406.873 4.548 10 50 HJCA Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc(Cl)cc1 628758 OVLLNORFBAYBHX-UHFFFAOYSA-N 423.929 4.698 10 50 HJCA O=C(Cc1ccccc1)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 1197183 YHPSUOVLLYQOHM-VWLOTQADSA-N 412.445 4.902 10 50 HJCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3Cl)C2=O)cc1 13801759 WWRMMISHRXZRKN-ATVHPVEESA-N 416.955 4.878 10 50 HJCA CCCOC(=O)c1cccc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c1 3959415 WDFFNWWBYMPHQA-UHFFFAOYSA-N 415.445 4.571 10 50 HJCA CCCCCCc1c(C)c2ccc(O)c(CN[C@@H](CC(C)C)C(=O)O)c2oc1=O 206166352 OOSUVHAVUXECOP-IBGZPJMESA-N 403.519 4.519 10 50 HJCA CC[C@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 2695255 FPSGQUDDEKLYRL-DNTCVELPSA-N 422.575 4.912 10 50 HJCA Cc1ccc(C)c(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 2874122 VIWHCXOLPGKBRB-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(C)cc3C)cc2)SC1=S 5102397 QDVJMGTVTYRNMW-ZHZULCJRSA-N 413.564 4.982 10 50 HJCA COc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC 4755276 LOYXKFMCNYZVQD-JOCHJYFZSA-N 401.466 4.863 10 50 HJCA CCN1C(=O)/C(=C/c2cccc(OCCOc3cc(C)cc(C)c3)c2)SC1=S 5102319 ATSSSOPLWRGOQS-ZHZULCJRSA-N 413.564 4.982 10 50 HJCA Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1179552 ZHURHQSGYUFJKG-ATVHPVEESA-N 416.955 4.878 10 50 HJCA CCOC(=O)[C@@H](Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C)c1ccccc1 4754875 GKFMVKUPJIZWPM-QHCPKHFHSA-N 418.445 4.946 10 50 HJCA c1ccc([C@@H](CCNC2CCN(c3ccc4c(c3)OCO4)CC2)c2ccco2)cc1 829065386 FEPFCSSZEFAZFB-JOCHJYFZSA-N 404.510 4.789 10 50 HJCA COc1ccc([C@@H]2CC(c3ccc(OC)cc3O)=NN2C(=O)c2ccc(C)cc2)cc1 1279121 JUJRBATUGXIUJM-QHCPKHFHSA-N 416.477 4.709 10 50 HJCA CCc1ccc(N2N=C(C)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)OC5)o3)C2=O)cc1 4818511 GLIKQPWLTJNMHW-FYJGNVAPSA-N 412.445 4.986 10 50 HJCA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1 1181077 FOSNVMSNMXPCFU-HMMYKYKNSA-N 422.575 4.566 10 50 HJCA COC(=O)c1ccc(COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)cc1 4029748 UIKKAADVURQMRG-UHFFFAOYSA-N 404.418 4.629 10 50 HJCA biogenic CC[C@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)[C@H](CC)CN1C(C)=O 1457224905 CDKIQRAKXHPHEP-RBUKOAKNSA-N 415.965 4.609 10 50 HJCA COc1ccc([C@H]2CC(c3ccc(OC)cc3O)=NN2C(=O)c2ccc(C)cc2)cc1 1279120 JUJRBATUGXIUJM-HSZRJFAPSA-N 416.477 4.709 10 50 HJCA O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(Cc1ccc(N3CCCC3)cc1)CC2 11966239 ZASCYDLCSUDGGL-RUZDIDTESA-N 421.629 4.896 10 50 HJCA CC(C)(C)c1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 19866163 JLXKGKRSTOJRHI-OQKWZONESA-N 419.594 4.772 10 50 HJCA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCSc1ccc(C)cc1 4725047 DCKZGCRNZQUJNN-LDADJPATSA-N 417.577 4.664 10 50 HJCA Cc1ccc(OCCOc2ccc(Cl)c(C)c2)c(/C=C2\SC(=S)NC2=O)c1 22358398 XJKQIZLMICQVDU-WQRHYEAKSA-N 419.955 4.903 10 50 HJCA CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S 4492432 TYPORVFMRIUVTG-WOJGMQOQSA-N 403.500 4.634 10 50 HJCA CN(C)c1ccc(-c2nc3c([nH]2)-c2cnn(-c4ccc(F)cc4)c2CC3(C)C)cc1 5799240 IQSMRBUPPYMSQX-UHFFFAOYSA-N 401.489 4.968 10 50 HJCA COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1OCc1ccccc1 13800315 COPKWAULNXOFIN-RCCKNPSSSA-N 408.523 4.730 10 50 HJCA O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1cccc([N+](=O)[O-])c1 1216603 VPFAFPXPRPATFR-RIYZIHGNSA-N 421.297 4.763 10 50 HJCA Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c1C 1185795 QOHQQCLCWXVAEN-LDADJPATSA-N 420.465 4.534 10 50 HJCA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccco1 1202791 ITONZYCHUQYRQW-LICLKQGHSA-N 412.448 4.849 