smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN[C@@H](C)CCc4ccco4)[C@@H]3C[C@H]12 1323489 YKAOGMQSLHIEKX-NBLFJFHISA-N 371.521 4.505 30 40 FJEB C[N+](C)(CCOC(c1ccccc1)c1ccccc1)CC(=O)c1ccccc1 1664720 PLSKDYUMBLLIDH-UHFFFAOYSA-N 374.504 4.752 30 40 FJEB N#Cc1ccc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1 3354227 PUTDSKVEBYWNNM-UHFFFAOYSA-N 359.357 4.502 30 40 FJEB CC(=O)Nc1sc(N/N=C/c2ccc(C)cc2)nc1-c1ccc(C)cc1 4939471 MHEOVJXBVWPLCR-CIAFOILYSA-N 364.474 4.831 30 40 FJEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3)cc2)cc1 5794766 JCBNLXNQNKNEAZ-RCCKNPSSSA-N 351.427 4.513 30 40 FJEB C=CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 6855844 QZLZMKLBUJAQBZ-UHFFFAOYSA-N 366.686 4.957 30 40 FJEB CC(C)Cc1nc(NCCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 13777832 UKYGSELXYDPCTG-UHFFFAOYSA-N 363.505 4.658 30 40 FJEB N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccc(Cl)cc2)c1N 989185 RBCYYJHAGYCVNH-UHFFFAOYSA-N 353.834 4.830 30 40 FJEB COc1ccc(/C(C)=N/Nc2nc(Cl)c(Cl)cc2Cl)c(OC)c1 6512989 CVOQWXTVUZNAJR-DNTJNYDQSA-N 374.655 4.895 30 40 FJEB COc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3)N=C2O)ccc1O 6641569 FNGPFVVJJFBXHQ-NVNXTCNLSA-N 360.822 4.786 30 40 FJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(C)c3)c12 8229806 AYUOHIZVSWHUNS-OUKQBFOZSA-N 355.441 4.988 30 40 FJEB N#Cc1c(Cl)nsc1N[C@H]1CCCc2cc(OC(F)F)ccc21 58555712 CYONGOYSASQDCW-LBPRGKRZSA-N 355.797 4.759 30 40 FJEB COc1cc2c(cc1OC)[C@@H](C)N(C/C(O)=N/c1cc(C)cc(C)c1)CC2 82100498 FMSSXEYVLVLGCB-MRXNPFEDSA-N 368.477 4.528 30 40 FJEB CC1=NOC(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408943339 RZTFSRBRKKVOAO-OVCLIPMQSA-N 362.212 4.889 30 40 FJEB CCN1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)SC1=Nc1ccccc1 409372685 GLCANXJADBNNMN-VTPWGRHDSA-N 352.459 4.633 30 40 FJEB C[C@H]1C[C@H](C)CN(c2cc(C(F)(F)F)c(C#N)c3nc4ccccc4n23)C1 1467907 BLKQSOGNHGNRQP-STQMWFEESA-N 372.394 4.860 30 40 FJEB COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C)cc3C)n2)cc1 4175509 WUNNZBRWCDQDFQ-MOHJPFBDSA-N 362.458 4.775 30 40 FJEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1 4703710 JRWSCPYNVQAEAY-BUVRLJJBSA-N 374.440 4.772 30 40 FJEB Cc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)cc1 5612295 MBLRPODTELEVPQ-OEAKJJBVSA-N 356.429 4.896 30 40 FJEB N#C[C@@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc2ccccc2[nH]1 6315864 VBNBKRKOXDFQKN-INIZCTEOSA-N 365.392 4.677 30 40 FJEB Cc1nnc(Sc2ccc(/C=N/c3cccc(Cl)c3)cc2[N+](=O)[O-])[nH]1 6588364 JYLIJYIYMIYCMG-GIJQJNRQSA-N 373.825 4.577 30 40 FJEB C=CCSc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 6838577 QLEYWBSRFQWXBP-UHFFFAOYSA-N 367.499 4.587 30 40 FJEB CCCCCCCCCCCCNC(=O)c1c(O)[nH]c2ccccc2c1=O 29747663 LFXKAXGKAJHITL-UHFFFAOYSA-N 372.509 4.884 30 40 FJEB Cc1cc(C)cc(C(=O)Nc2ccc(Oc3ccc(CC#N)cc3)nc2)c1 32915454 HKLJOCGOHIHWPQ-UHFFFAOYSA-N 357.413 4.809 30 40 FJEB C/C(=N\N=c1/[nH]c(C)c(C)s1)c1ccc(OCc2ccccc2)cc1 59503443 IMVKTEMBPOJICR-PXLXIMEGSA-N 351.475 4.597 30 40 FJEB C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1 101170105 JWLZILSXRBYLTR-ZFILCQGISA-N 367.492 4.881 30 40 FJEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224933728 SXHSXORVRSOVNR-UHFFFAOYSA-N 360.237 4.514 30 40 FJEB Cc1ccc(S(=O)(=O)N(C)C#C[Si](C(C)C)(C(C)C)C(C)C)cc1 1772715117 CXOGCFZBPJZIKO-UHFFFAOYSA-N 365.615 4.794 30 40 FJEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(C(C)(C)C)cc2)cc1 2329738 KVMGPMIWESCAFY-BKUYFWCQSA-N 366.490 4.796 30 40 FJEB C=CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 14249364 MSQDWLAGCDNBCH-UHFFFAOYSA-N 366.442 4.636 30 40 FJEB COc1ccc2cc(/C=C/C(=O)c3ccc(N4CCOCC4)cc3)ccc2c1 48231703 KVGQZLRGIPZEMT-QDEBKDIKSA-N 373.452 4.581 30 40 FJEB C(=N/c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)\c1cccs1 57227615 OZQNVGGUGNGNJE-HAVVHWLPSA-N 361.514 4.821 30 40 FJEB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)c(C#N)c1 225851939 XESJXGURXZEPQV-UHFFFAOYSA-N 358.482 4.805 30 40 FJEB N#Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 4599531 RAKZIIFUUFXYFT-FYYLOGMGSA-N 351.409 4.801 30 40 FJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)c1 5376648 YANXCVOANQQJBD-YBFXNURJSA-N 361.470 4.687 30 40 FJEB COc1cc(C#N)cc(Br)c1OCc1ccc(Cl)cc1 11801939 YWXKYXNZIZYGGT-UHFFFAOYSA-N 352.615 4.562 30 40 FJEB Cc1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)o1 13758325 DJGCNQNFPOXUAK-UNOMPAQXSA-N 352.386 4.690 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)ccc1OC 20484948 RGLOQOKGNWAVEK-UHFFFAOYSA-N 373.836 4.506 30 40 FJEB CCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl 408530219 LKSWKZSOUDVVQT-WJDWOHSUSA-N 358.850 4.630 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 2087770 RDKWTBULQNEFPV-FJIJXJHWSA-N 368.541 4.718 30 40 FJEB Clc1ccc(CO/N=C/c2c(Cl)nc3sccn23)c(Cl)c1 3027890 DGNLBMNWPKBASD-UBKPWBPPSA-N 360.653 4.907 30 40 FJEB O=C(O)C(=O)/C(=C\c1cccc2ccccc12)c1ccc2ccccc2n1 6829880 GIQGCIWBMMAIEN-RGEXLXHISA-N 353.377 4.582 30 40 FJEB aggregator Cc1ccc(COc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2)cc1 33347425 OSKNZQXOFYPRGM-JCMHNJIXSA-N 369.420 4.919 30 40 FJEB CCCCCCCCNC[C@H](O)COc1ccc(SC(C)C)cc1 56898731 ZAPDURRCHSKKKK-SFHVURJKSA-N 353.572 4.877 30 40 FJEB in-man CCCCCCCCCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 102335036 JZQHIAASGXPPRV-UHFFFAOYSA-N 365.430 4.764 30 40 FJEB CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1cc(C)ccc1C 408907430 NNEDPIJVTDJTBJ-KDWIEBRMSA-N 352.459 4.633 30 40 FJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(SC)cc3)S2)cc1 408954602 TYZGKFMAQPWGFU-SFQUDFHCSA-N 370.499 4.699 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)c3ccccc3OC(F)F)n2)cc1 3422924 MMWUZKNANKCCNN-UHFFFAOYSA-N 371.368 4.535 30 40 FJEB N#CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 4093252 NXCRCCSZOFDYQR-UHFFFAOYSA-N 372.453 4.615 30 40 FJEB CC(C)C[C@@H]1C/C(=N\O)c2cc(-c3ccc(Br)cc3)nnc2C1 5188663 FFJOSDDJTPBMON-MVGOPGGASA-N 374.282 4.693 30 40 FJEB Cc1sc2ncnc(N/N=C3\C(O)=Nc4ccc(C(C)C)cc43)c2c1C 6201016 JPDMOHJUFQXSNE-UHFFFAOYSA-N 365.462 4.849 30 40 FJEB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(C#N)cc1 8706961 FOCFCARIFXQDDO-OPAMFIHVSA-N 353.425 4.886 30 40 FJEB COc1ccccc1/N=c1\scc(-c2ccco2)n1/N=C/c1ccco1 12655585 JAWVLVXXMRITPB-DAEVNUGZSA-N 365.414 4.526 30 40 FJEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc([N+](=O)[O-])c1 16711344 LGDWFWLOCBSXRD-VXPUYCOJSA-N 367.430 4.552 30 40 FJEB CCC[N+]1(CC#C[C@@](O)(c2ccccc2)C2CCCCC2)CCCCC1 1766911 WYWXDUIHDMWKHW-XMMPIXPASA-N 354.558 4.869 30 40 FJEB Cc1cccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 1773793 HPTFXVXPZDRKKA-OAHLLOKOSA-N 368.502 4.851 30 40 FJEB COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2C(C)C)cc1 4329408 KXCIPLYPHWFMOQ-UHFFFAOYSA-N 364.474 4.699 30 40 FJEB CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 5309423 KRBJECGCLMEFFZ-UHFFFAOYSA-N 354.866 4.782 30 40 FJEB C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 6650149 DIZZJKKXOONYAK-QGZVFWFLSA-N 371.440 4.576 30 40 FJEB Cc1cc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3c(C)noc3n2)c(C)o1 11557952 YALZARLCSMLMRK-UHFFFAOYSA-N 372.384 4.532 30 40 FJEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N/c2ccc(F)cc2)NC1=O 13424431 PXYLFRZSUMFUJR-YVLHZVERSA-N 351.406 4.507 30 40 FJEB N#C[C@@H]1[C@@H](c2ccccc2OCc2ccccc2)CC(=O)N1c1ccccc1 26896019 WHACCFHOBSITJA-FGZHOGPDSA-N 368.436 4.678 30 40 FJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC(C)C)o3)o2)cc1C 33027222 RKGFBTGGIDSPKG-UHFFFAOYSA-N 351.406 4.822 30 40 FJEB Cc1sc2nc(SCC3(C#N)CC3)n(C3CCCC3)c(=O)c2c1C 89565222 OBDJYSUGRXISNS-UHFFFAOYSA-N 359.520 4.586 30 40 FJEB CCCCCCCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 105420348 FSXPSZURUZVGQR-UHFFFAOYSA-N 358.404 4.511 30 40 FJEB CCCCc1ccc2nc(NC(=O)COc3ccc(C#N)cc3)sc2c1 3313065 LAJQHJNUUBWHRF-UHFFFAOYSA-N 365.458 4.528 30 40 FJEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1N1CCCCCC1 12418881 BAPGUQPOMMZMKD-UHFFFAOYSA-N 363.417 4.766 30 40 FJEB COc1cccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c1 12862090 DFXHUWGVDDUZAX-XKZIYDEJSA-N 358.393 4.890 30 40 FJEB biogenic CCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1 20672550 KGVJNGGACUDNRF-OAQYLSRUSA-N 361.445 4.703 30 40 FJEB CN(C)c1ccc(/C=C2\S/C(=N/c3ccc4ccccc4c3)NC2=O)cc1 34894848 MUJGHSONBGIOOH-MOSHPQCFSA-N 373.481 4.797 30 40 FJEB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C#N 225832521 UEHONGFZKAFSOO-IERDGZPVSA-N 358.482 4.661 30 40 FJEB Cc1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C#N)c1C 408629309 WJZCVRDISHUILM-UHFFFAOYSA-N 367.386 4.657 30 40 FJEB C=CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409119553 WXZLWHARIUYOMH-UYRXBGFRSA-N 363.457 4.803 30 40 FJEB C=CCOc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 409346104 NFUCAPQBJRZDAA-LGMDPLHJSA-N 359.516 4.785 30 40 FJEB N#Cc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7078110 UMXXBHHFGMDJCE-UHFFFAOYSA-N 371.469 4.925 30 40 FJEB COc1ccc(/C(C)=N/Nc2ccnc3cc(Cl)ccc23)cc1OC 7949651 ZIUROHVRQSDFSU-WSDLNYQXSA-N 355.825 4.742 30 40 FJEB ClC(/C=N\N1CCN(Cc2ccccc2Cl)CC1)=C\c1ccccc1 16771375 UCTUKMAOYUINRI-GWJJEOHVSA-N 374.315 4.723 30 40 FJEB CCOC(=O)c1c(-c2ccccc2)csc1N/C=C/C(=O)C(F)(F)F 102945489 NBIYESDTTQROED-CMDGGOBGSA-N 369.364 4.649 30 40 FJEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc2ccccc2c1 225064866 MSKLNNSFAUIPLH-UHFFFAOYSA-N 367.470 4.620 30 40 FJEB Cc1ccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl 408593376 PLEBYJVVJDFDGI-CIAFOILYSA-N 369.808 4.898 30 40 FJEB COc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1OC 870199 VWOBGEJVWZZCGD-CIAFOILYSA-N 350.443 4.677 30 40 FJEB C[C@H]1CCc2c(sc(NC(=O)CCCOc3ccccc3)c2C#N)C1 1771090 XVWGXAYRXDSQGS-AWEZNQCLSA-N 354.475 4.542 30 40 FJEB CN(C)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N 2403118 CMVJGSUPZYIDHO-UHFFFAOYSA-N 353.809 4.512 30 40 FJEB C=C(C)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 2619033 KVYHOSUTGWXHMS-UHFFFAOYSA-N 367.474 4.620 30 40 FJEB CCc1ccccc1/N=C1/NC(=O)/C(=C\c2cn(C)c3ccccc23)S1 5376636 YQTYLSSUUFTZBG-XDHOZWIPSA-N 361.470 4.632 30 40 FJEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/C=C/c1ccco1 5376748 LJBMATZVRSHXRM-BOAPOFAJSA-N 364.348 4.746 30 40 FJEB CC(C)(C)C(=O)/C=C/Nc1ccc(Br)cc1Br 18122062 HUXQDRZPNFNMAW-VOTSOKGWSA-N 361.077 4.752 30 40 FJEB C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2 71839355 NGKNDMQKLYNKOB-JKSUJKDBSA-N 363.505 4.617 30 40 FJEB C=CCOc1ccc(NC(=S)NCCCSCc2ccccc2)cc1 225598834 FXCKQCBFEXSRGM-UHFFFAOYSA-N 372.559 4.861 30 40 FJEB CCOC(=O)c1cccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c1 409393269 WQRLPFDUUAFVHB-UHFFFAOYSA-N 372.376 4.586 30 40 FJEB CC(C)c1ccc(/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 5807931 YFHRQTNXQCHASK-QGZVFWFLSA-N 358.894 4.925 30 40 FJEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14397898 SPVIBQDDOUWIEG-MRXNPFEDSA-N 353.462 4.955 30 40 FJEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 30940785 HCYAIZFMWWWYBI-SFHVURJKSA-N 364.489 4.736 30 40 FJEB C[C@H]1CCc2c(sc(NC(=O)c3cccc(OC(F)F)c3)c2C#N)C1 2739433 IPDOUVKZBZMPBR-JTQLQIEISA-N 362.401 4.598 30 40 FJEB S=C(NN=C(Cc1ccccc1)Cc1ccccc1)NC1CCCCC1 5784009 VWYOBCDHFITHJA-UHFFFAOYSA-N 365.546 4.625 30 40 FJEB COc1ccc(-c2nnc(SCCC#N)n2[C@@H]2CCCC[C@@H]2C)cc1 6974770 PASOOUJCAGJQIL-WMLDXEAASA-N 356.495 4.711 30 40 FJEB CCN(C(=O)CSc1ccc(F)c(F)c1)[C@H](C)c1ccc(C#N)cc1 45500044 XZEVEAAJVCRWGL-CYBMUJFWSA-N 360.429 4.538 30 40 FJEB Cc1sc(CCNc2ccc([N+](=O)[O-])cc2C#N)nc1-c1ccccc1 75109738 MFBLMHPBCAZDJG-UHFFFAOYSA-N 364.430 4.553 30 40 FJEB N=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)[C@H]1c1nccs1 136799944 VGWPULMGXGXLHI-AOXLQZBSSA-N 370.430 4.960 30 40 FJEB N#Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)c(C(=O)O)c3)o2)cc1 409022175 HRJRLEXHRZDOIF-JJFYIABZSA-N 350.761 4.920 30 40 FJEB CCOc1ccc(-c2nc(C#N)c(NCc3ccc(Cl)cc3)o2)cc1 2366798 WFCVZQYJXQIUGY-UHFFFAOYSA-N 353.809 4.877 30 40 FJEB COc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1 4785640 XQZVHESVZCKBJB-GAOQUDRGSA-N 364.533 4.802 30 40 FJEB N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 14908499 ADYRYAKBLFHPMJ-UHFFFAOYSA-N 358.241 4.848 30 40 FJEB N#Cc1ccccc1-c1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)o1 15018826 HZBWTYSFLWFXDH-UNOMPAQXSA-N 371.421 4.710 30 40 FJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1cccs1 16751365 MDCIJKOKHNIJEL-KRWDZBQOSA-N 373.449 4.574 30 40 FJEB CC(C)CCN1C(=O)/C(=N\Nc2nc3ccccc3s2)c2ccccc21 102984993 AXPBGAVBZISPHH-PYCFMQQDSA-N 364.474 4.505 30 40 FJEB N#CCc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1 225808510 QXPTVDYUPGAQIN-UHFFFAOYSA-N 359.498 4.825 30 40 FJEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(Cl)c1 409401660 BRCSHOOKVASYCD-UHFFFAOYSA-N 359.816 4.599 30 40 FJEB COc1cccc(-c2nc3cc(/N=C/c4cccc(OC)c4O)ccc3o2)c1 1435690 BVQFDOMAHWHBRU-YDZHTSKRSA-N 374.396 4.968 30 40 FJEB O=C(Nc1cccc2ccccc12)C(F)(F)C(F)(F)OC(F)(F)F 