10 50 HJCA CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCC[C@H](C)C2)c1O 1308554 IZHHXDOFPJSZLO-HNNXBMFYSA-N 417.509 4.836 10 50 HJCA CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(N(C)C)cc1 5063470 IBLAWGMJKROTLV-IBGZPJMESA-N 400.320 4.603 10 50 HJCA CCN1C(=O)/C(=C\c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 20602344 NALNGEZTGHYLIY-OVCLIPMQSA-N 424.887 4.641 10 50 HJCA CCN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S 8444727 AMGIQLKWZMQMHE-YBFXNURJSA-N 423.519 4.819 10 50 HJCA N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 8916208 IYNIQBKQSSSGTI-HGYZZIEJSA-N 424.791 4.781 10 50 HJCA O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 966813 CODGPSBKOVDAHN-ZROIWOOFSA-N 420.309 4.553 10 50 HJCA COc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)c(OC)c1 5799002 QCTSMVYNGPICEG-QHCPKHFHSA-N 401.466 4.863 10 50 HJCA Cn1c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc2ccccc21 749748233 PAGOZYQBOYHLOI-SFHVURJKSA-N 404.539 4.908 10 50 HJCA CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C)C3=O)o2)cc1 2988364 QCMACPFIJNCDMT-SFQUDFHCSA-N 401.509 4.735 10 50 HJCA CCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S 4755901 GFSSUSKZGPDLFD-QGOAFFKASA-N 413.520 4.526 10 50 HJCA CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N=C2S1 15837902 XXKZMVOGOKTNAH-KFMVTFPESA-N 423.454 4.664 10 50 HJCA COc1ccc(/C=C2\SC(S)=NC2=O)cc1COc1ccc(F)cc1Cl 2537626 VHNGYVSXRYNXAJ-APSNUPSMSA-N 409.891 4.967 10 50 HJCA Cc1ccc(Cl)cc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 14009231 GZWFGMGPPFPDCY-NHDPSOOVSA-N 419.937 4.826 10 50 HJCA O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1C[C@H]1CCCO1 15684509 ZFUXTCMUHFVSLE-DISPHTKASA-N 405.928 4.980 10 50 HJCA CC(C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1 1261857 AGXWWAUSOBQQID-UDWIEESQSA-N 412.449 4.774 10 50 HJCA CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 2695130 QGBOBQUYNUIYKS-HNENSFHCSA-N 408.548 4.523 10 50 HJCA CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 4725633 VSULSFYVYPFYHT-XOAFGZPJSA-N 423.003 4.722 10 50 HJCA CCNC(=O)c1ccc2c(c1Sc1ccc(C)cc1)C(=O)c1ccccc1C2=O 4753286 GAGAFEWBUFZMNC-UHFFFAOYSA-N 401.487 4.671 10 50 HJCA COC(=O)[C@@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1)c1ccccc1 1134665 GINQDZKVPSDIRM-DEOSSOPVSA-N 416.429 4.762 10 50 HJCA aggregator,biogenic CCCCOc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1OC 16804829 GBHSOXNYANZUKA-PDGQHHTCSA-N 403.525 4.869 10 50 HJCA CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2c(CN(C)C)c1O 1159034 YCFWQMNILNVQMZ-UHFFFAOYSA-N 409.379 4.948 10 50 HJCA COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1O 1194981 HIKOVHKQAXROBF-OVCLIPMQSA-N 411.426 4.825 10 50 HJCA CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 1214884 PWTZGJOLXWSFTL-RGEXLXHISA-N 424.591 4.715 10 50 HJCA CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21 30838928 UEIZCDDZPJSZTJ-OQKWZONESA-N 421.500 4.742 10 50 HJCA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1806837 GYQIRCYVGHOEPR-HZQOKBKYSA-N 419.527 4.737 10 50 HJCA aggregator O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1COc2ccccc2O1 247812484 BCHLTZWNSYXZTH-ZCYQVOJMSA-N 411.457 4.591 10 50 HJCA CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1 4802442 CUQHZBANAWNMLN-UYRXBGFRSA-N 406.869 4.932 10 50 HJCA CCOc1cccc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c1O 13545283 PNTBUADRDKJBID-MRXNPFEDSA-N 407.432 4.905 10 50 HJCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)[nH]c4ccc([N+](=O)[O-])cc34)C2=O)cc1C 34234563 ALMUUOCIOHKFGI-ZDLGFXPLSA-N 418.409 4.508 