3145252 PQUCOHKVXVZKIP-UHFFFAOYSA-N 355.209 4.543 30 40 FJEB Fc1cccc(/C=N/Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1 3896043 URZYFSHRQFIZCL-FOKLQQMPSA-N 360.314 4.748 30 40 FJEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C)c(C)cc(C)c1C 5697555 ALVPXQMEIOIMKX-RGEXLXHISA-N 356.382 4.573 30 40 FJEB Cc1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])cc1 6831786 GHWYHKDUZCROFW-UHFFFAOYSA-N 372.384 4.771 30 40 FJEB O/N=C/c1ccccc1OCc1nc2ccccc2nc1-c1ccccc1 16492039 XQIFZMDUMAGXBY-OEAKJJBVSA-N 355.397 4.684 30 40 FJEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 18198717 NITSVLCIJMEQRB-GOSISDBHSA-N 369.848 4.574 30 40 FJEB N#Cc1nc(-c2cccs2)oc1NC[C@H](c1ccco1)N1CCCCC1 27992875 IZTISROOPTYBKQ-OAHLLOKOSA-N 368.462 4.507 30 40 FJEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N1CC 408786807 WFGWMZVSYQJOIJ-JLZFKDTQSA-N 371.481 4.545 30 40 FJEB CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)C(=O)N1CC 408845410 GSKICTORKXZIKG-CXDOZEDNSA-N 371.481 4.545 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 409099363 QORWGMUUOZTASB-LDADJPATSA-N 366.486 4.933 30 40 FJEB CSc1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 4517491 DGVMQHGRYOILLQ-UHFFFAOYSA-N 351.456 4.656 30 40 FJEB CCC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2C)C1=O 4934149 KFGYIMDRBXRGCJ-NSJLDRRZSA-N 371.531 4.691 30 40 FJEB CCCCCCCCOCCNC(=O)Nc1ccc(Br)cc1 33354659 BJISJMFEHPJGQN-UHFFFAOYSA-N 371.319 4.948 30 40 FJEB N#Cc1c2c(c(N/N=C\c3ccccc3)n3c1nc1ccccc13)CCCC2 36049165 QTPMOTOMGHBVIS-MYYYXRDXSA-N 365.440 4.684 30 40 FJEB COc1ccc(-c2nsc3c2N=C(O)C[C@@H]3c2ccc(C#N)cc2)cc1 40268260 PMYCJINUNQUUMJ-MRXNPFEDSA-N 361.426 4.814 30 40 FJEB C=CCN(C(=O)c1cnc(-c2ccc(OC)cc2)s1)c1ccccc1 74241150 AFNKYWAMTRROPU-UHFFFAOYSA-N 350.443 4.652 30 40 FJEB Cc1sc(NC=C2C(=O)CC(C)(C)CC2=O)nc1-c1ccc(F)cc1 103840894 BGUPRAGTFZWTET-UHFFFAOYSA-N 358.438 4.512 30 40 FJEB C=C1C[C@@]2(CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O 118936602 WGTHPOGRDPMMBQ-DVWPCDKSSA-N 356.506 4.552 30 40 FJEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cccc4ccccc34)C2=O)s1 138453130 MXCLHNRWHGVXEB-KZEIVDJJSA-N 365.483 4.672 30 40 FJEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OC 408815067 UDKKUWUXDSCPLJ-AQTBWJFISA-N 351.427 4.665 30 40 FJEB F[C@@H](C(F)(F)F)C(F)(F)COc1cccc(NCC(F)(F)F)c1 1083811855 ZLXVOICLPHMAJH-SECBINFHSA-N 355.200 4.575 30 40 FJEB Cc1ccc(NC(=O)CCC(=O)[C@H](C#N)c2ccc(Cl)cc2)cc1C 1622561 CIAOLGIQNCAKAM-GOSISDBHSA-N 354.837 4.552 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C#N)cc2c1 4849178 MILHJYYKQDGODH-KBXCAEBGSA-N 367.518 4.510 30 40 FJEB C/C(=N\Nc1ccc2ccccc2n1)c1nc2ccccc2n1C(F)F 54278961 AJRCHIPYKAENBN-WYMPLXKRSA-N 351.360 4.816 30 40 FJEB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC(C)CC1 225856810 APYSKLXFAGMMQC-UHFFFAOYSA-N 358.482 4.659 30 40 FJEB COC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1Cl 408961039 QDYBNMPIURMQRW-LPYMAVHISA-N 356.853 4.786 30 40 FJEB C[C@@H](Nc1oc(COc2ccc(Cl)cc2)nc1C#N)c1ccccc1 2393802 RUYOIJWJWAYSFD-CYBMUJFWSA-N 353.809 4.952 30 40 FJEB C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(OC)cc1 2454452 PSUHQVHVOQHIRK-UHFFFAOYSA-N 355.438 4.571 30 40 FJEB O=C1N/C(=N\N=C\C=C\c2ccccc2)S/C1=C\C=C\c1ccccc1 16754387 HXUNLSARTCTCJE-ODNOWZKSSA-N 359.454 4.502 30 40 FJEB C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1 59417096 OFUHBHVEHIIGRL-XYGWBWBKSA-N 356.429 4.978 30 40 FJEB C=CCCC(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 59520287 HVLZMPDUTZUKKR-UHFFFAOYSA-N 352.478 4.746 30 40 FJEB CN(C)c1ccc(/C=N/c2nnc(SCc3ccccc3)s2)cc1 100969637 YXUJNYOIRDDHNK-XDHOZWIPSA-N 354.504 4.647 30 40 FJEB CCOc1ccc2cc(C3=C/C(=N/Nc4ccccc4C)C(=O)O3)ccc2c1 408725060 GORRKFMYGGWFNZ-DAFNUICNSA-N 372.424 4.913 30 40 FJEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccsc1 408961862 OTKJNKBRXMILMV-IZZDOVSWSA-N 355.271 4.947 30 40 FJEB N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1 3908523 OFHGDDXTHLRIQR-UHFFFAOYSA-N 358.184 4.772 30 40 FJEB COc1cccc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)c1OC 7449757 JINXGGQCVZSRLH-OAQYLSRUSA-N 367.470 4.970 30 40 FJEB CCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1 17207072 NFUZBXVFEQBYSJ-AQTBWJFISA-N 355.821 4.863 30 40 FJEB CCCCc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1 409013071 SMTSNRUYPNWRPC-WXUSHSQQSA-N 355.434 4.640 30 40 FJEB CC[C@@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409093982 CDXDVLLEXQAPDA-BCFXSHNWSA-N 367.371 4.732 30 40 FJEB C=CCC(CC=C)(NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1807206 BLOKOJXVESURTN-BUHFOSPRSA-N 362.429 4.772 30 40 FJEB C=CCc1c(C)nc2sc(C(=O)Nc3ccc(C)cc3)c(N)c2c1C 13282602 FWZMDFHVAYPBES-UHFFFAOYSA-N 351.475 4.785 30 40 FJEB Cc1cccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)nc2)c1 18164694 HJKVNICCYXDOJN-HIXSDJFHSA-N 361.832 4.651 30 40 FJEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(F)cc2)cc1 20762849 WPEZCOBVFLJEPT-ZVHZXABRSA-N 364.420 4.537 30 40 FJEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 24965611 HDAOKGKMNUKMTD-UHFFFAOYSA-N 369.449 4.550 30 40 FJEB CC(C)COC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N 33011167 ZMVMDCQWPUWRAR-UHFFFAOYSA-N 360.866 4.565 30 40 FJEB CC1CCN(C/C(O)=N/c2ncc(Cc3ccccc3Cl)s2)CC1 49640489 CWPAPAUTHROVIW-UHFFFAOYSA-N 363.914 4.707 30 40 FJEB C=CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225578683 YOGAWUCYSTZJQF-GOSISDBHSA-N 368.502 4.840 30 40 FJEB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 225762885 MTSHNSMZTGVZCF-UHFFFAOYSA-N 352.409 4.547 30 40 FJEB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C#N)cc1F 408627832 ODUNKMBGLLJVLV-UHFFFAOYSA-N 370.387 4.801 30 40 FJEB COc1cc(C(=O)/C=C/Nc2ccc(C(C)C)cc2)cc(OC)c1OC 409061702 GHVKMLMUPLPLTI-ZHACJKMWSA-N 355.434 4.644 30 40 FJEB Cc1ccccc1NC(=O)CSc1nc(-c2cccs2)ccc1C#N 850139 NCWUBMXLQYZMTC-UHFFFAOYSA-N 365.483 4.721 30 40 FJEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(C)ccc3ccccc23)n1 878210 LHJAVARLCWVKTP-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3)c2C#N)C1 2736230 LJCUZZGKCGQDRT-CQSZACIVSA-N 368.502 4.788 30 40 FJEB N#CC1(C#N)[C@@H](/C=C/c2ccccc2)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2 4655611 BDWJSXYNKWTYLA-AQNBWRCLSA-N 356.469 4.765 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(OCC)cc1 4744434 FETMRLLADWYZBA-LRXSNBMBSA-N 364.470 4.875 30 40 FJEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(Cl)c1 5477693 KJEWHIACFJFZAI-UHFFFAOYSA-N 369.877 4.760 30 40 FJEB CCOc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1OC 6338088 MMWAEGZXGOKJRC-MDZDMXLPSA-N 361.235 4.753 30 40 FJEB COc1ccccc1NC(=S)N/C(=N\c1ccccc1)c1ccccc1 8036198 VYHTYIMDDIRXFB-UHFFFAOYSA-N 361.470 4.760 30 40 FJEB N#CCc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 8126314 QMNSESPSKSRMKR-UHFFFAOYSA-N 365.285 4.931 30 40 FJEB S=c1[nH]c(-c2ccccc2)cn1/N=C/c1ccccc1Br 13282059 POPWRJLTVYJUGG-VCHYOVAHSA-N 358.264 4.857 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 21167722 ZWFHGYWMJMCZSA-HNNXBMFYSA-N 365.864 4.786 30 40 FJEB C=CCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 26687223 LCDSWMDBVKCYCJ-GHRIWEEISA-N 359.516 4.785 30 40 FJEB Cc1ccc(-n2c(C)cc(/C=N/NC(=S)Nc3ccccc3)c2C)cc1 28217516 WNVVPWOIPJCKRG-HYARGMPZSA-N 362.502 4.723 30 40 FJEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cc2cccc(C)c2nc1Cl 28922937 OPNLHDWHLGXPCP-HXUWFJFHSA-N 363.848 4.949 30 40 FJEB C=CCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1C)c1ccccc1 58699309 RXARGEHGKGXIFP-UHFFFAOYSA-N 351.837 4.667 30 40 FJEB CC1(C)[C@@H]2CC=C(/C=N/n3c(S)nnc3-c3ccccc3Cl)[C@@H]1C2 102980060 OGOGUNCUNDDLJR-BSMREUMHSA-N 358.898 4.714 30 40 FJEB CCOc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1OC 5863780 UZFCAKCTFNXRQJ-GZIVZEMBSA-N 373.762 4.607 30 40 FJEB COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c(OC)c1OC 7743550 UTTKOJLBRYRCRO-XBXARRHUSA-N 367.228 4.915 30 40 FJEB CCN1C=C(C(=O)/C=C/c2ccc(C)cc2)[C@H](c2ccc(C)cc2)NC1=O 12408157 QYTIAKGHDZKJLY-FZNBYNMYSA-N 360.457 4.556 30 40 FJEB CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN3CCCCCC3)CC[C@@H]21 12659058 UWQHCHABBAIPPF-ODGPQVTHSA-N 367.533 4.963 30 40 FJEB O=C1Nc2ccc(Br)cc2/C1=N/c1ccc(Cl)c(Cl)c1 18156528 LGWFPLGKJQEJGN-UHFFFAOYSA-N 370.033 4.829 30 40 FJEB N#Cc1cc([N+](=O)[O-])ccc1N[C@H](COCc1ccccc1)c1ccccc1 72293832 UWWWJJQBMDPAPY-JOCHJYFZSA-N 373.412 4.836 30 40 FJEB COc1cc(/C=N/N2CCCCC2)ccc1OCc1ccccc1Cl 3245718 SUDHGOCSJDQCBK-HYARGMPZSA-N 358.869 4.747 30 40 FJEB COC(=O)c1ccc(N/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 4706672 XBURFVUPBBWFHK-CMDGGOBGSA-N 350.201 4.589 30 40 FJEB Oc1ccc2oc3c(c2c1/C=N/c1ccc(Br)cn1)CCCC3 5394903 FJXBGBIGMDEKAI-UFFVCSGVSA-N 371.234 4.925 30 40 FJEB CN(CCC#N)c1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 5611292 PDLOGWAMILOHIQ-ZVHZXABRSA-N 363.852 4.684 30 40 FJEB Cc1cc(C(=O)C[n+]2ccc3ccccc3c2)c(C)n1-c1ccccc1F 7714660 HCPOYKZJDUWMHP-UHFFFAOYSA-N 359.424 4.557 30 40 FJEB CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CCN3CCCCCC3)CC[C@@H]21 12659061 UWQHCHABBAIPPF-SSPYTLHUSA-N 367.533 4.963 30 40 FJEB biogenic Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59678392 MTNNADKSGADGKE-SSDVNMTOSA-N 368.820 4.902 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1nnc(SCC(C)C)s1 224497373 CGWMUNOTVIGLGA-UHFFFAOYSA-N 365.549 4.817 30 40 FJEB Cc1cc(Br)cc(/C=N/c2ccccc2N2CCCC2)c1O 2221010 NFVZYYHGXOLESI-UDWIEESQSA-N 359.267 4.814 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 4674720 JJDVNFGMUMDWJQ-XDHOZWIPSA-N 366.486 4.933 30 40 FJEB C=CCn1c(=N)n(C[C@H](O)c2ccc(-c3ccccc3)cc2)c2ccccc21 20082437 CYLGNYPAHRKAGZ-QHCPKHFHSA-N 369.468 4.509 30 40 FJEB Cc1nc2sc3c(-c4ccccc4)c(C#N)c(N)nc3c2c2c1CCC2 20458942 BVGQDSXDIKBEHU-UHFFFAOYSA-N 356.454 4.763 30 40 FJEB Cc1cccc(OCCNc2nc(Cl)c(C#N)c(Cl)c2Cl)c1 29469722 VKBOJWJNDZBJKU-UHFFFAOYSA-N 356.640 4.713 30 40 FJEB COc1ccc([C@H]2N=C(SC)N(c3ccccc3)C(C)=C2C(C)=O)cc1 408731669 OREGCAQTEVYWQN-HXUWFJFHSA-N 366.486 4.839 30 40 FJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2)C(=O)N1CC 408908404 DUSFAHNBYQIZET-KLPPEWMLSA-N 366.486 4.882 30 40 FJEB Cc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)o1 409305750 NUTBMASKPXJBAF-UHFFFAOYSA-N 369.380 4.593 30 40 FJEB CC(C)c1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C#N)cc2c1 4848974 INYMBNQRFYYRHW-OAHLLOKOSA-N 367.518 4.580 30 40 FJEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Br 5128719 OEQLPNOYLRDQBC-SOFGYWHQSA-N 366.598 4.907 30 40 FJEB Cc1ccc(NC(=O)O/N=C(\c2ccccc2)[C@@H](O)c2ccccc2)cc1 6923069 SNYCOZNMVPTUMF-VLBGROSNSA-N 360.413 4.681 30 40 FJEB CCN1C(=O)/C(=C\Nc2ccc(C)cc2)S/C1=N\c1ccc(C)cc1 18082027 WPUMEIHLATZNQK-PVTBXJRFSA-N 351.475 4.840 30 40 FJEB Cc1cc(N2CCCC2)c(F)cc1/C=N\Nc1ccc(C(F)(F)F)cn1 107926004 SAYSLWFYLYAWST-VROXFSQNSA-N 366.362 4.594 30 40 FJEB N=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@H]1c1nccs1 138100334 NESHSZKCFWCNAH-DDTOVUNLSA-N 355.271 4.868 30 40 FJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/O)cc1Cl 409079400 BBGYUIJZFMOGGC-FBCYGCLPSA-N 360.675 4.867 30 40 FJEB N#Cc1ccc(OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)cc1 3278303 LIILTXFTQATIEU-JOCHJYFZSA-N 361.372 4.884 30 40 FJEB Cc1ccccc1/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3 4808045 YKINWHNTWGFEEC-SRZZPIQSSA-N 350.374 4.984 30 40 FJEB Brc1ccccc1/C=N\N=C\c1ccccc1Br 4974449 UQXSQQHKLNFMFJ-BUOZRGFLSA-N 366.056 4.665 30 40 FJEB NC(=O)c1c(/N=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 5567869 SKXQCMSIPLGPRY-DNTJNYDQSA-N 353.274 4.783 30 40 FJEB C/C(=N\NC(=S)Nc1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1 5788360 GJNIAAKFYXZIIH-FSJBWODESA-N 361.461 4.973 30 40 FJEB Cc1cc[n+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1 7712730 HHVZYCAGIUWZNG-UHFFFAOYSA-O 369.897 4.726 30 40 FJEB CN(C)/C=C/C(=O)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 10339477 BZJWNKXMSKRGLM-ZHACJKMWSA-N 352.821 4.519 30 40 FJEB CC(/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)=C\c1ccccc1 33684925 AEIWRXJWGCFDOT-GNPDMUCJSA-N 353.535 4.509 30 40 FJEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1ccc(C(=O)O)cc1 104283832 CWLNIMBEUSXFMH-VHXPQNKSSA-N 361.405 4.742 30 40 FJEB N#Cc1cccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)c1 206994678 PVIHCOKVCHXGPK-SFHVURJKSA-N 356.878 4.532 30 40 FJEB Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408943670 LTKPERHMTRZMOD-LSHDLFTRSA-N 353.809 4.591 30 40 FJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1O 3191638 ITRHSIOLGCQXJK-UDWIEESQSA-N 359.813 4.695 30 40 FJEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 3422312 LECPUEGCWWFDMV-KRWDZBQOSA-N 372.424 4.543 30 40 FJEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccccc1 4776153 XOMQALDGBOJCNG-UHFFFAOYSA-N 373.433 4.749 30 40 FJEB CC(C)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 5123959 OIFGYNHOUUTVQJ-KLPPEWMLSA-N 365.502 4.765 30 40 FJEB COc1cccc2cc(-c3csc(N/N=C(\C)CC(C)C)n3)c(=O)oc12 5632767 LDCXOMPFJZMNCH-CIAFOILYSA-N 371.462 4.759 30 40 FJEB C/C(=N\Nc1nnc(-c2ccccc2)n1C)c1ccc(-c2ccccc2)cc1 98054901 YCSQIYBEFIXDLK-JJIBRWJFSA-N 367.456 4.985 30 40 FJEB O=C(/C(=C/Nc1cccc(Cl)c1)C(=O)C(F)(F)F)c1cccs1 100862385 GUNHNELRHOARNF-FLIBITNWSA-N 359.756 4.712 30 40 FJEB O=C1Nc2ccc(C(F)(F)F)cc2/C1=N/Nc1cc(Cl)cc(Cl)c1 223746047 VIKULZQPWPWLLG-UHFFFAOYSA-N 374.149 4.781 30 40 FJEB CC1=NOC(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc12 408937707 JNMCQRVGCBTMQY-LDADJPATSA-N 361.372 4.874 30 40 FJEB CCn1c(C)cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c1C 409108720 XIXQJPYZHGKPIV-WQRHYEAKSA-N 353.491 4.633 30 40 FJEB COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1O 785141 LUCWUWXYJPJGKO-HSZRJFAPSA-N 372.424 4.622 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@H]2c1ccccc1 4180853 LVAPHSMCGXPXPD-FQEVSTJZSA-N 370.456 4.603 30 40 FJEB Nc1cc(/N=C\c2ccc3c(c2)OCO3)cc(-c2nc3ccccc3o2)c1 5338682 JYNBFOBOOVMCTP-KSEXSDGBSA-N 357.369 4.556 30 40 FJEB C=CCNCc1ccc(-c2ccc(Br)cc2Br)o1 13730699 JAPGJDYZINFLGM-UHFFFAOYSA-N 371.072 4.747 30 40 FJEB N#Cc1cccnc1Oc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 40106956 PYCDPOBILUNCHT-UHFFFAOYSA-N 367.767 4.790 30 40 FJEB CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O 95869969 CTQQHQGBBMYJPT-VYVMALSDSA-N 364.526 4.916 30 40 FJEB CCCCCCCNCc1cc(Br)c(OC)c(OCC)c1 102566573 GEGAEQSKQAZBGW-UHFFFAOYSA-N 358.320 4.916 30 40 FJEB C#CCOC(=O)c1cc(Cl)c(-c2cc3ccccc3oc2=O)c(Cl)c1 226357419 FMVJUUOURDSWHW-UHFFFAOYSA-N 373.191 4.557 30 40 FJEB CC(C)Oc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1 408601268 JMLJCLUNOQPUMT-UUYOSTAYSA-N 351.475 4.855 30 40 FJEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl 408938521 KTGZDUXXDPLJNA-SFQUDFHCSA-N 352.821 4.711 30 40 FJEB CCn1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c1C 409101262 XQDUHKGMKBFDII-SXGWCWSVSA-N 359.882 4.670 30 40 FJEB Oc1ccccc1NCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083811822 UWRWGAJOKSUDLX-UHFFFAOYSA-N 355.200 4.868 30 40 FJEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)C)cc1 634046 USVJZGIOGXDHLZ-HXUWFJFHSA-N 359.425 4.648 30 40 FJEB N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1/C=C/c1ccccc1 4655610 BDWJSXYNKWTYLA-FZIRTFLYSA-N 356.469 4.765 30 40 FJEB CN(CCOc1ccccc1F)Cc1ccc(-c2ccccc2C#N)cc1 12978601 YEMHXTWACUVHCW-UHFFFAOYSA-N 360.432 4.875 30 40 FJEB N#Cc1ccsc1NC(=O)/C=C/c1cc(Cl)ccc1OC(F)F 24844628 QJTKUIYHTAPWEG-DAFODLJHSA-N 354.765 4.526 30 40 FJEB Cc1cc(C)nc(N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)n1 34859345 YMUUJUDEWCWJSR-GRSHGNNSSA-N 358.854 4.937 30 40 FJEB N#Cc1c(N)nc(SCc2ccccc2Cl)nc1C1CCCCC1 225895002 MRSKMCSMKSBUBZ-UHFFFAOYSA-N 358.898 4.924 30 40 FJEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1C 408560452 IEDLYVDHAZJHOC-UHFFFAOYSA-N 374.554 4.676 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)NCc1cccc(C)c1 408707490 NMDKFPBDODNQFT-UHFFFAOYSA-N 360.542 4.648 30 40 FJEB COc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1Cl 1433903 IDDUIUMCEUZQJT-QGMBQPNBSA-N 354.631 4.876 30 40 FJEB C=CCNc1nc(C(=O)OCc2csc(-c3ccc(C)cc3)n2)cs1 10135138 IBQIPFBBLYRVGS-UHFFFAOYSA-N 371.487 4.530 30 40 FJEB Fc1cc(Br)cc(F)c1OC(F)(F)[C@@H](F)C(F)(F)F 59087454 QSAUPLUHLMXWHD-ZETCQYMHSA-N 359.010 4.599 30 40 FJEB N#CCCCOC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 69841113 WOXOOSWDHRYGTE-UHFFFAOYSA-N 373.437 4.972 30 40 FJEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1cccnc1 408932799 ZHVNRVZNYOOMCI-MYKKPKGFSA-N 358.367 4.954 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccs1 847510 YJUXGAAKPFXDIO-SFHVURJKSA-N 361.466 4.686 30 40 FJEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3F)s2)cc1 12776752 QJGPSYKTWOKJKT-UHFFFAOYSA-N 371.824 4.650 30 40 FJEB Cc1ccc(NC[C@H](O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 95117276 CARWMYFSNAPMBL-SFHVURJKSA-N 372.468 4.526 30 40 FJEB O=[N+]([O-])c1cccc(/N=C\c2cccn2-c2cccc(Br)c2)c1 409018159 XVHIWFXJBNBIBB-UNOMPAQXSA-N 370.206 4.899 30 40 FJEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1OCc1ccccc1Cl 2297736044 SRJCDUMDQYRJLH-UHFFFAOYSA-N 372.701 4.835 30 40 FJEB C=CCn1c2ccccc2c2nnc(SCc3ccccc3F)nc21 1097763 HQDNONLLKLFENC-UHFFFAOYSA-N 350.422 4.597 30 40 FJEB N#CC1(C#N)[C@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl 1399443 RHDKLJWYHDVRDA-CVEARBPZSA-N 374.202 4.518 30 40 FJEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(OCCC(C)C)cc1)O2 2705051 HRGWIQOFWJGDFP-NDENLUEZSA-N 366.413 4.514 30 40 FJEB biogenic,in-vitro Cc1cccc(-c2nc3n(n2)[C@@H](c2cccc(C)c2)C2=C(CCCC2=O)N3)c1 4279834 VDIMVOJPAVSIKB-NRFANRHFSA-N 370.456 4.584 30 40 FJEB C=CCc1ccccc1OCCCn1c([C@@H](O)CC)nc2ccccc21 4386179 QABKVGSCWCBDKX-FQEVSTJZSA-N 350.462 4.677 30 40 FJEB C=CCc1ccccc1OCCCn1c([C@H](O)CC)nc2ccccc21 4386180 QABKVGSCWCBDKX-HXUWFJFHSA-N 350.462 4.677 30 40 FJEB N#Cc1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 8133652 NHSAEXYWZBSZAJ-UHFFFAOYSA-N 370.437 4.725 30 40 FJEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 8642635 BWTRUDNOQPDEIP-JMIUGGIZSA-N 363.800 4.930 30 40 FJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(C(F)(F)F)c1 12528369 UGBAMYJWYYSBPA-UHFFFAOYSA-N 366.342 4.753 30 40 FJEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C)cc1 14123460 GIEZTIFVDVKGDM-UHFFFAOYSA-N 365.502 4.952 30 40 FJEB COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 18197678 FSTOVNRFVLVECN-HXUWFJFHSA-N 369.848 4.922 30 40 FJEB N#Cc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1C(F)(F)F 78774516 RAZCPALCLOHPPB-INIZCTEOSA-N 360.335 4.647 30 40 FJEB Cc1ccc2[nH]c(C)c(/C=N\Nc3c(F)c(F)c(F)c(F)c3F)c2c1 106561508 PANZINKINWOQKT-OUBWWKSTSA-N 353.294 4.926 30 40 FJEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225827813 UJIWCVBITXNSEB-NRFANRHFSA-N 360.498 4.907 30 40 FJEB CCOc1ccc(C=Nn2c(-c3ccc(Cl)cc3)n[nH]c2=S)cc1 254555647 CJJXUEGDBWHUQU-UHFFFAOYSA-N 358.854 4.542 30 40 FJEB CC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 4742987 CFQDIMHLONWMKQ-WSDLNYQXSA-N 362.385 4.662 30 40 FJEB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1cccc(C#N)c1 12800211 RAPWUIWIQZNDSK-UHFFFAOYSA-N 367.470 4.623 30 40 FJEB C=C(C)COc1cccc(C(=O)NCCCc2ccccc2OCCC)c1 219791352 QWIXZCGXILRAOU-UHFFFAOYSA-N 367.489 4.793 30 40 FJEB Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1 408854716 AOGYSJHVPKNHSJ-NQRZERFFSA-N 362.429 4.697 30 40 FJEB CO/N=C\c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 5248322 JZPAHZQGIMLHKC-HOEBFWFUSA-N 353.731 4.678 30 40 FJEB COc1ccc2c(c1)-c1nc(/N=C/c3cccc([N+](=O)[O-])c3)sc1CC2 6182345 LGUAYJBPWFXRCF-RGVLZGJSSA-N 365.414 4.576 30 40 FJEB COc1cccc(COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c1 9419103 PPLFMJNRIOQFIC-NDENLUEZSA-N 364.422 4.952 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N(CC(=O)c1ccccc1)c1ccccc1N=C2 13637156 SUFDTDROLAGHFS-UHFFFAOYSA-N 358.441 4.735 30 40 FJEB C=CCOc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1 225447626 VREYILREOJUQBU-UHFFFAOYSA-N 356.491 4.525 30 40 FJEB C#CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1 408559089 UHRASJNSUVQHHJ-UHFFFAOYSA-N 350.643 4.727 30 40 FJEB C#CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C 408904831 PFEQYSJWHOGHIV-LTGZKZEYSA-N 366.420 4.658 30 40 FJEB C=CCN1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 4910306 TVTVGFYSGGFXPF-GOSISDBHSA-N 351.494 4.509 30 40 FJEB N#CCSc1ccccc1NC(=O)CSc1ccc(F)c(Cl)c1 7582919 WIZXJZAKTULGOM-UHFFFAOYSA-N 366.870 4.826 30 40 FJEB N#CCN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 7657008 KLGCZUYLULFJNC-UHFFFAOYSA-N 369.635 4.582 30 40 FJEB COC(=O)c1ccc(CSc2nc(-c3ccccc3)ccc2C#N)cc1 9970829 WXDGXQVUYMDLSB-UHFFFAOYSA-N 360.438 4.699 30 40 FJEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2s1 12856449 CQWFDWVISIJSKO-DXRVJIQQSA-N 359.454 4.545 30 40 FJEB CN(C)c1ccc(/C=N\N=C/c2ccc(N(C)C)cc2Cl)c(Cl)c1 19891396 DPNROQKODOXKPL-IINORCHSSA-N 363.292 4.578 30 40 FJEB C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc(F)cc2)o1 28236183 ROALCRWQAJSCPJ-UHFFFAOYSA-N 365.404 4.656 30 40 FJEB CC/C(=N\N=c1\sc2ccccc2n1C)c1ccc(OC(F)F)cc1 33598021 SOIMAOFFQDTMSE-SEUYJHDCSA-N 361.417 4.556 30 40 FJEB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCCCC#N)cc12 36759362 CJHJSTNCFFXSGP-UHFFFAOYSA-N 373.865 4.569 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1(F)F 100045542 NGEYGRCDNBGSKG-BTPGUECKSA-N 358.175 4.546 30 40 FJEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(O)c(C(=O)O)c3)c2C)cc1 408751966 FDUHCIDJAIJTIM-QRVIBDJDSA-N 362.429 4.811 30 40 FJEB CCCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)cc1 408986324 BUQSIAKWNMDXAH-UYRXBGFRSA-N 366.486 4.984 30 40 FJEB C#CCOC(=O)c1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1 2275696 VZKGVPXYZRBPJP-UHFFFAOYSA-N 367.489 4.584 30 40 FJEB O=C[C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)cc(Cl)cc1Cl 3851087 VGAPRWKMDOHGPH-LLVKDONJSA-N 357.620 4.610 30 40 FJEB biogenic CCCCCCCCCCCC(=O)NC1=NN(c2ccccc2)C(=O)C1 100998441 CAFLBWIBECLYCI-UHFFFAOYSA-N 357.498 4.774 30 40 FJEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccccc2C)cc1 102648932 VTXOKUJMMXPQBI-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB COC(=O)c1ccc(C)c(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c1 408911630 AFXBKWOBJGZDFP-SSDVNMTOSA-N 363.369 4.521 30 40 FJEB CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 865522 LJCAQPIUWDBXLQ-DQAKUKQTSA-N 372.446 4.708 30 40 FJEB Cc1cc(N2C[C@H]3CC[C@@](C)(C2)C3(C)C)n2c(nc3ccccc32)c1C#N 5277093 IFNHJHCUSWQNJC-MWTRTKDXSA-N 358.489 4.930 30 40 FJEB CC[C@H]1CS/C(=N\c2ccc(C(=O)/C=C/c3cccc(C)c3)cc2)N1 5692533 WNUXXMMRQDFAQW-NUCSPZLJSA-N 350.487 4.994 30 40 FJEB C=CCN(CC(=O)Nc1ccccc1SC(F)F)Cc1cccs1 14248840 LULPGJFSRUQYPD-UHFFFAOYSA-N 368.474 4.690 30 40 FJEB Cc1ccc(/C=N/N=C2\SCC(=O)N2Cc2cccc3ccccc23)cc1 33352221 JUNRIFHPDAKSLP-KRLZMICPSA-N 373.481 4.614 30 40 FJEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC(=O)O 35455587 WTDIRAZPDUAJEB-SJHNSPGYSA-N 350.499 4.829 30 40 FJEB biogenic,in-vitro O=C(/C=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 44842812 MIVMVNXMBNPGKX-AATRIKPKSA-N 369.726 4.896 30 40 FJEB C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1Cc1ccc(C#N)cc1 72305359 GNHVPYVCAJAEGS-MRXNPFEDSA-N 363.461 4.708 30 40 FJEB COc1cc(C)c(/C=N/n2c(S)nnc2-c2ccccc2)cc1C(C)C 409071889 QGQPKTNRBHUFNZ-CIAFOILYSA-N 366.490 4.556 30 40 FJEB C=CCn1c(C)cs/c1=N/N=C/c1ccc(OCc2ccccc2)cc1 950140 AOJWTJAQCVPZNJ-ROAQJCPQSA-N 363.486 4.558 30 40 FJEB Cc1cc(-c2cccs2)c(C#N)c(SCC(=O)c2ccccc2)n1 2230275 QBAQIHNZKOCJHU-UHFFFAOYSA-N 350.468 4.965 30 40 FJEB C=CCn1c(Cc2cccs2)nnc1SCc1c(F)cccc1F 2439471 KYTHHYZWJASWIF-UHFFFAOYSA-N 363.458 4.687 30 40 FJEB CCCN1C(=O)c2ccccc2[C@H]1NN=C(c1ccccc1)c1ccccc1 6274132 GGRGFYKABIJTSI-QHCPKHFHSA-N 369.468 4.593 30 40 FJEB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(O)cc2)o1 6579624 YEKCNCGQJROWCX-SRZZPIQSSA-N 355.777 4.843 30 40 FJEB C[C@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)c(C#N)c3nc4ccccc4n23)C1 13618732 BLKQSOGNHGNRQP-BETUJISGSA-N 372.394 4.860 30 40 FJEB Cc1[nH]c(SCc2cn3ccccc3c2C#N)nc1Cc1ccccc1 14044953 JMGSMBSPBUUMTG-UHFFFAOYSA-N 358.470 4.726 30 40 FJEB CC1=Nc2ccccc2N(C)/C1=C/C1=C(Cl)C(=O)c2ccccc2C1=O 31759894 CXXIYKBZSLAGHP-WOJGMQOQSA-N 362.816 4.685 30 40 FJEB C#CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 36646329 WNRDSZGUJVKHGG-HSZRJFAPSA-N 372.468 4.921 30 40 FJEB biogenic,in-vitro C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(F)cc1Br)C2 39881076 AZKXBBBYDKHVRT-GTNSWQLSSA-N 352.247 4.909 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2F)cc1 51318869 PHLFWFDXUZMAJA-MDZDMXLPSA-N 364.214 4.795 30 40 FJEB CCCCCn1c(SCc2cccc(C#N)c2)nc2ccsc2c1=O 67259664 JELHCOIROHSBKS-UHFFFAOYSA-N 369.515 4.812 30 40 FJEB C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc2ccccc2c1 225052027 XTGGDAOFFPLUJE-UHFFFAOYSA-N 351.471 4.838 30 40 FJEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC(=O)O 248202229 WTDIRAZPDUAJEB-NZHGRIAHSA-N 350.499 4.829 30 40 FJEB biogenic,in-vitro N#C[C@@]1(F)CCN(C(=O)Nc2ccc(CSc3ccc(F)cc3)cc2)C1 591350535 JWNQFBUCVBEURW-IBGZPJMESA-N 373.428 4.587 30 40 FJEB Cc1cccc(C(=O)Oc2ccc(/C=N/c3ccccc3)cc2[N+](=O)[O-])c1 1055512 YADXSVNIIXIGIP-HYARGMPZSA-N 360.369 4.873 30 40 FJEB N#CCCSc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 4176932 QVGPVCJNZJCBKV-UHFFFAOYSA-N 350.365 4.963 30 40 FJEB C[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc23)C1=O 4899288 BRKJPIMYVYTBLN-VJKAQKEDSA-N 373.481 4.694 30 40 FJEB Cc1cc(C)cc(-n2c(C)cc(C(=O)COc3ccc(C#N)cc3)c2C)c1 6038073 IXZNTZKIZSPBNS-UHFFFAOYSA-N 358.441 4.844 30 40 FJEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3cccc(F)c3)S2)cc1 6869800 CADXSNXUPLCUEM-AQTBWJFISA-N 369.465 4.564 30 40 FJEB C=CCN(C(=O)c1cn2c(C)cccc2n1)c1nc(-c2ccccc2)cs1 14723777 JIPHWHFGTYAFLR-UHFFFAOYSA-N 374.469 4.599 30 40 FJEB O=[N+]([O-])c1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461368 DEAVLNIPSOYFSN-XOKFLVCFSA-N 367.386 4.785 30 40 FJEB