10 50 HJCA CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1 4656085 SXQCYXYJEHRJRB-STVBAYNWSA-N 402.838 4.768 10 50 HJCA O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCOCC1 22130517 ACOANLCLMFXACO-UHFFFAOYSA-N 408.461 4.954 10 50 HJCA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccccc3O)C2)cc1 11878854 QFWYOOAZRFCTQX-OAQYLSRUSA-N 416.521 4.919 10 50 HJCA Cc1ncc2n1CC[C@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc3ccccc13)C2 1875259953 VNNWILGXEAZTDY-CPJSRVTESA-N 411.505 4.519 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCC2 2772071 SIXQTILVKGYZMI-CABCVRRESA-N 421.559 4.803 10 50 HJCA O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc2ccccc12 1171283 ZSEWHPJWHBLJOP-MHWRWJLKSA-N 411.244 4.813 10 50 HJCA COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 4853188 UCUFBCHCPDAEHF-ZSOIEALJSA-N 405.237 4.506 10 50 HJCA COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Br 2824221 NSSYUKZPPJZFIN-MHWRWJLKSA-N 420.353 4.859 10 50 HJCA O=C(O)c1cc(Br)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 15226290 UEZDFUOHJKCJQX-JKIFEVAISA-N 415.243 4.882 10 50 HJCA CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC1=S 5090834 QEFQPYIOIFLJLI-XSFVSMFZSA-N 408.548 4.941 10 50 HJCA COc1cccc(C(=O)COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)c1 1152131 AWRDQOZZWQVZTM-UHFFFAOYSA-N 404.418 4.534 10 50 HJCA CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 2381740 QTZKGAGNGPTZCE-UHJIQDEKSA-N 404.340 4.694 10 50 HJCA Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 5093282 FWTVEMKFYRYQHG-SFQUDFHCSA-N 416.593 4.985 10 50 HJCA Cc1cc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)ccc1Cl 2874308 GAQCEZMQNMGVRA-LDADJPATSA-N 419.955 4.985 10 50 HJCA C[C@H](COc1ccccc1)COc1ccc(Cl)cc1/C=C1/SC(=S)NC1=O 22241911 BSPFHQNFSXAHSY-HVOBPNNYSA-N 419.955 4.923 10 50 HJCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 101720085 WUBPSKBVPVZFFO-PXLXIMEGSA-N 400.409 4.851 10 50 HJCA O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CCN(Cc1ccccc1O)CC2 14881322 AEHRPOXNAUASAB-QHCPKHFHSA-N 418.581 4.623 10 50 HJCA COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 226963882 GAQUWELBUQSRHR-AVRDEDQJSA-N 407.857 4.692 10 50 HJCA CC(/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)=C\c1ccccc1 12342793 LDZQUNCQSFRUPO-NEVULKFESA-N 409.532 4.530 10 50 HJCA O=C1/C(=C/Nc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 100424592 DXQDTIFDZNFFQI-XSFVSMFZSA-N 418.840 4.995 10 50 HJCA O=C1NC(=S)S/C1=C/c1ccc(OCCCOc2ccccc2Cl)cc1 4755343 WLXBKFXDUFOOCZ-SFQUDFHCSA-N 405.928 4.677 10 50 HJCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCCC3)C2=O)cc1 13765296 VUUFEKGYLMMAHH-CYVLTUHYSA-N 416.612 4.679 10 50 HJCA COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 169681521 FASNEEZZSIEOSE-PGRDOPGGSA-N 407.857 4.692 10 50 HJCA O=C(O)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1 871800 OEADRPRJNCGXTH-DAYGRLMNSA-N 417.246 4.816 10 50 HJCA Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1 8396441 DDHQZBSPQJJTFK-WOJGMQOQSA-N 422.824 4.704 10 50 HJCA COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 15906852 KNXAONOSWVEDJD-DHDCSXOGSA-N 406.326 4.864 10 50 HJCA CN1CCN(c2ccc(CNc3cccc(CC[C@@H](O)c4ccccc4)c3)cc2)CC1 1308316289 LDRWEHHPMIDWDV-HHHXNRCGSA-N 415.581 4.717 10 50 HJCA O=C(C[C@@H](Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(=O)O)c1ccccc1 4145951 XMSLTHISAKVCBH-HXUWFJFHSA-N 407.853 4.709 10 50 HJCA Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 5555264 KEQUKFDTGZAMNS-FOWTUZBSSA-N 402.566 4.677 10 50 HJCA CCCCCN1C(=O)/C(=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 13534141 IDYSZYJCWJAQBC-HNENSFHCSA-N 408.548 4.999 10 50 HJCA CCOc1cccc(CN2CCC[C@H](C(=O)c3cc(Cl)ccc3OC)C2)c1O 11933944 GAFKQFLCDDGVJP-HNNXBMFYSA-N 403.906 4.548 10 50 HJCA CC(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 2915807 SUEIOGNVICHNOG-OQLLNIDSSA-N 419.333 4.948 10 50 HJCA Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 1217542 OFDHCAQEQFULKJ-WJDWOHSUSA-N 402.566 4.595 10 50 HJCA N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 4725421 XJLQNZVECQVUDB-ZUGBYVCQSA-N 412.474 4.808 10 50 HJCA O=S1(=O)N=C(N(Cc2ccccc2O)c2cccc3ccccc23)c2ccccc21 1123784 PYDUUBMJRQJMDE-UHFFFAOYSA-N 414.486 4.701 10 50 HJCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)c(C)c1 22309890 TZNUTCBPLHZILA-XDHOZWIPSA-N 421.547 4.687 10 50 HJCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1Cl 9322175 ACSGMTPBPUXPTB-BOPFTXTBSA-N 424.815 4.714 10 50 HJCA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Br)cc1 1100588 MWNOCHFVWIGMAI-NVNXTCNLSA-N 420.309 4.584 10 50 HJCA CCCCN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 13774043 WNRILSWAGSJPFI-VXPUYCOJSA-N 422.575 4.647 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCC2 2765237 INLYLINKPDKDEZ-HUUCEWRRSA-N 419.543 4.579 10 50 HJCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)cc1 240936904 SFQKUKBSPUOLCV-MCDSLLMFSA-N 420.512 6.642 10 50 HJCA CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2[N+](=O)[O-])SC1=S 1159312 XVHZPGSBQBRHBH-SXGWCWSVSA-N 420.899 4.658 10 50 HJCA Cc1cccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1C 2882522 GDYIVCJHXTWWFR-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c3c2C(=O)c2ccccc2C3=O)cc1 13940193 HMLADVGAFVRFCB-MDWZMJQESA-N 417.848 4.776 10 50 HJCA COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 15724529 KSEFZBNALZDSBA-DHDCSXOGSA-N 423.437 4.898 10 50 HJCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)cc1 1217379 CORROSVORKDPQQ-GXDHUFHOSA-N 408.957 4.632 10 50 HJCA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1[N+](=O)[O-] 100505322 WBWAWSLACAOJID-BFQBXFRASA-N 406.427 4.593 10 50 HJCA O=C1C(=Cc2ccc(O)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 1179010 CYRHZMDSLIJPCB-UHFFFAOYSA-N 418.836 4.629 10 50 HJCA Cc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1C 2874216 JZPBTPKDYXBYFO-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)cc1 2966270 PHBGXPXXEUEUBW-LDADJPATSA-N 419.955 4.937 10 50 HJCA CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1O 16156143 DIDFRDRAMLBMSI-ZROIWOOFSA-N 410.779 4.793 10 50 HJCA O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1916903 PHARQFMHEBRBHX-JYRVWZFOSA-N 404.340 4.840 10 50 HJCA O=C1/C(=C\c2cc(Br)ccc2F)SC(=S)N1Cc1ccccc1 15011911 VUHPJHSONOIOKK-OQLLNIDSSA-N 408.317 4.990 10 50 HJCA O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Br)c1 1227044 GTKBAXRNGHERSI-ZSOIEALJSA-N 421.297 4.763 10 50 HJCA CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C1O 17045302 KKBJKSJVJPXCRA-QGOAFFKASA-N 404.397 4.519 10 50 HJCA C[C@H]1CCCN(c2ccc(CNc3ncnc4[nH]c(C(F)(F)F)nc34)cc2Cl)C1 1875335039 QHNOLTLVPJJUPP-NSHDSACASA-N 424.858 4.874 10 50 HJCA Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 991336 UJPKAYOBPOTMOD-UHFFFAOYSA-N 412.283 4.896 10 50 HJCA O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1ccccc1F 1159816 OBISXSRKAMRYGL-ZSOIEALJSA-N 410.289 4.700 10 50 HJCA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 2810700 OPLUUZFUCDXNRD-LGMDPLHJSA-N 416.304 4.909 10 50 HJCA COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OCc1ccccc1 1176733 ASYRCKGNKXNKRG-UHFFFAOYSA-N 410.466 4.520 10 50 HJCA