COc1ccc(OC)c(NC2=C(c3ccccc3)C(=O)c3ccccc32)c1 101093750 YFGFNNSOXQAHBU-UHFFFAOYSA-N 357.409 4.881 30 40 FJEB aggregator COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccccc1SC 409091428 UHFUJTDZYFDJAH-KGENOOAVSA-N 356.491 4.777 30 40 FJEB Cc1ccc(N2C(=O)/C(=C/c3ccc(C#N)cc3)SC2=S)c(C)c1 409338605 MVRPZGBXTZDOHT-YVLHZVERSA-N 350.468 4.581 30 40 FJEB O=C1C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)c2ccccc21 718516 UHUNRISVOWBOFC-UHFFFAOYSA-N 358.368 4.867 30 40 FJEB O=C(Nc1ccc(Cl)cc1)O/N=C/c1ccc(Br)cc1 829821 IOCAMIITEFOELM-RQZCQDPDSA-N 353.603 4.685 30 40 FJEB COc1cccc(C(=O)[C@H]2C(C#N)(C#N)C23CCC(C(C)(C)C)CC3)c1 2294902 XHXZXPVTACCHKQ-IPFXWSOASA-N 350.462 4.764 30 40 FJEB COc1cc(/C=N/Nc2cccc(Cl)n2)ccc1OCc1ccccc1 5661211 OGEXCBKZAAGZBO-LPYMAVHISA-N 367.836 4.769 30 40 FJEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c1 59387418 HQPAZDRSHYLCTN-QGMBQPNBSA-N 374.809 4.523 30 40 FJEB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc(C#N)cc2)S1 85412344 IOXSZRSKEQMBBK-GOSISDBHSA-N 366.490 4.829 30 40 FJEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2cc(Cl)ccc21 101101964 OOGTVIBWXZSPBA-QOCHGBHMSA-N 372.852 4.634 30 40 FJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 102864330 XCPALCJDRJRAJJ-MRJHHRETSA-N 369.420 4.621 30 40 FJEB COc1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1 409017278 YGIAMCRLPRDDSX-DEDYPNTBSA-N 355.235 4.999 30 40 FJEB Oc1cccc(NCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1 1083811787 OYGKRMCMYVKFHH-UHFFFAOYSA-N 355.200 4.868 30 40 FJEB COc1cc(/C(C)=N/Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 4921000 HICRIZJUZANWLV-KEBDBYFISA-N 369.248 4.855 30 40 FJEB Oc1c(Br)cc(/C=N/c2ccccc2)cc1Br 5600747 NVFJPUBLTPRTSL-LZYBPNLTSA-N 355.029 4.668 30 40 FJEB O=C1Nc2ccccc2/C1=N/Nc1cc(-c2ccccc2)c2ccccc2n1 17201436 CRBIESXKOGRVDR-UHFFFAOYSA-N 364.408 4.670 30 40 FJEB COc1cc2c(cc1OC)[C@H](c1ccc(C)c(C)c1)C1=C(CCCC1=O)N2 18197226 KSDWUJYUIYDNOD-QFIPXVFZSA-N 363.457 4.885 30 40 FJEB COc1ccc(Br)cc1/C=N/c1nc2c(s1)CCCC2 28462670 ZUONAMVIHZVMEQ-RQZCQDPDSA-N 351.269 4.544 30 40 FJEB CN(Cc1ccc(C#N)cc1)C(=O)Cc1coc2ccc3ccccc3c12 32614758 BESZMKOUGPJGHL-UHFFFAOYSA-N 354.409 4.659 30 40 FJEB C[C@@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@H](C)N1Cc1ccccc1 54201847 QAGILMRZNWONPW-QZTJIDSGSA-N 352.522 4.879 30 40 FJEB CC(C)(C)[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccccc3)c2C#N)C1 59413252 MXEKUBGRRDPKEO-CYBMUJFWSA-N 374.531 4.572 30 40 FJEB COc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1 59461350 PUYIVSBGDIAMIJ-XENGFHBVSA-N 352.415 4.886 30 40 FJEB CCN1c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C 208302239 LKUGWKISDBNVAE-CYGNYLSHSA-N 367.453 4.548 30 40 FJEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225054195 XRLQAFZNXRKZMP-UHFFFAOYSA-N 367.470 4.538 30 40 FJEB CCC(=O)O[C@H]1[C@@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4217668 AFBZBYQKIMBONK-RNXAVOFCSA-N 362.485 4.788 30 40 FJEB biogenic,in-vitro CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 9374866 BEWJDOVIDSNYNQ-GOSISDBHSA-N 369.848 4.718 30 40 FJEB N#Cc1c(COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cn2ccccc12 14858136 CZEAZXQBOBXMOG-BQYQJAHWSA-N 370.330 4.586 30 40 FJEB Cc1ccc(/N=C/C=C/c2ccc(Br)c([N+](=O)[O-])c2)c(O)c1 16291070 XBEGKMBQJCSNCI-QEGLIAJSSA-N 361.195 4.787 30 40 FJEB Cc1ccc(/C=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 17429144 ZWPLIIXBQOIWBT-PXLXIMEGSA-N 364.470 4.855 30 40 FJEB Cc1nc(-c2cccs2)c(CCC(=O)Nc2cccc(C#N)c2)s1 19819614 VYLVPFANFSESKL-UHFFFAOYSA-N 353.472 4.623 30 40 FJEB COc1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1 59249516 AHWLGBLLLSAZMN-DEDYPNTBSA-N 355.235 4.999 30 40 FJEB COc1cc(COc2ccc(/C=N\O)cc2)ccc1OCc1ccccc1 408540445 RXJRHKFPKFFNEJ-UCQKPKSFSA-N 363.413 4.661 30 40 FJEB C=CCOc1ccccc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 615816666 HQNGHQWMHRAXBV-UHFFFAOYSA-N 366.848 4.585 30 40 FJEB Cc1ccc(C)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 2740230 VCZCIUKWBDSQCR-UHFFFAOYSA-N 367.211 4.710 30 40 FJEB CC/N=C1\S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1CC 4691458 QDQHNSULXYSOBW-MOQVJWAZSA-N 358.488 4.743 30 40 FJEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN[C@@H](C)CCc4ccco4)[C@@H]3C[C@H]12 6763376 YKAOGMQSLHIEKX-QJXBRNSWSA-N 371.521 4.505 30 40 FJEB COc1cccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)c1OC 7719314 HGXBMDNZQUIJOE-UDWIEESQSA-N 353.447 4.582 30 40 FJEB COc1cc(/C=N\Nc2nccs2)ccc1OCc1ccccc1Cl 31854316 AUGJZYMSSXGNJA-NHDPSOOVSA-N 373.865 4.830 30 40 FJEB Cc1nc(-c2ccc(CCNc3snc(Cl)c3C#N)cc2)cs1 84275003 ZCMHQCYAFRCTLF-UHFFFAOYSA-N 360.895 4.755 30 40 FJEB CC1(C)CC(=O)C(=CN[C@H](c2ccccc2)c2ccc(Cl)cc2)C(=O)C1 102223823 WRIWBNNBIXRBON-OAQYLSRUSA-N 367.876 4.861 30 40 FJEB O=C(/C=C/c1ccccc1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21 102947569 QTWWLSJVKGBMRC-OPAYKXJHSA-N 373.843 4.537 30 40 FJEB O=C1C2=C(N=C3CCCC(O)=C3[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 104163280 FSHWZMDWMDWSIS-IBGZPJMESA-N 371.392 4.557 30 40 FJEB C=CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 216781358 MNEYXUKCVSGWJP-UHFFFAOYSA-N 351.185 4.555 30 40 FJEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc(Cl)c2Cl)n1 888414 UOJVCZKTGXSIJU-UHFFFAOYSA-N 366.273 4.608 30 40 FJEB CCOc1ccc(Nc2oc(COc3cccc(Cl)c3)nc2C#N)cc1 934578 DUQBGIMMKLZTSX-UHFFFAOYSA-N 369.808 4.921 30 40 FJEB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c1 4125284 JRRJWCMAPMMAIJ-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CCOC(=O)c1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1 6340265 KJNYOSAILQJNQW-NBVRZTHBSA-N 358.393 4.946 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1OCC 6959230 LNKXRLKFZCWPID-FYJGNVAPSA-N 372.262 4.919 30 40 FJEB CC(=O)/C(=C\n1c(=S)sc2ccccc21)C(=O)Nc1ccccc1 8651973 QJJQHGPBHSLVTP-SDNWHVSQSA-N 354.456 4.501 30 40 FJEB C=CCn1cnnc1SCc1cc2ccc(SC)cc2nc1Cl 14255498 CKEXWNHZGYDIBX-UHFFFAOYSA-N 362.911 4.680 30 40 FJEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(Cl)c([N+](=O)[O-])c1 40139524 ZKWVBJGWMJDKMU-FNORWQNLSA-N 371.805 4.663 30 40 FJEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](CO)NC(=O)CCC 97974172 UCBLGIBMIAFISC-FARCHPKVSA-N 369.590 4.882 30 40 FJEB C=CCNC(=O)c1ccc(OCC)c(COc2ccc(C(C)(C)C)cc2)c1 224518172 ISYHVCYUOMTFTR-UHFFFAOYSA-N 367.489 4.878 30 40 FJEB C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 1536540765 AMEAIFVDKYWZTK-VFNWGFHPSA-N 371.402 4.887 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 6220825 ZFAPKNHUZVVEFO-LPYMAVHISA-N 365.364 4.759 30 40 FJEB O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccco1 12861878 HHNKUYDVBHMQQY-PZLZUMHWSA-N 358.349 4.671 30 40 FJEB biogenic N#Cc1c(CSc2nnc(-c3c[nH]c4ccccc34)o2)cn2ccccc12 14185705 MTLQMEXELSOVBV-UHFFFAOYSA-N 371.425 4.635 30 40 FJEB CCCNc1c(/N=C(\O)Nc2ccc(CC)cc2)c(=O)oc2ccccc12 28048678 BALMNRXWJTVLAS-UHFFFAOYSA-N 365.433 4.835 30 40 FJEB CC[C@@H](C)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC 32111809 KVZPEQUQDMILKM-CQSZACIVSA-N 350.414 4.583 30 40 FJEB CCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1OC 34954269 AEBSMQOSDLBZDQ-UHFFFAOYSA-N 359.429 4.585 30 40 FJEB C#CCOc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 41635779 DEFHZCNORZTLJV-UHFFFAOYSA-N 368.633 4.866 30 40 FJEB Cc1cc(C)c(C#N)c(SCc2nc3cc(Br)ccc3[nH]2)n1 95939271 HZDDEYKKAHPWFO-UHFFFAOYSA-N 373.279 4.501 30 40 FJEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 100138548 CWXXLBPUHCHPAV-OYKKKHCWSA-N 362.404 4.902 30 40 FJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3O)c2C)cc1 100212028 PCUYFBZVZQNDRP-OEAKJJBVSA-N 362.429 4.727 30 40 FJEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(O)cc1 408749990 VWCPOSAHRJVDLD-VGOFMYFVSA-N 365.241 4.591 30 40 FJEB COc1ccc(C(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1 1354485 NJASXGUPXZRIEV-UHFFFAOYSA-N 362.454 4.707 30 40 FJEB COC(=O)c1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 4921749 NMOBCZBMCUHSKN-ZVBGSRNCSA-N 356.731 4.591 30 40 FJEB CCCOc1ccccc1/C=N/n1c(-c2ccc(C)cc2)n[nH]c1=S 5899696 BUFKGQJANHAVRM-DEDYPNTBSA-N 352.463 4.587 30 40 FJEB O=C(/C=C/c1ccccc1Cl)c1ccc(I)cc1 6322780 URTKJNJWYZAOLH-JXMROGBWSA-N 368.601 4.841 30 40 FJEB COc1cccc(/C=C2\S/C(=N/c3ccc(F)cc3)N=C2O)c1OC 6848469 RJMRVGOTKSIIMO-GDNBJRDFSA-N 358.394 4.575 30 40 FJEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 18009602 BIZPYDZJGRXSQV-GHVJWSGMSA-N 362.393 4.952 30 40 FJEB CCCCCCCCCCCCCC[N+](C)(C)CCOCCOCCO 100925690 SZRCMHIPTYOFDG-UHFFFAOYSA-N 374.630 4.789 30 40 FJEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c1 408910601 XHQOHLCUTFTNGI-BIXZQSIESA-N 352.459 4.628 30 40 FJEB CC(C)(CO)/N=C1\C=CC2=N[C@]34CCCC[C@@H]3CC3=C(CCCC3)N4C2=C1 2289371 PMYKIAMZZBNQCU-NFLZEUMGSA-N 365.521 4.527 30 40 FJEB CC(Nc1ccc(Sc2ccccn2)cc1)=C1C(=O)c2ccccc2C1=O 2549980 GVSYQGRAYZPVNE-UHFFFAOYSA-N 372.449 4.998 30 40 FJEB CCSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)c1C#N 6870691 CXTWDBUIABSKTO-UHFFFAOYSA-N 368.380 4.768 30 40 FJEB COc1cc(C(=O)/C=C/c2c(-c3ccccc3)nc3ccccn23)ccc1O 12627422 WWBABILTASZOJH-ACCUITESSA-N 370.408 4.612 30 40 FJEB O=C1/C(=N/c2cc(Cl)cc(Cl)c2)c2ccccc2N1CN1CCCC1 16524184 MRHSCHNYYVXGSC-RELWKKBWSA-N 374.271 4.514 30 40 FJEB O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1ccc(C(F)(F)F)cc1 59270298 GTHSBISBRLEOMT-IZZDOVSWSA-N 356.347 4.846 30 40 FJEB C=CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 59417536 QMVUIWXGLNRXRY-UHFFFAOYSA-N 370.455 4.525 30 40 FJEB CC(C)OC(=O)OCSc1ccccc1/N=C\c1cccc([N+](=O)[O-])c1 104306625 DDFTYKYCPZDQDP-ODLFYWEKSA-N 374.418 4.957 30 40 FJEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1CC 408559694 BGFOEFAUSCRLIC-UHFFFAOYSA-N 374.554 4.850 30 40 FJEB C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2483707 YHYAXRNXFRHFSE-UHFFFAOYSA-N 358.441 4.725 30 40 FJEB C=CCSc1nnc(NC(=O)c2oc3c(C)c(C)ccc3c2C)s1 4671413 CRIUXMLADYCCDJ-UHFFFAOYSA-N 359.476 4.740 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2c1 4849166 WOAYCFRQXAWHME-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB CC(C)c1nc(OCc2ccc(F)cc2)c(C#N)c2c1COC(C)(C)C2 12324205 CGPRVRWGQOQQIX-UHFFFAOYSA-N 354.425 4.646 30 40 FJEB Cc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 12556263 YBSDUCXQFKNWLA-OAHLLOKOSA-N 367.518 4.945 30 40 FJEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 18244448 WCVBAGINZOIWFK-NRFANRHFSA-N 364.445 4.833 30 40 FJEB O=C1/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)Sc2ccccc21 822093 VMJAGSQZFJFFHZ-ZSOIEALJSA-N 362.204 4.687 30 40 FJEB N#Cc1c(-c2ccc(Cl)cc2)ccn2nc(C(Cl)(Cl)Cl)nc12 1395021 REQDBBPDQBMJCM-UHFFFAOYSA-N 372.042 4.748 30 40 FJEB Cc1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 4991263 LTRMZJHAQRPXOP-REZTVBANSA-N 369.602 4.775 30 40 FJEB COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC 5128018 NASOOBUWUSOBBG-CMDGGOBGSA-N 361.235 4.671 30 40 FJEB C=C(C)CNC(=S)Nc1scc(-c2cccs2)c1C(=O)OCC 5473883 HJGHHGDNPWBJPV-UHFFFAOYSA-N 366.533 4.516 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C\c2cccc3c(Br)cccc23)cc1 33368210 SBVYANKWDMUVGY-ODLFYWEKSA-N 370.206 4.957 30 40 FJEB O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)Sc2ccccc21 34914398 YDCJHWUDQRLWSH-ZDLGFXPLSA-N 365.366 4.890 30 40 FJEB CCCCCCCC(=O)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 59211779 NLORBDHLZOFWKF-QGZVFWFLSA-N 362.436 4.766 30 40 FJEB O=C(Nc1ccccc1Cl)O/N=C(/c1ccccc1)c1ccccn1 829815 QTUFOQYKTMEPDW-NKFKGCMQSA-N 351.793 4.736 30 40 FJEB O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@H]1n1nnc2ccccc21 1055399 XZJFJKRMOLBXKH-VGOFRKELSA-N 371.465 4.874 30 40 FJEB CN(C)CC#CC[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 2268656 FIBBJDWMSJXEDN-VWLOTQADSA-N 355.481 4.545 30 40 FJEB CC(C)(C)c1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(C(C)(C)C)c1O 4739128 RBHDOHOHQFDYCT-SSDVNMTOSA-N 370.453 4.736 30 40 FJEB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C\c1cccs1 5254258 SDBDUHXFEGNKIY-GHXNOFRVSA-N 355.271 4.947 30 40 FJEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)N=C2O)cc1OC 6554493 GJHLJYUREPOISE-BOPFTXTBSA-N 372.421 4.965 30 40 FJEB Oc1ccc(Br)cc1/C=N/c1ccccc1N1CCCCC1 6615559 ZTFVRKKPPBJVJO-DEDYPNTBSA-N 359.267 4.896 30 40 FJEB O=C1CCCC2=C1C(c1c(Cl)cccc1Cl)C1=C(CCCC1=O)N2 20026288 IZIIKVWJLVKTJP-UHFFFAOYSA-N 362.256 4.694 30 40 FJEB N#C[C@H]1[C@H](c2ccccc2OCc2ccccc2)CC(=O)N1c1ccccc1 26896021 WHACCFHOBSITJA-VXKWHMMOSA-N 368.436 4.678 30 40 FJEB COc1ccc(C2=C(Nc3cccc(OC)c3)c3ccccc3C2=O)cc1 101093441 DCAPLMZVSKUYSC-UHFFFAOYSA-N 357.409 4.881 30 40 FJEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224664111 APAVVJVTOZSFDD-UHFFFAOYSA-N 365.454 4.860 30 40 FJEB COc1ccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)cc1 408723633 YNEWTQSZTULGSZ-CIAFOILYSA-N 350.443 4.677 30 40 FJEB O=[P@@](C#Cc1ccccc1)(c1ccccc1)[C@H](O)c1ccc(F)cc1 1305778 PHBIAKQEYPXNIN-OFVILXPXSA-N 350.329 4.514 30 40 FJEB Cc1c(C(=O)Nc2cccc(C#N)c2)oc2ccc(Br)cc12 3283806 QXGHTYFAVCZSAZ-UHFFFAOYSA-N 355.191 4.628 