CCCCC(=O)N[C@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 2815032 HIWLPHWNQGEALE-JXOMPUQVSA-N 405.454 4.910 10 50 HJCA CCN(CC)CCOc1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1 95918041 NRGGPGXWKCFKEG-UHFFFAOYSA-N 406.526 4.882 10 50 HJCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(F)c1 5094047 PVHKJXWLXGLITH-RVDMUPIBSA-N 406.529 4.507 10 50 HJCA COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 226963891 GAQUWELBUQSRHR-PGRDOPGGSA-N 407.857 4.692 10 50 HJCA CC(C)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N=C2S1 9438979 ZZUFUNHXIUWDQC-QAPXJYDZSA-N 422.485 4.680 10 50 HJCA O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 16213505 ATUXBULWUSPHHD-RIYZIHGNSA-N 420.309 4.553 10 50 HJCA CCn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c2ccccc21 33560229 PBFBPNDVGVSFDV-YVLHZVERSA-N 409.898 4.986 10 50 HJCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 9427775 FMAZQFFSLVAUBJ-UYRXBGFRSA-N 420.852 4.829 10 50 HJCA O=C1NC(=S)S/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 16213519 OQIRVYUHLYALDE-AUWJEWJLSA-N 410.303 4.701 10 50 HJCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O 22023144 MOTWWDMFZMLBJX-NDENLUEZSA-N 406.873 4.654 10 50 HJCA N=C1S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N1c1ccc(F)cc1 4658796 FPVUDTKUKQIBKB-ZCXLDBAHSA-N 408.410 4.840 10 50 HJCA Cc1ccccc1COc1ccc(Br)cc1/C=C1/SC(=S)NC1=O 15856156 KGFFFSGMNKNQGP-CXUHLZMHSA-N 420.353 4.825 10 50 HJCA O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccco1 1187727 AZRAQXLNELEFSN-UYRXBGFRSA-N 421.499 4.900 10 50 HJCA CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(F)cc1 100506108 MIZNEWGKYAMVQM-DUPNKOKHSA-N 424.417 4.732 10 50 HJCA Oc1ccc(-c2nc3ccccc3s2)cc1CN1CCN(c2ccccc2)CC1 12190919 RMUGSQDUPOBDHG-UHFFFAOYSA-N 401.535 4.991 10 50 HJCA CC1=NN2C(=N)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1 4758609 ONOIEVBQTPOBHW-IBERAMNCSA-N 413.506 4.637 10 50 HJCA COc1ccc(-c2c(C)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1OC 20231847 IINMZGISHVSUFF-OAHLLOKOSA-N 423.509 4.866 10 50 HJCA biogenic O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 978022 GYQIRCYVGHOEPR-QIYXJHPLSA-N 419.527 4.737 10 50 HJCA aggregator O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCCC1 1805188 BDDJWBZILDUIRO-SAPNQHFASA-N 422.641 4.959 10 50 HJCA CCOc1ccc(CN[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1CO 14960762 MIBUXPIGTOMPCZ-HSZRJFAPSA-N 405.542 4.547 10 50 HJCA O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1 1005558 SCMIFULAAWZRIB-WJDWOHSUSA-N 402.928 4.570 10 50 HJCA CCOc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc([N+](=O)[O-])c1O 36152134 KPPJUKQJALZSCP-GRSHGNNSSA-N 417.421 4.658 10 50 HJCA N=C1/C(=C/c2ccc(Br)cc2)C(=O)N=C2SC=C(c3ccccc3)N12 4547556 FNJJUQUPHXVPOO-SRRKIXIOSA-N 410.296 4.753 10 50 HJCA Cc1cccc(-c2nc3c(c(SCC(=O)c4ccc(O)c(O)c4)n2)CCCC3)c1 1130320 FUMGDMGBZJMRHU-UHFFFAOYSA-N 406.507 4.717 10 50 HJCA O=C(Cc1ccccc1)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 1197143 OCPQVUDYHPDDRE-RUZDIDTESA-N 412.445 4.902 10 50 HJCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nccs1 1805191 QFLUREJKQPCWOW-ACCUITESSA-N 423.610 4.605 10 50 HJCA O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1C[C@H]1CCCO1 1103548 DEUIIYCVIRICQL-PQDCBLBRSA-N 411.548 4.646 10 50 HJCA CCN1C(=O)/C(=C/c2cc(OC)ccc2OCc2ccccc2F)SC1=S 1165039 NEPVLBKOXQNRJT-WQRHYEAKSA-N 403.500 4.634 10 50 HJCA COc1ccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 13320494 GPRAXTQYKSOGQB-UHFFFAOYSA-N 413.827 4.722 10 50 HJCA N#CC1(C#N)[C@H]2CCCCCCCCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1ccncc1)O3 136462931 YYQWGEUXAVURMY-WNXIRNOKSA-N 417.513 4.931 10 50 HJCA COc1cc(/C=C2\SC(N)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl 5558458 YBNKVKLQRCYOTA-APSNUPSMSA-N 409.294 4.510 10 50 HJCA CCN(Cc1ccccc1)C1CCN(Cc2cc(Br)ccc2O)CC1 4703476 HSRJUIYSYAXNIE-UHFFFAOYSA-N 403.364 4.641 10 50 HJCA CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 8837757 CSFYSHYJEKJOIJ-WPTKKBASSA-N 422.485 4.824 10 50 HJCA CN1C(=O)N=C(O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O 2260499 GWXXWMRANDTPOL-NTUHNPAUSA-N 405.237 4.504 10 50 HJCA Cc1ncc2n1CC[C@@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc3ccccc13)C2 1875259952 VNNWILGXEAZTDY-CJFMBICVSA-N 411.505 4.519 10 50 HJCA COc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)c(OC)c1 5799006 QCTSMVYNGPICEG-HSZRJFAPSA-N 401.466 4.863 10 50 HJCA C[C@@H](N=[N+]=[N-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C 307761598 CROKTHKWGISSKF-JLTOFOAXSA-N 422.485 4.934 10 50 HJCA COc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc34)c2)cc1 1154977 UNMFYVOWHVAHIY-UHFFFAOYSA-N 421.474 4.727 10 50 HJCA C/C(NCc1ccco1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100095461 KUCQDHXKGNBWCP-HKWRFOASSA-N 414.490 4.704 10 50 HJCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3cccs3)cc2)SC1=S 1165021 XXODCXPVCZNUQE-IEMQHYRPSA-N 403.550 4.967 10 50 HJCA FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1ncnn1-c1ccccc1 798367245 ANSSVTHKVSPARF-UHFFFAOYSA-N 415.444 4.985 10 50 HJCA O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Br)c1 1193285 UJNWVXIFQLUVLY-ZSOIEALJSA-N 421.297 4.763 10 50 HJCA CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2ccc(OC)cc2O)CC1 12454883 QSZVXSINBHOBET-UHFFFAOYSA-N 411.542 4.569 10 50 HJCA O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccccc1 1029072 PTFKXLKBMVOQEA-ZSOIEALJSA-N 409.319 4.540 10 50 HJCA COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O 1227486 XHWZKQIMHYGMFE-NVNXTCNLSA-N 422.325 4.569 10 50 HJCA CN(C)C1=NC(=O)/C(=C\c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)S1 263639921 OLVKSRZTQFAQCB-VGOFMYFVSA-N 411.836 4.953 10 50 HJCA O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 1087656 CELQNOCWABHQCF-VZWMTCDZSA-N 405.928 4.980 10 50 HJCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 13943881 GPNCFBXVJUMNTK-CXUHLZMHSA-N 423.918 4.898 10 50 HJCA CCOC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1Cl 17918429 GDLVUUREYRZTTI-UNOMPAQXSA-N 411.889 4.852 10 50 HJCA CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1Cl 5025042 KZRPCUXBUOEGCP-UHFFFAOYSA-N 405.837 4.766 10 50 HJCA C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)C[C@H](C)O1 5093328 RRYSTCATLXOMHY-ZASVFINYSA-N 402.903 4.680 10 50 HJCA CC/C(NCc1ccco1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100158079 KKBMHWBEQANCMU-QINSGFPZSA-N 420.416 4.608 10 50 HJCA COC(=O)[C@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1)c1ccccc1 1134666 GINQDZKVPSDIRM-XMMPIXPASA-N 416.429 4.762 10 50 HJCA aggregator,biogenic C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)OCc1ccccc1 1778900 AYTNKXQDXZJQFE-KRWDZBQOSA-N 400.430 4.971 10 50 HJCA COc1ccc(CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1OC 12368485 UBFSTPJGTWJVAS-LDADJPATSA-N 419.955 4.801 10 50 HJCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1 19800475 FAVHZJQWXYULJF-CPNJWEJPSA-N 421.547 4.769 10 50 HJCA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1 5953981 OCIKZZVAZLUVMG-ILXRZTDVSA-N 421.559 4.658 10 50 HJCA COc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c(OC)c1C 15011174 RRJPWTHSPWCQGI-RGEXLXHISA-N 413.564 4.846 10 50 HJCA