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1cccnc1 4459182 RQQFZQGTRXLHHI-HXUWFJFHSA-N 355.441 4.830 30 40 FJEB O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC[C@H](C(F)(F)F)C1 10224796 OCNKRDJFLFQJNE-IBGZPJMESA-N 357.375 4.501 30 40 FJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 12568325 ZGIZJVGAAUXZPS-TZIWHRDSSA-N 368.860 4.968 30 40 FJEB C=CCc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)cc(OCC)c1O 408811167 KMYRAIVIUUUSKO-MTJSOVHGSA-N 354.406 4.795 30 40 FJEB Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408945956 OISHFRJQGZTFOA-JJFYIABZSA-N 368.820 4.902 30 40 FJEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc4c(c3)OCO4)c2C)cc1 409188436 ZEBLDTRTXWVGFB-QRVIBDJDSA-N 362.429 4.972 30 40 FJEB Cc1cc(C)c(NC(=O)C[n+]2ccc(/C=C/c3ccccc3)cc2)c(C)c1 2684618 IJSWWAVGRBAFPF-MDZDMXLPSA-O 357.477 4.708 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)CCc4ccco4)[C@H]3C[C@@H]12 4073361 YKAOGMQSLHIEKX-OEVWDPAPSA-N 371.521 4.505 30 40 FJEB biogenic N#CCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 5870406 RBNQGEOMTUCICR-UHFFFAOYSA-N 367.257 4.627 30 40 FJEB Cc1ccc(-c2nnc(SCc3cn4ccccc4c3C#N)o2)cc1C 14045056 CPTZAFNKGKUTNN-UHFFFAOYSA-N 360.442 4.770 30 40 FJEB C=C1[C@H](OC(C)=O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 31157687 AQBQBBLJTDSVLC-AUSPTJPFSA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro O=C(O)c1ccc(/N=C/c2cccc(/C=N/c3ccc(C(=O)O)cc3)c2)cc1 35585906 RFRGCUSCKNNNMF-RNIAWFEPSA-N 372.380 4.584 30 40 FJEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1Cc1ccccc1 408593054 OOHXSCJRANADND-LPYMAVHISA-N 363.417 4.612 30 40 FJEB COc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1 408739549 XPDNTYVHPOCFGF-SXGWCWSVSA-N 358.850 4.549 30 40 FJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C#N)cc3)c2C)c1 408966853 NVEMCIKTRALOIR-MFKUBSTISA-N 371.440 4.893 30 40 FJEB N#Cc1cc(F)cc(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)CC2)c1 552598830 MWVVTMOOQZVRCH-FJPGZJACSA-N 374.459 4.666 30 40 FJEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 984863 MJQZPGIXMSHPHF-UHFFFAOYSA-N 354.500 4.604 30 40 FJEB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)c(C#N)c2c1CCCC2 1476118 HLOWGDKSXHHNCT-UHFFFAOYSA-N 371.893 4.525 30 40 FJEB CCOC(=O)c1cc(C#N)c(SCc2cccc3ccccc23)nc1C 3440253 YVYJLFALWOGUQZ-UHFFFAOYSA-N 362.454 4.884 30 40 FJEB aggregator C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CO 4043352 USJUZEYYTPWSSZ-GWWHBBDRSA-N 360.494 4.656 30 40 FJEB biogenic CCN(CC)c1ccc(/C=N/Nc2ncnc3sc(C)c(C)c23)cc1 4674857 KMMVOGNPZRMTBE-SSDVNMTOSA-N 353.495 4.600 30 40 FJEB CN(C)/C=N/c1c(/N=N/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1C 4732975 GMAMUUIIJNFQFG-XXKASZFSSA-N 350.382 4.723 30 40 FJEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCCC4)o3)o2)c1 33027097 QRWGFRKQKKKTEM-UHFFFAOYSA-N 363.417 4.602 30 40 FJEB CCCC/N=C1\S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1CCCC 35042048 YGYRKLVCVBTIEC-MOOSWKITSA-N 359.539 4.625 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2cc1C 35289278 FSIZCHWGUVFCMD-UHFFFAOYSA-N 350.418 4.837 30 40 FJEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 100288960 UFIOWZBOCPFQCI-HXUWFJFHSA-N 369.464 4.933 30 40 FJEB N#CCc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 14527570 RDUIGFVVZUDOJK-UHFFFAOYSA-N 364.408 4.615 30 40 FJEB C[C@H](C[C@@H](C#N)NCCN[C@@H](C#N)C[C@H](C)CC(C)(C)C)CC(C)(C)C 19368162 FHEQJCCBJZWVQZ-JVSBHGNQSA-N 362.606 4.875 30 40 FJEB O=C1NC(=Nc2ccccc2)S/C1=C\c1cc(Cl)c(O)c(Cl)c1 408528703 FBJMKJKJHMIGPN-JYRVWZFOSA-N 365.241 4.591 30 40 FJEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1772492286 QLMXZKMIBONXSF-UDMCKFQASA-N 354.490 4.926 30 40 FJEB O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1c(Cl)cccc1Cl 712826 CPWWIXHCRNKDBZ-LSHDLFTRSA-N 369.207 4.777 30 40 FJEB CN(C)c1nc(/C=C/C(=O)c2ccccc2)c(Cl)n1-c1ccc(F)cc1 5836599 CRIFSDNXKBQUEO-OUKQBFOZSA-N 369.827 4.627 30 40 FJEB N#Cc1ccc(F)c(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c1 84609854 NHTADHLLIQHETB-FQEVSTJZSA-N 351.812 4.625 30 40 FJEB COc1cc(/C=C\C(=O)c2oc3ccc(F)cc3c2C)cc(OC)c1OC 94992863 DPUDXXPQZZGQAQ-ALCCZGGFSA-N 370.376 4.802 30 40 FJEB CCCOc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408530199 JAJUBNLWNJDEKN-AQTBWJFISA-N 352.459 4.675 30 40 FJEB C=CCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 1777079 CNSQURWKDWVEHQ-UHFFFAOYSA-N 366.369 4.849 30 40 FJEB O=C[C@H](Cc1ccccc1)C(=O)Oc1c(Cl)cc(Cl)cc1Cl 3851086 VGAPRWKMDOHGPH-NSHDSACASA-N 357.620 4.610 30 40 FJEB biogenic C/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1C 4696385 MYIUZWKRLJAZPW-SIJMIEFHSA-N 364.879 4.616 30 40 FJEB C[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc23)C1=O 4899287 BRKJPIMYVYTBLN-FOLOGHDTSA-N 373.481 4.694 30 40 FJEB CN(C)[C@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)c1ccco1 27562237 OOCHZTUCMKWGRO-LJQANCHMSA-N 372.428 4.674 30 40 FJEB COc1cccc(C(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1 35289031 QWZCXLDKNXHQJA-UHFFFAOYSA-N 362.454 4.707 30 40 FJEB COc1cc(OC)c(C(=O)/C=C/C2=Cc3ccccc3OC2)cc1Cl 58439511 VHFLAAASPBCWHO-BQYQJAHWSA-N 356.805 4.572 30 40 FJEB CCCCCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1C 408561066 XQLJXMXRHZZGJC-UHFFFAOYSA-N 374.554 4.676 30 40 FJEB N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)Nc2ccccc21 409114754 QBDNVAZVXNXTLI-MOSHPQCFSA-N 352.393 4.630 30 40 FJEB Oc1ccc(NCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 1083811764 NEAIIFVBIHVOAF-UHFFFAOYSA-N 355.200 4.868 30 40 FJEB COc1cc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1C 5966012 BKVVCODLSKIWLM-UHFFFAOYSA-N 373.408 4.770 30 40 FJEB CCOc1nc2sc3c(Cl)ncnc3c2c(-c2ccccc2)c1C#N 8715021 LSDZXEJZIYIEDZ-UHFFFAOYSA-N 366.833 4.830 30 40 FJEB CO/N=C/c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12 12950141 FZYNNQVJNYBWIK-QGMBQPNBSA-N 357.382 4.546 30 40 FJEB CCCCCSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 19852794 AVKWFSZSFQDFAA-UHFFFAOYSA-N 357.548 4.952 30 40 FJEB COc1cccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1 408810580 JEPOKJPQJGDUCH-IWIPYMOSSA-N 374.440 4.772 30 40 FJEB Cc1cccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 1773792 HPTFXVXPZDRKKA-HNNXBMFYSA-N 368.502 4.851 30 40 FJEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccco2)C2=C1CC(C)(C)CC2=O 5727702 MHZRODBULKJPIM-UHFFFAOYSA-N 353.462 4.595 30 40 FJEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1C)C2=O 20649872 FUKITAMHFDKVBP-STZFKDTASA-N 365.473 4.939 30 40 FJEB COc1ccnc(N/N=C(\C)c2ccc3c(c2)Nc2ccccc2S3)n1 96291428 RRIWKLKINQABCD-FSJBWODESA-N 363.446 4.530 30 40 FJEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/Nc1nc(-c3ccc(O)c(O)c3)cs1)C2 101579415 KCSUPFVUZDVRDD-PXVMRGOMSA-N 357.479 4.835 30 40 FJEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224899935 DVCHIHQDGSDPGS-MRXNPFEDSA-N 351.446 4.536 30 40 FJEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1cc(Cl)ccc1Cl 408581966 KEXVXBAKLRKDTQ-UHFFFAOYSA-N 365.216 4.525 30 40 FJEB COc1ccc2ccccc2c1/C=N\n1c(-c2ccccc2)n[nH]c1=S 1300780 WHIHWVAKTRTELU-BKUYFWCQSA-N 360.442 4.652 30 40 FJEB CCCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 4194654 NFAFEFIECRZNEF-UHFFFAOYSA-N 354.475 4.930 30 40 FJEB COc1ccccc1/N=C1/NC(=O)/C(=C\c2cccc3ccccc23)S1 5551500 GJXRJQLTXXFVEJ-CPNJWEJPSA-N 360.438 4.740 30 40 FJEB CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1 5950721 GMXCPSZZPUMTHX-VXLYETTFSA-N 361.239 4.562 30 40 FJEB CCCN1C(=O)c2ccccc2[C@@H]1NN=C(c1ccccc1)c1ccccc1 6274135 GGRGFYKABIJTSI-HSZRJFAPSA-N 369.468 4.593 30 40 FJEB COc1ccc2c(c1)CC/C2=N\OC(=O)c1cc(Cl)ccc1SC 18068436 NGWVRRROZGJEOK-CAPFRKAQSA-N 361.850 4.578 30 40 FJEB N#Cc1ccccc1-c1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 25949781 JIQXHTCQUOFPGP-XMMPIXPASA-N 372.443 4.938 30 40 FJEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(OC)cc(OC)c2)cc1 51318530 RGHIPXKZPNIAGI-ZHACJKMWSA-N 355.434 4.691 30 40 FJEB Cc1noc2c1[C@@H](c1cc(Cl)ccc1O)C1=C(CC(C)(C)CC1=O)N2 72332309 BFHLHJMMMJHWEJ-MRXNPFEDSA-N 358.825 4.543 30 40 FJEB CO/N=C/C(=C\Nc1ccc(F)cc1)c1ncc(C(F)(F)F)cc1Cl 100818844 DWUPOIBUTNBANW-HVZUOJBUSA-N 373.737 4.978 30 40 FJEB C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C[C@H]3OC(C)=O 1077996742 OTGKWSJHAGHYIW-WBBFGWGNSA-N 360.494 4.582 30 40 FJEB biogenic N#Cc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 3671108 MODXJECEGFXDDD-UHFFFAOYSA-N 358.426 4.691 30 40 FJEB COc1ccc(/C=N/Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 5024918 RRFPSQXKCADYOV-ZVHZXABRSA-N 372.403 4.891 30 40 FJEB O[C@@](C#CCN1CC[C@@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 13427205 ZKEKBMWWMAZJKJ-BVAGGSTKSA-N 373.540 4.947 30 40 FJEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 13653681 BWNONJJANWIWRA-WQRHYEAKSA-N 371.820 4.797 30 40 FJEB Cc1ccc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)o1 13897559 SPKLYTKADSWROG-IUXPMGMMSA-N 362.252 4.920 30 40 FJEB N#Cc1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 15320174 CZYVHFWDXCDXHJ-UHFFFAOYSA-N 359.225 4.815 30 40 FJEB COc1ccc2ccccc2c1/C=C1\SC(=N)[C@@H](c2nccs2)C1=O 33614617 UYFILIWUTCYOOJ-ITJPOMAQSA-N 366.467 4.723 30 40 FJEB Cc1ccccc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccccc2)S1 59678797 UPSVGVKOJFLFGK-RGEXLXHISA-N 359.454 4.677 30 40 FJEB C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928630 XIISKOBDMPFZPL-LLQANNADSA-N 360.538 4.878 30 40 FJEB C=CCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC 408556089 HNVYIHIVRUQLBP-UHFFFAOYSA-N 362.813 4.824 30 40 FJEB Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1C(C)C 408966600 PLJCYGZUIHLGSG-LICLKQGHSA-N 357.454 4.717 30 40 FJEB Cc1cc(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)ncc1C#N 1186213179 TYMWRQMRQDXZSH-QGZVFWFLSA-N 360.230 4.727 30 40 FJEB N#Cc1c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)sc2c1CCCC2 1501678 ZDXRGMNPYDBGBP-UFWORHAWSA-N 361.810 4.516 30 40 FJEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc1C 4660114 FIBGSHJZGKHLJB-BBNBJWFKSA-N 372.877 4.891 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2ccc(C)cc2)c2ccccn2)cc1 11915803 OOTYEODWHJUNBT-UHFFFAOYSA-N 358.441 4.802 30 40 FJEB C=CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(O)CCCC1=N2 101324156 OTBFDUIBGYIHQF-KRWDZBQOSA-N 352.463 4.536 30 40 FJEB O=C(c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101471969 JTVTUSOCZIWKCL-UHFFFAOYSA-N 358.587 4.991 30 40 FJEB C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219818563 MUXSALWEMNZMLO-KRWDZBQOSA-N 371.502 4.863 30 40 FJEB C=CCOc1ccc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)cc1OC 408982772 ZAQJBFPVIWXLKV-UHFFFAOYSA-N 371.440 4.582 30 40 FJEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)ccc1O 1441352 SYECSNXUWPMESD-NRFANRHFSA-N 372.424 4.514 30 40 FJEB CCn1c2ccccc2c2cc(NN=C3C(=O)CC(C)(C)CC3=O)ccc21 2748622 AXUDTXIZHASIAI-UHFFFAOYSA-N 361.445 4.541 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3ccccc3C)=NC2=O)cc1 5854818 QRNMZHLNINBYNG-QGOAFFKASA-N 350.443 4.642 30 40 FJEB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC#N)cc1)N2 36082238 XTWTXUDSMHWXGB-DXIQSLLYSA-N 374.440 4.592 30 40 FJEB Fc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c(F)c1 408849818 ZMUCAWFSVBMLFY-DJKKODMXSA-N 355.182 4.671 30 40 FJEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(-c2ccccc2)cc1 409251753 VZGRJEGEJIWZNK-XIEYBQDHSA-N 372.468 4.949 30 40 FJEB CCCCC[C@@H](CN(C)C)C(=O)/C=C/c1ccc(Br)cc1 1574750 RIWMHWKZNAZBPC-ISBHARSQSA-N 352.316 4.790 30 40 FJEB CCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 2190428 PSWCPKSRIOPIFK-UHFFFAOYSA-N 352.430 4.603 30 40 FJEB N#Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 3354027 UNZKGOZCOPNSJJ-UHFFFAOYSA-N 350.201 4.630 30 40 FJEB CO/N=C/c1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1 4013265 CEOJLKJQLQKIPX-UDWIEESQSA-N 357.866 4.872 30 40 FJEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccc(Cl)c(Cl)c2)cc1 4754846 LDEAZHDBJTVEIA-OCKHKDLRSA-N 363.273 4.731 30 40 FJEB Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2n1CCC#N 12635162 FSTWSRFHRHCTDN-UHFFFAOYSA-N 374.469 4.715 30 40 FJEB CCCCCCC[C@]1(C)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 102792072 ROZMWHGTJXBTOR-NRFANRHFSA-N 369.465 4.513 30 40 FJEB C=CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O 208511760 ZAWDEWSCXZIPAK-PDGQHHTCSA-N 368.502 4.931 30 40 FJEB C=CCO/N=C(\CCC)[C@@H]1/C(=N\OCC)CC(C)(C)C/C1=N\OCC 257345418 VVKYCMXPCMOVKQ-KGMBEUJESA-N 351.491 4.566 30 40 FJEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c(C)c1 408864864 AQSIRHDKQZUONS-YVLHZVERSA-N 372.877 4.857 30 40 FJEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)C(c1ccccc1)c1ccccc1 5556251 NTSOIOUFVOLAGK-DAFNUICNSA-N 373.452 4.829 30 40 FJEB Cc1ccc(-c2ccc(/C=N/c3ccc(C)c([N+](=O)[O-])c3)o2)cc1C(=O)O 6033107 OMVFMTQUVHNISA-SRZZPIQSSA-N 364.357 4.920 30 40 FJEB N#Cc1cccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1 8132135 KSBRIQAKRXLXKL-UHFFFAOYSA-N 370.437 4.725 30 40 FJEB COc1ccc(-c2nc(CO/N=C/c3ccc(OC(F)F)cc3)co2)cc1 22841854 CICJBTOTAVKBIL-LSHDLFTRSA-N 374.343 4.502 30 40 FJEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2 69844849 NPTQLIGBJBJNCY-ICFOKQHNSA-N 354.409 4.792 30 40 FJEB C[C@@H]1C[C@@H](C)CN(c2c(N)cc(C#N)n2Cc2cccc3ccccc23)C1 225868190 LWQVCJGDANXCEY-IAGOWNOFSA-N 358.489 4.626 30 40 FJEB C=CC[N+]1(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CCCC1 226069013 BRGLUDHOCGVCRB-OAQYLSRUSA-N 374.589 4.937 30 40 FJEB CCOc1cc2c(cc1/C=N/c1ccc(Br)cc1C)OCO2 409105863 JJAWWGQVJYSGPN-DJKKODMXSA-N 362.223 4.636 30 40 FJEB N#Cc1ccccc1COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1 409370468 RKDVRQDVZBOAHL-FYJGNVAPSA-N 351.405 4.960 30 40 FJEB Cc1ccc(/C=N/N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 2216137 VFYVXUGWRNWRCS-VCOZGABYSA-N 355.441 4.904 30 40 FJEB CCOC(=O)c1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1 2282120 JVRZHGUYZDWOGC-YDZHTSKRSA-N 363.413 4.945 30 40 FJEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)OCO2 4921738 FLYHOBRXJTWIEF-ZVBGSRNCSA-N 356.731 4.924 30 40 FJEB Fc1cccc(Cl)c1/C=N/Nc1nc2ccccc2nc1C(F)(F)F 5519421 VCRAIMKUKFCKHB-GZIVZEMBSA-N 368.721 4.887 30 40 FJEB O=[N+]([O-])c1ccc(SC#CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 11114579 SWWSEEHODOSESG-UHFFFAOYSA-N 358.419 4.772 30 40 FJEB C(=N/c1nc2ccccc2n1Cc1ccccc1)\c1ccc2c(c1)OCO2 13590327 AUARNSFIWWURCB-YDZHTSKRSA-N 355.397 4.564 30 40 FJEB CCOc1ccc(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1 89991112 KGOTVYMEDHFWHO-UHFFFAOYSA-N 355.437 4.666 30 40 FJEB COc1c(Br)cc(/C=N/c2ccccc2)cc1Br 100286250 CXBGPVGMKIGHCU-RQZCQDPDSA-N 369.056 4.971 30 40 FJEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 225932585 NKNOSOLJITYEBZ-UHFFFAOYSA-N 371.864 4.592 30 40 FJEB C#CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 226337690 KWROTROWBWKKRY-WYMLVPIESA-N 372.420 4.617 30 40 FJEB COc1ccc([C@@H](C#N)C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 584905868 QWRPCHCLCDXKRN-OAQYLSRUSA-N 369.420 4.684 30 40 FJEB COc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1 5551502 PRJQLKORJHGGCI-CPNJWEJPSA-N 360.438 4.740 30 40 FJEB N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1cccs1)N1CCCC1 27992793 URGSTCVPPJDVNQ-KRWDZBQOSA-N 364.474 4.524 30 40 FJEB CCN1c2ccc(/C=N\Nc3ccc(C(=O)O)cc3)cc2[C@@H](C)CC1(C)C 223530864 JHIXIDYKHIDRMT-DZIKBWIISA-N 365.477 4.943 30 40 FJEB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)c(C#N)c1 225855140 BARMDHKYTCGVNF-KKSFZXQISA-N 358.482 4.661 30 40 FJEB CCOc1ccc2cc(C3=C/C(=N/Nc4cccc(C)c4)C(=O)O3)ccc2c1 408724545 BHSZGXJWKAPXLB-DAFNUICNSA-N 372.424 4.913 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N/c1ccc(F)cc1 409231757 KJRHBVNORKMLHV-LMDBJESCSA-N 370.449 4.767 30 40 FJEB S=c1n(/N=C/c2ccccc2Cl)cnn1Cc1ccccc1Cl 3197395 FIGJKRXJOKXZDQ-DJKKODMXSA-N 363.273 4.651 30 40 FJEB CN(c1ccccc1)c1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 4688126 URDSKNWMHGYNCP-CJLVFECKSA-N 360.486 4.775 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2ccc(Cl)cc2)nc1 17302461 WLSJBRREDWTPSV-RELWKKBWSA-N 352.781 4.508 30 40 FJEB O=[N+]([O-])c1cc(/C=N\Nc2nc3ccccc3s2)c(Cl)cc1Cl 409217136 SGJJFFXSVACDKX-IDUWFGFVSA-N 367.217 4.957 30 40 FJEB OCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 642882516 GLMXHHOMPUDZTB-UHFFFAOYSA-N 356.175 4.643 30 40 FJEB O=C1CCCC2=C1c1ccc3ccccc3c1N[C@H]2c1ccc(O)c(O)c1 689173 VJKCMOAIJJGTOD-QFIPXVFZSA-N 357.409 4.924 30 40 FJEB Cc1ccc(C)c2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc12 1354273 DBHIHVMFZHDTKO-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB Cc1ccc(-c2nnc(S)n2/N=C\C(Cl)=C\c2ccccc2)cc1 6032828 LEXIXSRMSXNWOC-NPPPXDBXSA-N 354.866 4.656 30 40 FJEB Cc1ccc2c(c1)/C(=N/N=C(/C(=O)c1ccccc1)c1ccccc1)C(O)=N2 6674789 KOXSKJPPFOIVHP-LKUDQCMESA-N 367.408 4.673 30 40 FJEB N#Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 8020347 GEFLRFROUONWTC-UHFFFAOYSA-N 367.748 4.632 30 40 FJEB CN(C/C(O)=N/c1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccsc1 82049729 YTYYLLOHLCJKQI-UHFFFAOYSA-N 372.490 4.900 30 40 FJEB C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928625 XIISKOBDMPFZPL-HMBYOLGQSA-N 360.538 4.878 30 40 FJEB CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1c(C)cccc1C 408911492 ZNYRUBZVKWCACM-DLTWUOELSA-N 366.486 4.936 30 40 FJEB COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(OC)cc2)c1 408955099 WDPYGGIRUBDIRT-LPYMAVHISA-N 368.820 4.677 30 40 FJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3[nH]c(-c4ccccc4)nc3c2)c1 2489796 QXYCWPYEUCWASO-CIAFOILYSA-N 358.357 4.594 30 40 FJEB O=C1C(=Cc2coc3c(Cl)cc(Cl)cc3c2=O)C(=O)c2ccccc21 2562161 MBWWCYVHQIDCDS-UHFFFAOYSA-N 371.175 4.562 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H](C)CCc4ccco4)[C@H]3C[C@@H]12 4073362 YKAOGMQSLHIEKX-XPKVDYDOSA-N 371.521 4.505 30 40 FJEB biogenic O=[N+]([O-])c1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)cc1 4793912 POCNDKUFTKFWEH-GIJQJNRQSA-N 358.810 4.818 30 40 FJEB CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1cccc2cccnc12 13140077 IAKFECBNIWYKFA-RELWKKBWSA-N 355.850 4.995 30 40 FJEB CC(=O)Nc1ccc2c(c1)Cc1cc(/N=C/c3ccc4c(c3)OCO4)ccc1-2 18210185 PEDPYQNBVZXDKH-WYMPLXKRSA-N 370.408 4.696 30 40 FJEB N#Cc1c(CSc2nnc(NC3CCCCC3)s2)cn2ccccc12 48310203 VYWOBFSBZDLXTL-UHFFFAOYSA-N 369.519 4.699 30 40 FJEB COc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1 59461346 YEGPUHDBIISOIX-XENGFHBVSA-N 352.415 4.886 30 40 FJEB C#CCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(C)ccc21 100875083 JJCOZFMREYQWJY-FCQUAONHSA-N 356.450 4.539 30 40 FJEB C=CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(Br)c1 216817951 AWRWJRXJPYHRRH-UHFFFAOYSA-N 365.198 4.510 30 40 FJEB CSc1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409105085 GFASAKTVPMNJBG-LZYBPNLTSA-N 367.224 4.535 30 40 FJEB CCOc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 3343498 REHORRRGNPTWCC-UHFFFAOYSA-N 357.409 4.886 30 40 FJEB C/C(=N/Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc2c3c(cccc13)CC2 4519770 BWEFRZKOCHDZQS-QRVIBDJDSA-N 356.385 4.554 30 40 FJEB C=CCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 8471405 VZGZLFGYPKYSQX-UHFFFAOYSA-N 352.261 4.857 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(F)cc1)OCO3 8828662 AFMIMVZMPSWEDP-FQEVSTJZSA-N 365.404 4.755 30 40 FJEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc(Cl)sc1Cl 12765688 ITSBRVQOIQJJOW-SNAWJCMRSA-N 373.257 4.977 30 40 FJEB CCCCN(CC)c1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 19939961 ABKXLQRAYPHELJ-UHFFFAOYSA-N 353.466 4.691 30 40 FJEB CCCCCCCCS(=O)(=O)CCSc1nc2ccccc2o1 100245888 CDESOPBPRYGGEF-UHFFFAOYSA-N 355.525 4.695 30 40 FJEB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1C#N 225798832 VVIIPRQXULROHE-UHFFFAOYSA-N 360.498 4.761 30 40 FJEB Cc1ccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)c1 409098172 NXERBUMKIZTKFY-WYMPLXKRSA-N 358.367 4.954 30 40 FJEB COc1cccc(/C=N\c2ccc(Cl)cc2Cl)c1O[C@H](C)C(=O)O 409244939 KUYXLWJYHGKUAG-ZHLXBYETSA-N 368.216 4.605 30 40 FJEB Cc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1F 6408948 KCULRFQIVVFJOO-UHFFFAOYSA-N 360.388 4.690 30 40 FJEB Cc1sc2nc(CN3CCCC3)nc(Oc3cccc(C#N)c3)c2c1C 8132924 KISLJVPJKUZHQA-UHFFFAOYSA-N 364.474 4.568 30 40 FJEB COc1ccc(-c2n[nH]c(=S)n2/N=C\C(Cl)=C\c2ccccc2)cc1 8572586 ZHBYKSVJOSXGLA-FZDVSRPBSA-N 370.865 4.730 30 40 FJEB O=C(O)C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 33645764 XNZXQBQYVWKNNE-UKTHLTGXSA-N 372.207 4.736 30 40 FJEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c1 214521486 YOGFVYIEDOIPBZ-CPNJWEJPSA-N 365.454 4.796 30 40 FJEB CC/N=C1\S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C(=O)N1CC 223471041 SPJDMSBNFILRFB-JLZFKDTQSA-N 369.534 4.630 30 40 FJEB Cc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1C 408818614 XQCHKRGTPPVGII-MYYYXRDXSA-N 372.468 4.749 30 40 FJEB F[C@@H](C(F)(F)F)C(F)(F)OCCC(F)(C(F)(F)F)C(F)(F)F 1083807022 RMKUPMWDIFDYBZ-VKHMYHEASA-N 364.101 4.719 30 40 FJEB CC(=O)/C(=C/n1c(=S)sc2ccccc21)C(=O)Nc1ccccc1C 1636503 TZDWRHSGVABMAW-KAMYIIQDSA-N 368.483 4.809 30 40 FJEB COc1ccc(/C=N/n2c(N)nc(-c3ccccc3)c2-c2ccccc2)cc1 1882262 WSTPMBQHMGOWAX-PCLIKHOPSA-N 368.440 4.690 30 40 FJEB Nc1nc(-c2ccc(Cl)cc2)cn1/N=C/c1ccc(Cl)cc1Cl 1882298 DGEXCEJGYPOIEC-ODCIPOBUSA-N 365.651 4.975 30 40 FJEB Cc1cc(C)n(/N=C/c2c3ccccc3cc3ccccc23)c(=O)c1C#N 4548326 CSBXKOZZISUJKH-AFUMVMLFSA-N 351.409 4.525 30 40 FJEB Cc1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C#N)c1C 6254877 XTNKOUSHBSIBNX-SECBINFHSA-N 369.273 4.949 30 40 FJEB Cc1cnc(C(=O)N2/C(=N/c3ccccc3C)SCc3ccccc32)cn1 14499376 HXRUSLWAFGMMJK-FLFQWRMESA-N 374.469 4.675 30 40 FJEB CCc1ccc(/C=N\Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 31854485 CMPGGGVNQZSLEF-ODLFYWEKSA-N 352.419 4.727 30 40 FJEB COc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1F 32907512 WFIZEUMRYLBMAU-UHFFFAOYSA-N 351.402 4.548 30 40 FJEB C=CCc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)cc(OCC)c1O 59247891 MXTBJFYKPLNJIQ-SRZZPIQSSA-N 359.809 4.622 30 40 FJEB C=C1[C@H]2CC[C@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1OC(C)=O 100392729 AQBQBBLJTDSVLC-FNQAZOIESA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)[C@@H]1C[C@@H]1c1ccco1 102380146 GOQHMQXGSLKPJV-LIVCADGFSA-N 360.866 4.608 30 40 FJEB CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 408875210 HINPTUQLZKXPHE-WQRHYEAKSA-N 370.449 4.752 30 40 FJEB CSc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 409095200 GRJXFIFDDWZXRA-LZYBPNLTSA-N 367.224 4.535 30 40 FJEB C[C@@H]1C[C@@H](N[C@H](CCCC#N)c2ccccc2)CN(Cc2ccccc2)C1 552083359 ACVYQSVRHTVDDG-AGILITTLSA-N 361.533 4.922 30 40 FJEB CCc1c(C#N)c(SCc2c(C)noc2C)nc2c1C(=O)CC(C)(C)C2 2502413 KWLXUCWSOPMBFC-UHFFFAOYSA-N 369.490 4.568 30 40 FJEB N#Cc1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 4309010 FITACASBRAKALN-UHFFFAOYSA-N 372.453 4.750 30 40 FJEB COc1cc(/C=N/Nc2ccccc2Cl)ccc1OC(=O)c1ccco1 4921790 KBCIFYJDZXVMNK-CIAFOILYSA-N 370.792 4.607 30 40 FJEB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 5844288 JJBJNVDHEPWBDU-UHFFFAOYSA-N 354.475 4.786 30 40 FJEB CN(C)c1ccc(/C=C2\Sc3ccccc3C2=O)cc1Br 13549152 HXDAARREVCPLEA-YBEGLDIGSA-N 360.276 4.845 30 40 FJEB CC1=C(C(=O)c2ccccc2Cl)[C@@H](c2ccccc2Cl)NC(=O)N1 26780243 QPZKPCZBUUQBOI-MRXNPFEDSA-N 361.228 4.504 30 40 FJEB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225846504 NCSNQXJOXBSBMU-NRFANRHFSA-N 360.498 4.907 30 40 FJEB CCn1c(N/N=C(/C)c2ccc(Br)cc2)nc2ccccc21 408692198 GWZXNMQKLRIMFH-NDENLUEZSA-N 357.255 4.655 30 40 FJEB C#CCn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 408811136 KJQGHARZFDVUBF-UYRXBGFRSA-N 358.422 4.515 30 40 FJEB CCCCCCCCCCS(=O)(=O)N/N=C/c1c[nH]c2ccccc12 3092385 GTFJGVAJUULCDY-LTGZKZEYSA-N 363.527 4.562 30 40 FJEB O/N=C(/Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 4051670 PNSMOFYXFKBRGY-UHFFFAOYSA-N 350.127 4.655 30 40 FJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 5517293 KBCBLNIQLCPDPE-INIZCTEOSA-N 361.228 4.504 30 40 FJEB N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)cc1Cl 6051493 MSVWIFXROCOAAN-UHFFFAOYSA-N 355.608 4.536 30 40 FJEB CCc1nc(SCC(=O)c2ccc(C)cc2)c(C#N)c2c1CCCC2 6570393 IUJFYRAEAFYPOD-UHFFFAOYSA-N 350.487 4.678 30 40 FJEB COc1ccc2c(c1)CC/C(=C/c1ccc(OC)c(OC(F)F)c1)C2=O 21334210 MVCQIFGSMJFLFT-ZROIWOOFSA-N 360.356 4.518 30 40 FJEB CCOc1ccc2ccccc2c1/C=N\OCC(=O)Nc1ccc(C)cc1 34848913 NMJIUVXRNSDXLL-UCQKPKSFSA-N 362.429 4.536 30 40 FJEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1 213158556 WLAFLJSTEWAWSL-KLPPEWMLSA-N 366.486 4.882 30 40 FJEB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC(C)CC1 225856866 ASPIDSBLPZYAQN-UHFFFAOYSA-N 372.509 4.907 30 40 FJEB COc1ccc(/C=N/Nc2ccccc2)cc1Oc1nc(Cl)ncc1F 409007698 QIMPDXKNGKOCFR-LSHDLFTRSA-N 372.787 4.516 30 40 FJEB CCN(CC)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 409105442 JLOVEHORZHQODQ-XQNSMLJCSA-N 361.445 4.772 30 40 FJEB COC(=O)c1ccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 409184718 ZWGNKAJRCIVIJP-CMDGGOBGSA-N 350.201 4.589 30 40 FJEB COc1ccc([C@@H]2CCCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 1715760 MCABBJPUFYFWOF-LEWJYISDSA-N 374.502 4.825 30 40 FJEB CC1(C)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@]1(C)/C(=N/O)C2 13477721 FEVRAXSZZSFJDH-QDAPYELHSA-N 355.265 4.979 30 40 FJEB O/N=C/c1c(SCc2cccc(C(F)(F)F)c2)nc2sccn12 100324505 CWJAHKCPRQQPQF-CNHKJKLMSA-N 357.382 4.515 30 40 FJEB C/N=C1/S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1C 101650076 MYIUZWKRLJAZPW-AFEKCPOISA-N 364.879 4.616 30 40 FJEB CCn1c(C)cc(/C=N\c2ccc(I)c(C)c2)c1C 409098559 IUDJXXSYEVRWQZ-ZDLGFXPLSA-N 366.246 4.788 30 40 FJEB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 409158943 YQSZFWAZSCQWKK-VXLYETTFSA-N 373.437 4.585 30 40 FJEB C=C1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 1250167 HAXTUDYYZJROKR-BJKOFHAPSA-N 366.484 4.971 30 40 FJEB CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1 13688904 OBRLLBBOCJNCAN-KRWDZBQOSA-N 354.475 4.906 30 40 