O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Oc2ccc(F)cc2)cc1Cl 1775976538 ROVKZPIJRPQXBP-WOJGMQOQSA-N 418.877 4.574 10 50 HJCA CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)SC1=S 1118196 KUUCHXRGPAYWDT-YBEGLDIGSA-N 421.902 4.919 10 50 HJCA CCCCC1(C)OC(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)O1 2120977 TXZSCKDWLWBGBJ-UHFFFAOYSA-N 418.829 4.688 10 50 HJCA COc1ccc2c(c1)S[C@H](c1ccc3c(c1)OCO3)CCN2Cc1cnn(C)c1C 14987078 ANBAAEJFSUVBHJ-QFIPXVFZSA-N 423.538 4.710 10 50 HJCA Cc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1C 2882413 STGKQEVWFBXWQN-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA Cc1cc2c(cc1C)C(=O)[C@H]1C[C@H]3C(=O)c4cc(C)c(C)cc4C(=O)[C@H]3C[C@@H]1C2=O 101094159 UDIRYGOAIRBKNW-MYGLTJDJSA-N 400.474 4.637 10 50 HJCA O=C(/C=C/c1c(F)cccc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 4613804 MEVBMFCAHKLGSO-VAWYXSNFSA-N 405.812 4.906 10 50 HJCA COC(=O)c1cc(N/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C)ccc1Cl 8430469 STXWLYUDTZXQBF-UYRXBGFRSA-N 419.868 4.998 10 50 HJCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)Nc3cc(C)cc(C)c3)ccc12 2853880 ZQWKICKXPQCPQT-UHFFFAOYSA-N 403.434 4.589 10 50 HJCA CCOc1ccc(N2C(=O)/C(=C\c3c(C)[nH]c4ccccc34)C(O)=NC2=S)cc1 34234521 WIXLFNSELJBFSQ-PDGQHHTCSA-N 405.479 4.547 10 50 HJCA Cc1cc2c(cc1C)C(=O)[C@@H]1C[C@@H]3C(=O)c4cc(C)c(C)cc4C(=O)[C@@H]3C[C@@H]1C2=O 43214922 UDIRYGOAIRBKNW-ZDNVTZCJSA-N 400.474 4.637 10 50 HJCA COc1cc(Br)c(O)c(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1 670685 RWLZXORNGPFUFJ-NVNXTCNLSA-N 404.285 4.533 10 50 HJCA O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 13536009 OJAZDPCUXIACET-XSFVSMFZSA-N 423.494 4.630 10 50 HJCA CCOC(=O)[C@H](Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C)c1ccccc1 4754874 GKFMVKUPJIZWPM-HSZRJFAPSA-N 418.445 4.946 10 50 HJCA CCCc1sc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C(=O)OCC)c1C 100514130 GTLCEXHKCQKOMV-GHRIWEEISA-N 411.527 4.904 10 50 HJCA CCn1c(-c2ccc(Br)cc2)cnc1SCc1nnc(C2CC2)n1C 749748298 UWDJFJVVFMDOJQ-UHFFFAOYSA-N 418.364 4.631 10 50 HJCA Cc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 14010215 DGQGUJJPFWSMSY-MTJSOVHGSA-N 423.875 4.980 10 50 HJCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3cc([N+](=O)[O-])ccc3OC)ccc12 1164342 UQOMXBANVYPTAW-UHFFFAOYSA-N 421.405 4.759 10 50 HJCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 15723637 FTQGVTBYECBJJG-MOSHPQCFSA-N 400.394 4.588 10 50 HJCA O=C(Cc1ccccc1)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 1197184 YHPSUOVLLYQOHM-RUZDIDTESA-N 412.445 4.902 10 50 HJCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1cccc(C)c1 1179927 KDVXVVWWCQAKPJ-CXUHLZMHSA-N 405.928 4.725 10 50 HJCA O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 2381884 BMSIUYNXHXLUPO-XNTDXEJSSA-N 407.900 4.666 10 50 HJCA Cc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c(C)c1 2874070 KXPUMOUMIAWEDD-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(O)=NC(=S)N1c1ccc(F)cc1 1266139 QVRJNVCMDPWLRR-VZUCSPMQSA-N 411.241 4.510 10 50 HJCA O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1c1ccccc1 1195224 CWUVGYXETFALQY-SFQUDFHCSA-N 419.418 4.526 10 50 HJCA C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)C[C@@H](C)O1 5093330 RRYSTCATLXOMHY-ZDFMGPMUSA-N 402.903 4.680 10 50 HJCA CC(C)N1C(=O)/C(=C/c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)SC1=S 1019142 IGKUMIZOOIERFX-PXNMLYILSA-N 422.459 4.516 10 50 HJCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 1176647 WYOUCVLHOZZGKL-XDHOZWIPSA-N 410.564 4.706 10 50 HJCA CCN1/C(=C2\SC(=S)N(C3CCCCC3)C2=O)Sc2ccc(OC)cc21 33711085 