FJEB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CC#N)cc1 222914770 FLBJMESHCKRNMC-HXUWFJFHSA-N 350.462 4.846 30 40 FJEB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C#N 225683462 DXHLZPMVAWOSEW-UHFFFAOYSA-N 366.436 4.937 30 40 FJEB N#Cc1ccccc1Sc1ccccc1NC(=O)COc1ccccc1 4108780 WIBAQVJGZZBACN-UHFFFAOYSA-N 360.438 4.727 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N=C1C(=C(O)c3ccccc31)[C@@H]2c1cccnc1 4677890 BXHOZBZIOYKSEB-GOSISDBHSA-N 356.425 4.594 30 40 FJEB COc1ccc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cc1O 5898385 WZLYEZPTNPUBES-WUXMJOGZSA-N 351.446 4.677 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C)cc1 8362975 SOEKTYROQQFOAD-NFYBBCHUSA-N 366.486 4.936 30 40 FJEB N#Cc1c(N)nc(SCc2cccc(F)c2)c(C#N)c1-c1cccs1 20065322 ZDLSOMOQOQEBNJ-UHFFFAOYSA-N 366.446 4.567 30 40 FJEB Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCOCC1 32115443 PFHNHKQDVOCBDP-XIEYBQDHSA-N 372.468 4.570 30 40 FJEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2cccc([N+](=O)[O-])c2)o1 408962438 SBRBDTKFKVLWEG-JAIQZWGSSA-N 350.330 4.612 30 40 FJEB Cc1ccc(C)c2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc12 1354275 YTZKVPDQVOCCMT-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB COC(=O)c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1Cl 4649307 LXSZNGGLYSXCOA-CIAFOILYSA-N 354.793 4.833 30 40 FJEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(Br)cc1 4925132 FVOCNCWWKHRZJQ-GIJQJNRQSA-N 367.630 4.637 30 40 FJEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C\c1ccc(Cl)cc1Cl 6269209 XUEZKMGUEWSFQM-AUWJEWJLSA-N 365.241 4.591 30 40 FJEB COc1cccc2cc(C(=O)/C=C/c3c(C)nc4sc(C)cn34)oc12 12525204 MFDJQYIQBUDKFP-BQYQJAHWSA-N 352.415 4.664 30 40 FJEB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(C#N)cc2)s1 19819616 IFWLGQGPPDLNDJ-UHFFFAOYSA-N 353.472 4.623 30 40 FJEB C#Cc1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 24716152 HQSHMRLTYKSZKW-UHFFFAOYSA-N 352.846 4.626 30 40 FJEB Cc1ccc(N=C/C=C/c2ccc(Br)c([N+](=O)[O-])c2)c(O)c1 254408238 XBEGKMBQJCSNCI-FLGXVMQYSA-N 361.195 4.787 30 40 FJEB CC[C@H](C)Oc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1OC 408596755 UDTONYILUQCNKM-XMTZNVEYSA-N 372.852 4.948 30 40 FJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc(O)c3)c2C)c1 408965820 IVQIXXSFTQSQMC-UCQKPKSFSA-N 362.429 4.727 30 40 FJEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(C)c(OC)c3)nc1-2 409043781 AODAUUJBJWWPHW-NHDPSOOVSA-N 350.443 4.791 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O 409065460 LXXRUILKNZGSBR-LDADJPATSA-N 369.417 4.627 30 40 FJEB O=C(OCC#CCSc1nc2ccccc2o1)c1cc2ccccc2o1 2260389 CDCFSINNCBTHAU-UHFFFAOYSA-N 363.394 4.527 30 40 FJEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 6110693 OBQMYRMGQXTDBM-XBQPDYEUSA-N 368.388 4.922 30 40 FJEB biogenic CCOc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)N=C2O)cc1OC 6554494 XSMRCXSWNVUHRK-BOPFTXTBSA-N 370.430 4.531 30 40 FJEB COc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)cs2)cc1OC 7350346 KCBDDNWYNAMSMK-FYJGNVAPSA-N 353.447 4.663 30 40 FJEB Cc1c(Cl)cccc1NC(=O)[C@H](C)SCCOc1ccc(C#N)cc1 15498466 XMOOMDRIDDDKGW-AWEZNQCLSA-N 374.893 4.659 30 40 FJEB CC(C)Oc1ccc(F)cc1NCc1ncc(-c2ccc(C#N)cc2)o1 72912217 DYJQQMMEOBALTE-UHFFFAOYSA-N 351.381 4.752 30 40 FJEB CCCCCCCCOc1ccc(/C=C\C(C)=N/NC(=N)NC)cc1OC 104265815 LETGDTPRMOTUQV-NPXOQGRBSA-N 374.529 4.567 30 40 FJEB C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC 408691796 QILWYYPLNLKNFT-DHZHZOJOSA-N 354.833 4.955 30 40 FJEB C=CCn1c([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2)nc2ccccc21 4033327 GINZMFLBWPDQFB-HNNXBMFYSA-N 365.864 4.705 30 40 FJEB CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 4499620 SJNJZRQOIPAVNW-NYYWCZLTSA-N 365.376 4.805 30 40 FJEB N#Cc1ccccc1CSc1nnc(-c2ccccc2F)n1C1CC1 7327677 KXIFVNZUKSHHJE-UHFFFAOYSA-N 350.422 4.583 30 40 FJEB C#CCn1c(SCCOc2ccc(Cl)c(C)c2)nc2ccccc21 12062262 VMTLHDBJMVKRRZ-UHFFFAOYSA-N 356.878 4.802 30 40 FJEB CN1/C(=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)c2ccccc21 18089483 KCUSBGLHOXSJMH-WQRHYEAKSA-N 356.809 4.742 30 40 FJEB Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ccc(C(F)(F)F)cn1 409104348 DFXPHHIGVRTIDQ-DENHBWNVSA-N 350.127 4.559 30 40 FJEB Cc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)cc1 1079582 BFBAPZQDRSNFNS-INIZCTEOSA-N 367.395 4.801 30 40 FJEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1nc2c(ccc3ccccc32)nc1C 4265759 KQOHNCDRIOLWAT-ZVHZXABRSA-N 371.400 4.836 30 40 FJEB CCc1ccc2nc(SCC(=O)OCc3ccccc3)c(C#N)cc2c1 4848964 OWAYUNFGRURPIO-UHFFFAOYSA-N 362.454 4.504 30 40 FJEB O=[N+]([O-])c1ccc(/N=C(\Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 6474385 KFLPCICTWBNCQY-VXPUYCOJSA-N 363.329 4.660 30 40 FJEB COc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccccc3)n2)cc1 33011182 KIKMMZXDTGWXKG-UHFFFAOYSA-N 360.438 4.604 30 40 FJEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2ccc(C)c(C)c21 46084672 ZDYCARIVLSFSSS-ATJXCDBQSA-N 366.461 4.598 30 40 FJEB CCCC1=C(OC(C)=O)C(=O)C2=C(CC[C@H]3[C@@H](C)[C@@H](C)CC[C@]23C)C1=O 68601703 KKESNQCARUKKLJ-GQXIFVTJSA-N 358.478 4.534 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OC 408703666 WHLOIKMUFYIENL-UHFFFAOYSA-N 360.251 4.747 30 40 FJEB N#Cc1c(Cl)nsc1NCC1(c2cccc(C(F)(F)F)c2)CC1 727433063 WICXVMHNGHQXSR-UHFFFAOYSA-N 357.788 4.831 30 40 FJEB C=CCOc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 1787459 UPFRYBPSABYTBW-UHFFFAOYSA-N 373.202 4.913 30 40 FJEB CCN(CC)c1ccc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc1 2339806 QNKQUFCBTREIGL-ZHZULCJRSA-N 357.527 4.717 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 4551145 LRMYCTWHWUHRHN-AQTBWJFISA-N 367.495 4.653 30 40 FJEB O=C(/C=C/c1ccc(Br)o1)c1ccc(Br)cc1 4851384 QHIMUGKUHSSSSU-FNORWQNLSA-N 356.013 4.701 30 40 FJEB COc1cccc(-c2nnc(SCCCC#N)n2-c2ccc(C)cc2)c1 9379114 MKZUUIAYDDWGMJ-UHFFFAOYSA-N 364.474 4.647 30 40 FJEB CC(C)c1ccc(-c2cs/c(=N\N=C\c3ccc4c(c3)OCO4)[nH]2)cc1 27526029 ZKMLRUHUEUJXBF-UFFVCSGVSA-N 365.458 4.530 30 40 FJEB COc1cccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)c1 59461356 HTNUXXRIFPECBX-YZJQUUSSSA-N 352.415 4.886 30 40 FJEB CCCCCCCCNC(=S)N1CCN(c2cccc(C)c2C)CC1 100339603 LIJXYZAWNNEJSL-UHFFFAOYSA-N 361.599 4.660 30 40 FJEB N#Cc1c(Nc2ccc(F)cc2)sc(C(=O)c2ccc(Cl)cc2)c1N 2346623 VXQFDVLHRMLKKA-UHFFFAOYSA-N 371.824 4.969 30 40 FJEB CCc1ccc2nc(SCC(=O)Nc3cccc(C)c3)c(C#N)cc2c1 4848917 JXWICMVUKYYLNE-UHFFFAOYSA-N 361.470 4.708 30 40 FJEB CC(=O)/C(=N\Nc1ccccc1Cl)Sc1cccc2cccnc12 13140149 QZABAUGUFDUGHY-RELWKKBWSA-N 355.850 4.995 30 40 FJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1c[nH]c2ccccc12 97959865 YALXONUQCWRJKI-SXGWCWSVSA-N 353.834 4.713 30 40 FJEB O=C1/C(=C\c2csc(-c3ccc(F)cc3)n2)CCc2cc(O)ccc21 98009364 YUSMIBCCKCVLJG-ZROIWOOFSA-N 351.402 4.867 30 40 FJEB O=[N+]([O-])c1cc(/C=N/O)ccc1SCc1cccc(C(F)(F)F)c1 100324563 GHWFOLLFVSELTG-UFWORHAWSA-N 356.325 4.714 30 40 FJEB Cc1ccc(COc2ccccc2/C=N/OCc2ccccc2C#N)cc1 408593533 ASRPSBRCTAFCKO-MFKUBSTISA-N 356.425 4.996 30 40 FJEB CCOc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1 5509611 XVNYCIQNNMDYBU-UHFFFAOYSA-N 362.458 4.879 30 40 FJEB CSc1nc(Nc2ccc(F)cc2)c(C#N)c(-c2ccc(C)cc2)n1 5607391 GUXPMNMYSYIGRM-UHFFFAOYSA-N 350.422 4.928 30 40 FJEB N#CCCN(Cc1ccco1)C(=S)Nc1ccc(Cl)cc1Cl 6507981 ZFCZEVBZAQBGLH-UHFFFAOYSA-N 354.262 4.699 30 40 FJEB O=C(Nc1ccc(F)cc1)O/N=C(\c1ccccc1)[C@H](O)c1ccccc1 6618332 HKTBBAHNZLGJQH-FIPQWBAWSA-N 364.376 4.512 30 40 FJEB O=C(/C(=N/N=C/c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 6674712 FWEWNYXCCZYPAE-LKZVIGDNSA-N 351.409 4.874 30 40 FJEB C=CCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 8470410 QQIGLKSHJIYSBG-UHFFFAOYSA-N 352.261 4.857 30 40 FJEB Cc1noc2c1[C@@H](c1ccccc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 13655807 OGILBNNCZIBGHL-HRAATJIYSA-N 372.424 4.647 30 40 FJEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 18198715 NITSVLCIJMEQRB-SFHVURJKSA-N 369.848 4.574 30 40 FJEB COc1cc(/C=C2/Cc3ccccc3C2=O)cc(Cl)c1OC(F)F 96766642 UQKNJVHTXXABGT-SDQBBNPISA-N 350.748 4.772 30 40 FJEB CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1Cl 224118823 PTMYMMSPBFPVQW-MHWRWJLKSA-N 371.820 4.634 30 40 FJEB N#CCSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 408748863 CJCQIKBELARIKE-UHFFFAOYSA-N 359.863 4.818 30 40 FJEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC(=O)O 1282703 LQCVNFADRMEHDE-UHFFFAOYSA-N 370.430 4.665 30 40 FJEB O=C(c1ccccc1)[C@@H]([C@@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 2303137 DIIAGCCUJQJDPE-FCHUYYIVSA-N 370.408 4.828 30 40 FJEB C=C(C)C(=O)Nc1cccc(/C=C/C(=O)c2cccc(NC(=O)C(=C)C)c2)c1 4416741 XIJLUHFRHKOKOZ-VAWYXSNFSA-N 374.440 4.612 30 40 FJEB O=C1/C(=C/c2ccco2)S/C(=N\c2ccccc2)N1Cc1ccco1 4526109 NSSLYGQPOAZDDC-QTBWCZOLSA-N 350.399 4.677 30 40 FJEB COc1ccc2c(c1)c(/C=C/C(=O)c1ccc(Br)cc1)cn2C 4888267 CUQGJDIIPJVUBO-BJMVGYQFSA-N 370.246 4.846 30 40 FJEB CCOc1cccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1O 4919844 MCDUQZDFTWZNQQ-ZVBGSRNCSA-N 358.747 4.909 30 40 FJEB O=c1oc2ccccc2cc1-c1csc(N/N=C\[C@@H]2CC=CCC2)n1 9330808 UGHGKIWJIWQYMO-RBFBNPFJSA-N 351.431 4.671 30 40 FJEB CCN1C=C(C(=O)/C=C/c2ccc(C)cc2)[C@@H](c2ccc(C)cc2)NC1=O 12408155 QYTIAKGHDZKJLY-YDYPUGOESA-N 360.457 4.556 30 40 FJEB Cc1cc(C)nc(N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1 33414899 DVUBZMUXGWOXEY-NHDPSOOVSA-N 353.857 4.600 30 40 FJEB CCCCCCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12 97949624 KXSONAXGUMWLTJ-UHFFFAOYSA-N 358.482 4.867 30 40 FJEB CCN1C(=O)/C(=C/c2ccc(C)s2)S/C1=N/c1ccc(OC)cc1 102905013 XABLNBGXFALPPC-QOOZPXINSA-N 358.488 4.689 30 40 FJEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 3422315 LECPUEGCWWFDMV-QGZVFWFLSA-N 372.424 4.543 30 40 FJEB CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C/c1ccc(O)cc1 6356730 UEFNSYHGJAGSNJ-XPGYWVKTSA-N 357.866 4.530 30 40 FJEB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 9142113 ISHXXAPRURSMPT-UHFFFAOYSA-N 360.866 4.558 30 40 FJEB O=C(Nc1cccc(/N=C/c2ccc([N+](=O)[O-])o2)c1)c1ccccc1Cl 16449351 BNZJNCCPLQQSBA-RGVLZGJSSA-N 369.764 4.844 30 40 FJEB CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C(C)C)cc1 17821513 KXXOUXDLELBYGW-NRFANRHFSA-N 357.453 4.967 30 40 FJEB CCCCCCCn1c(=N)n(CCOc2ccccc2)c2ccccc21 100698837 RHHZEFOBANXTOZ-UHFFFAOYSA-N 351.494 4.972 30 40 FJEB Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(Sc3ccccc3)nc12 111924099 XMKKBVRHMYVBME-HZHRSRAPSA-N 371.465 4.905 30 40 FJEB CC(C)C/N=C1/NCCCCCCOc2ccccc2Oc2ncccc21 643570902 WXZOKKRHYCYKPI-UHFFFAOYSA-N 367.493 4.819 30 40 FJEB COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(N)c2C#N)cc1OC 2505852 WIXYTROWBNWBLN-UHFFFAOYSA-N 369.424 4.672 30 40 FJEB C=C(C)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 3284682 CCVMRJBJSCUZMK-UHFFFAOYSA-N 356.878 4.766 30 40 FJEB C=C(C)CSc1nc(-c2cccc(OC)c2)nc2c1COC(C)(C)C2 5246027 LDWNGURHHCXPRZ-UHFFFAOYSA-N 356.491 4.672 30 40 FJEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 5517406 JTDTXFYTRWZVNY-INIZCTEOSA-N 361.228 4.504 30 40 FJEB COc1ccc(-c2c(C#N)cnc3cc(-c4ccc(Cl)cc4)nn23)cc1 5675962 ZTUFTRDRHPBHAA-UHFFFAOYSA-N 360.804 4.597 30 40 FJEB Nc1ccc(Oc2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1 6815735 SDPJVQZLJGLBPH-UHFFFAOYSA-N 363.804 4.787 30 40 FJEB N#Cc1cccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)c1 7395844 BOYMXPKXMPIEMC-UHFFFAOYSA-N 354.818 4.692 30 40 FJEB Cn1c(C(C#N)(Cc2ccccc2)Cc2ccccc2)nc2ccccc21 12560531 QGXUNOHQZZMROO-UHFFFAOYSA-N 351.453 4.820 30 40 FJEB CC/N=C1\S/C(=C\c2cc(C(C)C)c(OCC)cc2C)C(=O)N1CC 15010306 DKHDAVHPUFHQDD-RTPYTOBHSA-N 360.523 4.829 30 40 FJEB COC(=O)c1sc(/N=C/c2ccc(Cl)c(Cl)c2)c(C#N)c1C 16249628 QGGRLLPNVUTRCD-FBCYGCLPSA-N 353.230 4.772 30 40 FJEB N#Cc1c(-c2ccccc2)cc(-c2cccc(Br)c2)nc1N 19708185 LTUFQXNNTKDUFV-UHFFFAOYSA-N 350.219 4.632 30 40 FJEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(C)cc1 20033952 XKNUFBSPLXAGJJ-LZYBPNLTSA-N 371.820 4.552 30 40 FJEB COc1ccc2c(c1)CC/C(=C/c1ccccc1OCc1ccccn1)C2=O 22504116 XCUVPWYBVIJBGT-RGEXLXHISA-N 371.436 4.882 30 40 FJEB N#Cc1nc(-c2ccccc2)oc1N1CCC(c2nc3ccccc3o2)CC1 27562784 VAEMPUKMXHXAIM-UHFFFAOYSA-N 370.412 4.738 30 40 FJEB CCC(CC)CN(CCC#N)C(=O)Nc1cc(Cl)ccc1N(C)C 75105226 WWZFJAZKLZTJRC-UHFFFAOYSA-N 350.894 4.590 30 40 FJEB C=C(C)COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 219788966 HWVHXNLDSJGAKY-LJQANCHMSA-N 351.446 4.674 30 40 FJEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccccc3)c2)cc1 409199902 FMDMERIIMGEFNL-QNGOZBTKSA-N 351.427 4.513 30 40 FJEB C[C@H](Nc1oc(COc2cccc(Cl)c2)nc1C#N)c1ccccc1 2333696 CNNBGJFFOCTYAU-ZDUSSCGKSA-N 353.809 4.952 30 40 FJEB Cc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c(C#N)c(N)c2C#N)cc1 2505850 PNNKAMLGKCOZKM-UHFFFAOYSA-N 354.369 4.563 30 40 FJEB CCOc1ccccc1/N=C1\SC[C@H](C)N1C(=O)c1ccccc1C 2658391 ZBCVMDJBZPNOED-ANNUQZOISA-N 354.475 4.659 30 40 FJEB N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 3343273 IIQMAOHAPNYOHZ-LHHJGKSTSA-N 370.364 4.752 30 40 FJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21 