YSHLPJWGXZMTFB-FBMGVBCBSA-N 406.598 4.989 10 50 HJCA CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)sc2c1CCCC2 100695099 VFGCIZXKYSPXCD-AQTBWJFISA-N 423.538 4.831 10 50 HJCA O=C(O)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 2873661 OEADRPRJNCGXTH-VKJFTORMSA-N 417.246 4.816 10 50 HJCA Cc1cc(C)cc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 2882661 JOIPTZRSJGWRLB-XSFVSMFZSA-N 413.564 4.982 10 50 HJCA CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCC2 2772070 SIXQTILVKGYZMI-GJZGRUSLSA-N 421.559 4.803 10 50 HJCA O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2025944 IRNIRFQMWORVLH-MLPAPPSSSA-N 414.291 4.539 10 50 HJCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 1198517 XHGQBWBQRKAWAO-NTUHNPAUSA-N 421.236 4.604 10 50 HJCA O=C1NC(=S)S/C1=C/c1ccccc1OCCCOc1ccccc1Cl 2878417 TUFUMUWPPHDXQX-SFQUDFHCSA-N 405.928 4.677 10 50 HJCA Cc1cc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)ccc1Cl 22228974 MSHZIOUMTARYNZ-PDGQHHTCSA-N 419.955 4.937 10 50 HJCA CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 2826035 QTZKGAGNGPTZCE-CHDKLRHSSA-N 404.340 4.694 10 50 HJCA COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1Br 1188281 WPNWBEYGXGSBQY-XNTDXEJSSA-N 412.374 4.992 10 50 HJCA Cc1ccc(C(=O)N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 408822055 DGIRDCDWSWTNDB-XNTDXEJSSA-N 418.337 4.799 10 50 HJCA CC(C)(C)N1C(=O)N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 8738028 ZXNDXWDHJISWPK-UYRXBGFRSA-N 401.466 4.790 10 50 HJCA COC(=O)c1cc(COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)c(C)o1 1184814 PFZWYNSSXXPJIS-UHFFFAOYSA-N 408.406 4.530 10 50 HJCA O=C(CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1 4844976 OYNMNXAQHAUTFI-UHFFFAOYSA-N 407.828 4.825 10 50 HJCA CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)cc1 1236392 XJVCXTCRKZYGND-AQTBWJFISA-N 412.536 4.637 10 50 HJCA C[C@H](NCC1(N[C@H](C)c2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1O 242389690 ZZPBDEILIIAQND-SJORKVTESA-N 422.491 4.962 10 50 HJCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)Nc3c(C)cccc3C)ccc12 1130488 CKRQWOPVJPANGZ-UHFFFAOYSA-N 417.461 4.898 10 50 HJCA Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 1132169 MGUCDPRIAUQWFS-RGVLZGJSSA-N 409.848 4.984 10 50 HJCA CCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(OCC)c1 15010747 PPYWBOQJQCKLDS-ZHZULCJRSA-N 413.564 4.928 10 50 HJCA CCN1C(=O)/C(=C/c2ccc(OCCOc3cc(C)ccc3C)cc2)SC1=S 2977165 NFCUCOBKCMQPLY-ZHZULCJRSA-N 413.564 4.982 10 50 HJCA O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1cccc([N+](=O)[O-])c1 16701297 LMGVKNTUJVZKDK-HMMYKYKNSA-N 407.495 4.520 10 50 HJCA O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1COc2ccccc2O1 247812461 BCHLTZWNSYXZTH-ILBGXUMGSA-N 411.457 4.591 10 50 HJCA COc1cc(Cl)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1OC 1104115 ZROAIEZYUDQAOF-WQRHYEAKSA-N 419.955 4.801 10 50 HJCA CCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 16805228 LWUFXYMOZJCTTI-VXPUYCOJSA-N 422.575 4.913 10 50 HJCA CN(C)c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Br 16267441 WVKQVETXKNSNKS-DHDCSXOGSA-N 423.357 4.510 10 50 HJCA O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1CCc1ccccc1 1167493 IOIUDJNTKOGHPX-WJDWOHSUSA-N 420.353 4.599 10 50 HJCA CCCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 4819603 UHPDWQKIXLQASP-SFQUDFHCSA-N 400.481 4.789 10 50 HJCA CCN1C(=O)/C(=C\c2ccc(COc3ccc(Br)cc3)o2)SC1=S 8455555 IDGJIRGOHYPWED-OQLLNIDSSA-N 424.341 4.842 10 50 HJCA O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc(Cl)cc1 2310521 AUZYRJWHZSPVOP-QGOAFFKASA-N 418.349 4.786 10 50 HJCA