4384979 KGWIFDJLPLEHJC-GOSISDBHSA-N 359.473 4.695 30 40 FJEB C/C(=N\OC(=O)c1ccc(F)cc1)c1ccc(N2CCCCC2)c(F)c1 4455815 YRWBTAXFLYXCMW-OEAKJJBVSA-N 358.388 4.536 30 40 FJEB CCCCCCCCCCOC(=O)N1C(=O)NC(=O)[C@@H]1c1ccccc1 104136808 MPKPNUYTYIQPJX-KRWDZBQOSA-N 360.454 4.557 30 40 FJEB C#CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 216848228 SQSNCEMNBZRPMD-UHFFFAOYSA-N 353.176 4.502 30 40 FJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1C 2448388 JZEFBZMLAJEBMC-ODLFYWEKSA-N 361.470 4.687 30 40 FJEB Cc1ccc(C(=O)/C=C(O)/C(O)=C/C(=O)c2ccc(C)cc2C)c(C)c1 5892307 YQLOEWPYJGYQAM-IINORCHSSA-N 350.414 4.870 30 40 FJEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 8184046 VWNYBEHLAFBOGE-MRXNPFEDSA-N 372.424 4.640 30 40 FJEB C=CCc1cc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)ccc1OC 20491680 GFVNOVOYARRWFN-NRFANRHFSA-N 367.489 4.950 30 40 FJEB C=CCN(Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)C1CCCC1 62581095 XJFHEHBXENLHDL-UHFFFAOYSA-N 362.930 4.660 30 40 FJEB C=CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408572743 RXOBGDUDKYDHKE-INIZCTEOSA-N 356.809 4.795 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 4385008 QNUXWJMUCBQOAB-HNNXBMFYSA-N 365.864 4.786 30 40 FJEB O=c1cc(-c2ccccc2)c2ccc(OC/C(=N/O)c3ccccc3)cc2o1 4871448 PJEKACSXNQJEAT-FLFQWRMESA-N 371.392 4.717 30 40 FJEB biogenic CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)NC(=O)N1 5787380 JWBDQYMDFVQNBU-MRXNPFEDSA-N 361.228 4.504 30 40 FJEB CCOC(=O)C(C)(C)Oc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 17216299 SQBRVDDXUNNYPO-AUWJEWJLSA-N 372.848 4.957 30 40 FJEB C/C(=N/Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccccc1O 18066430 ZGMBWXNFIUNASM-WGARJPEWSA-N 372.403 4.978 30 40 FJEB C=C(C)COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219792456 WPYQIDFQKASAMZ-FQEVSTJZSA-N 365.473 4.982 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)OCC)c1C 219813104 TXQQTUADCAZNAT-UHFFFAOYSA-N 355.459 4.702 30 40 FJEB Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(N(C)C)cc1 408742141 VALSFRXCMZWONH-HYARGMPZSA-N 362.433 4.819 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(S)c2ccccc12 409042737 XPGPEWSCCMIPAA-HOEBFWFUSA-N 370.293 4.842 30 40 FJEB COc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 885434 LWLWBAFUHMFAOP-QHCPKHFHSA-N 356.425 4.917 30 40 FJEB N#Cc1ccc(-c2ccc(Cl)cc2)n(Cc2ccccc2Cl)c1=O 1402951 MEQAZTMFDKECKE-UHFFFAOYSA-N 355.224 4.742 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCC4=CCCCC4)[C@H]3C[C@@H]12 4028417 VPTHFEXYJFCRLI-ZFVIQDPVSA-N 357.538 4.781 30 40 FJEB biogenic Cc1ccc(NC(=O)CCC(=O)[C@@H](C#N)c2ccc(Cl)cc2)cc1C 6488126 CIAOLGIQNCAKAM-SFHVURJKSA-N 354.837 4.552 30 40 FJEB COc1ccc(/C=N/N=C(\Cc2nc3ccccc3[nH]2)c2ccccc2)cc1 28294525 OEFSALHUWWWEHR-ILMMHNRGSA-N 368.440 4.637 30 40 FJEB CC1(c2ccccc2)CC(/C(=N\NC(O)=S)c2cc3ccccc3o2)C1 68602726 PSDSYKSJWZARJJ-ZBJSNUHESA-N 364.470 4.937 30 40 FJEB C#CCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1OC 409111396 AIHVWNZJTGBCMA-UHFFFAOYSA-N 350.245 4.935 30 40 FJEB Cc1[nH]c2ccc(F)cc2c(=O)c1SC(F)(F)[C@H](F)C(F)(F)F 5049526 BLSZVXGOLURTQP-LLVKDONJSA-N 359.266 4.561 30 40 FJEB Cc1ccc(-c2cc(-c3nnc(SCC#N)n3C)c3ccccc3n2)cc1 7236057 TUAGRAZCXPPDSX-UHFFFAOYSA-N 371.469 4.621 30 40 FJEB Cc1sc2nc(CN3CCCC3)nc(Oc3ccccc3C#N)c2c1C 8192069 FVXMSLCDWBHLKP-UHFFFAOYSA-N 364.474 4.568 30 40 FJEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1ccco1)C2=O)CC(C)C 20649378 DMRDPTHWZDPKBK-JMIUGGIZSA-N 369.461 4.715 30 40 FJEB CCNC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc(Cl)cc2)S1 26896855 VFBSIEKYWFEUHL-KRWDZBQOSA-N 371.889 4.791 30 40 FJEB C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2C[C@@H]1OC(C)=O 35464981 TUKYTUMQZQFKNX-UQYSYHQNSA-N 360.494 4.748 30 40 FJEB biogenic,in-vitro N#CC1(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)CCCCC1 57431231 VBYQCJSRQYKVEF-UHFFFAOYSA-N 362.477 4.638 30 40 FJEB N#Cc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 58310697 VGDIUJKORYKKCP-UHFFFAOYSA-N 370.250 4.522 30 40 FJEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225043800 XIAVSHLZIUSRRE-UHFFFAOYSA-N 351.471 4.838 30 40 FJEB Brc1ccc(-n2cccc2/C=N\OCc2ccccc2)cc1 408844012 HXCCGFDALMCXMB-MOSHPQCFSA-N 355.235 4.791 30 40 FJEB C=CCn1c(SCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1787785 MKWLCZYAOSMEBX-UHFFFAOYSA-N 366.530 4.966 30 40 FJEB biogenic O=C(Nc1ccc(Cl)cc1)O/N=C/c1sc(Cl)nc1Cl 2152000 UKDZIBOUXXNFOX-PJQLUOCWSA-N 350.614 4.686 30 40 FJEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1ccccc1 5127798 QTDBAHFMTAMGMZ-ZHZULCJRSA-N 373.481 4.986 30 40 FJEB C[C@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)Oc1ccccc1 5766565 PSFHMFHSQQOEFX-QHCPKHFHSA-N 367.408 4.783 30 40 FJEB CCOc1ccc(/N=C/c2cc(Br)c(OC)c(OC)c2)cc1 6962101 VYPLSPBIEKTZPH-YBFXNURJSA-N 364.239 4.616 30 40 FJEB COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(F)cc1 20762695 UZTQJCFIRFWISK-MFKUBSTISA-N 364.420 4.537 30 40 FJEB N#Cc1cccnc1NCc1ccccc1-c1ccc(CN2CCCC2)cc1 24212447 ZFZLTYSGXPFWDT-UHFFFAOYSA-N 368.484 4.828 30 40 FJEB CCCCCCC[C@H](O)CC(=O)O[C@H](CCCCCCC)CC(=O)O 87527749 ZFPAFAWFRTWCSK-ZWKOTPCHSA-N 358.519 4.845 30 40 FJEB biogenic,in-vitro O=C(/C=C(/O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1 100244424 GUDUITNCMNVOMZ-WEVVVXLNSA-N 350.617 4.798 30 40 FJEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3cccc(F)c3)S2)cc1 110705067 CADXSNXUPLCUEM-QGOAFFKASA-N 369.465 4.564 30 40 FJEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1C1CCCCC1 225895021 JBQONSJTDYZBDO-UHFFFAOYSA-N 358.898 4.924 30 40 FJEB Cc1ccc(COc2ccccc2/C=N\OCC(=O)Nc2ccccc2)cc1 409379575 XXIPUNRZFLYFKW-IWIPYMOSSA-N 374.440 4.563 30 40 FJEB CCN(CC)c1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)c(O)c1 670209 DGFITBSPTSJFHO-WSDLNYQXSA-N 352.356 4.888 30 40 FJEB COc1ccc(-n2nc(-c3ccc4c(c3)CCC(C)(C)O4)cc2CC#N)cc1 988106 MOQUBBQXNUTRDF-UHFFFAOYSA-N 373.456 4.718 30 40 FJEB Cn1cc(-c2ccc(CCO[C@@H]3CCCCO3)cc2)c2c(C#N)cccc21 5580217 JTXWFGCXVHYEDK-JOCHJYFZSA-N 360.457 4.803 30 40 FJEB CCCCCCCCNC[C@@H](O)COc1ccc(SC(C)C)cc1 8214469 ZAPDURRCHSKKKK-GOSISDBHSA-N 353.572 4.877 30 40 FJEB in-man N#Cc1cnc2c(/N=N\c3ccccc3Cl)c(N)nn2c1-c1ccccc1 13144082 PUKXTUIWOODSOW-IZHYLOQSSA-N 373.807 4.919 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(C)C)cc3)S2)cc1 408530243 JGOBNZBGSGJRGH-PDGQHHTCSA-N 352.459 4.674 30 40 FJEB CC(C)(C)c1ccc(C(=O)/N=C2/N=C3C=CC=CN3Cc3ccccc32)cc1 3216891 FVXMLJCXMSVLBF-XTCLZLMSSA-N 369.468 4.869 30 40 FJEB Cc1ccccc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 8570915 ZUNHLPFRHPPAGL-RCCKNPSSSA-N 351.427 4.513 30 40 FJEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 18196729 GUWSBGIYJVXDDU-IBGZPJMESA-N 353.805 4.633 30 40 FJEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2cccc(OC)c2)o1 28236419 AWHZGBXNKCPAGC-UHFFFAOYSA-N 363.413 4.848 30 40 FJEB C=CCSc1ccccc1NS(=O)(=O)c1ccc(F)cc1Cl 48354067 WOJVYXRPVGQBLY-UHFFFAOYSA-N 357.859 4.558 30 40 FJEB O=C(/C(=N/Nc1ccccc1)C(=S)Nc1ccccc1)c1ccccc1 102900622 YTHWCAALYYVHDG-CLCOLTQESA-N 359.454 4.777 30 40 FJEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 634038 KOXYEUFKDOGQOJ-HXUWFJFHSA-N 373.452 4.822 30 40 FJEB O=C(C[n+]1cccc(/N=C(\O)c2ccccc2)c1)c1cccc2ccccc12 1878956 YFKFJHGNRYDDBF-UHFFFAOYSA-O 367.428 4.647 30 40 FJEB aggregator CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/c1ccc(OC)cc1 2132538 KEUSMQAKEPJVQC-LVWGJNHUSA-N 372.424 4.725 30 40 FJEB N#Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)sc2c1CCCC2 4880466 AOUZVQBICZHARN-UHFFFAOYSA-N 367.405 4.545 30 40 FJEB CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC 7351534 CHRGUYVRRPOVSR-GQCTYLIASA-N 374.820 4.762 30 40 FJEB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C#Cc2ccccn2)c1 84609788 UITLRGZUZDLZDL-GXDHUFHOSA-N 358.828 4.787 30 40 FJEB CCCCCCCCCCCCCCCC(=O)N(CCCN)CCCN 104132613 JLHNIIPZVWQFGB-UHFFFAOYSA-N 369.638 4.994 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccccc1C 408708446 ZXKBAWINMHNJRJ-UHFFFAOYSA-N 360.542 4.648 30 40 FJEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccs1 409294517 MNDPPJSVYADGMW-UHFFFAOYSA-N 371.421 4.753 30 40 FJEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3O)c3ccccc32)o1 409393636 RQLFEYAKPBMDAH-FMCGGJTJSA-N 374.396 4.525 30 40 FJEB Cc1ccccc1[C@@H]1CC(=O)N(c2ccc(F)cc2F)C2=C1C(=O)CCC2 1080115 XMUGPBGLAYTBAY-INIZCTEOSA-N 367.395 4.801 30 40 FJEB C=CCn1c(C)cc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c1C 6671361 NWUNTWCNLNWAON-UHFFFAOYSA-N 365.502 4.904 30 40 FJEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nnc1-c1ccoc1C 9495053 HKLVUPSOBMJWMH-ZDUSSCGKSA-N 371.437 4.535 30 40 FJEB CC(/C=N\N1CCN(Cc2ccccc2Cl)CC1)=C\c1ccccc1 19771775 KWVXTUBVGIUVEN-PTUHFYJISA-N 353.897 4.547 30 40 FJEB Cc1cc(C)n2nc(SCc3ccc(-c4ccccc4C#N)cc3)nc2n1 22410035 QQUZEBJGRRCMCQ-UHFFFAOYSA-N 371.469 4.572 30 40 FJEB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 225761473 QRVREORALVYULQ-UHFFFAOYSA-N 366.436 4.937 30 40 FJEB C=CCn1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c2ccccc21 408898628 QMKFEPFHVAMWAD-UHFFFAOYSA-N 373.452 4.955 30 40 FJEB N#Cc1c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)sc2c1CCC2 2465613 NBTHKOXERYTBIK-UHFFFAOYSA-N 369.833 4.669 30 40 FJEB O=C1S[C@@H](/C=N/OCc2cccc(C(F)(F)F)c2)c2ccccc21 5280299 LZZCQRUIEMKJDF-PZEXIZOFSA-N 351.349 4.836 30 40 FJEB C=CCOc1ccc(Br)cc1/C=N/c1oc(C)c(C)c1C#N 14134477 DKJUYEKQHBACOR-KEBDBYFISA-N 359.223 4.846 30 40 FJEB CC/C(=N/CC/N=C(/CC)c1cc(C)ccc1O)c1cc(C)ccc1O 17140819 IEEGTJOOPSZWJO-SRPFLQSCSA-N 352.478 4.813 30 40 FJEB C=CCn1c(=N)n(C[C@@H](O)c2ccc(-c3ccccc3)cc2)c2ccccc21 20082441 CYLGNYPAHRKAGZ-HSZRJFAPSA-N 369.468 4.509 30 40 FJEB CC/N=C1/S/C(=C/c2cn([C@@H](C)CC)c3ccccc23)C(=O)N1CC 408931725 PKDDCEYHSBEGAU-GBYISLIISA-N 355.507 4.924 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(C)cc1 409257872 REMSOEUQYWIERS-UHFFFAOYSA-N 360.542 4.648 30 40 FJEB CSc1ccc(-c2ncnn2-c2sc3c(c2C#N)CCCCC3)cc1 1205424 NHJBUPXBQRKNOD-UHFFFAOYSA-N 366.515 4.858 30 40 FJEB N#CCCN(C(=O)c1ccccc1OCc1ccccc1)c1ccccc1F 3235300 KZTPXNYMHPJTQU-UHFFFAOYSA-N 374.415 4.965 30 40 FJEB CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 4116402 JBDGJSKLYGSPKG-HGRLKPHYSA-N 365.502 4.767 30 40 FJEB Cn1/c(=N/N=C/C(Br)=C/c2ccccc2)sc2ccccc21 5616184 FRPJWNUPWCSJTF-OWSYRICVSA-N 372.291 4.562 30 40 FJEB COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)ccc1OCC#N 6862875 XOHUYXRYQKZQKV-FNORWQNLSA-N 350.443 4.995 30 40 FJEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 7350140 FOMDJQLKTSTAMD-MDZDMXLPSA-N 359.347 4.728 30 40 FJEB CC(C)n1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409039953 RSOJVIKNHFMZNC-HCGXMYGOSA-N 369.284 4.936 30 40 FJEB O=C(O)c1cccc(/N=C/c2ccc(-c3sccc3[N+](=O)[O-])s2)c1 1816503 MODXJJWASITRDC-RQZCQDPDSA-N 358.400 4.834 30 40 FJEB CC(C)Oc1ccc(CN(CCC#N)C(=S)Nc2ccccc2)cc1 2282641 BPIUDRRFRBFBJX-UHFFFAOYSA-N 353.491 4.586 30 40 FJEB O=C1C[C@@H](c2ccccc2)C(C(=O)c2ccccc2)=C(c2ccccc2)N1 4267730 NROWHTNNHJQGLH-FQEVSTJZSA-N 353.421 4.584 30 40 FJEB biogenic Cc1cc(C)c2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2c1 4849192 IPMRMHBVWOBXRI-KBXCAEBGSA-N 367.518 4.510 30 40 FJEB O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1cc2ccccc2o1 11289524 KOHXTGCJMDQPSL-CMDGGOBGSA-N 359.303 4.830 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc3cccc4c3c2CC4)cc(OC)c1O 12949219 JTISZTMHHFCOLV-IZZDOVSWSA-N 360.409 4.557 30 40 FJEB N#Cc1c(Cl)nsc1NCc1ccc(-n2cnc3ccccc32)cc1 60874306 DHAJHMRKBOWRQW-UHFFFAOYSA-N 365.849 4.619 30 40 FJEB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@H](C)C1 225855460 AIOPKCIUQVFBCL-HTAPYJJXSA-N 372.509 4.907 30 40 FJEB Clc1ccc2nc(NN=Cc3cccs3)nc(-c3ccccc3)c2c1 239284694 BXHYZVHIJYOZPS-UHFFFAOYSA-N 364.861 5.458 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 408707409 AIKLJEREJKXZJP-UHFFFAOYSA-N 352.906 4.844 30 40 FJEB Cc1ccccc1-c1nc(C#N)c(NC[C@H](c2ccccc2)N2CCCC2)o1 1775976338 LKAKJSJMGUVOGD-OAQYLSRUSA-N 372.472 4.771 30 40 FJEB CCc1ccc(NC2=CC(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)cc1 4074982 LSUMEPOWVFYOCV-QGZVFWFLSA-N 351.446 4.709 30 40 FJEB CC(C)c1ccc(/C=N/Nc2nncn2/N=C/c2ccc(C(C)C)cc2)cc1 16575766 YPBXTTVFSTWWBA-SUQYBGNLSA-N 374.492 4.853 30 40 FJEB N#CCCN(C(=O)c1ccc(Cl)cc1F)C12CC3CC(CC(C3)C1)C2 95941679 MUWOLBCINNUGLI-UHFFFAOYSA-N 360.860 4.804 30 40 FJEB COc1ccccc1/N=C1/N=C(Nc2ccccc2OC)c2ccccc21 12653392 DIUZMLIFBMXIOD-UHFFFAOYSA-N 357.413 4.654 30 40 FJEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 253501279 QLMXZKMIBONXSF-SRCVIQECSA-N 354.490 4.926 30 40 FJEB C#CCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2n1CC 408692674 RYSPIWNXKJICIX-LFVJCYFKSA-N 368.440 4.667 30 40 FJEB N#Cc1nc([C@@H]2C[C@H]2c2cccc(F)c2)oc1N1CCc2ccccc2C1 1775975576 IVDHYFAIMAQJHI-RBUKOAKNSA-N 359.404 4.519 30 40 FJEB C=CCSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2 2229677 LILPSLUFKAFCQK-UHFFFAOYSA-N 366.530 4.966 30 40 FJEB biogenic C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 3044168 XGKQCPIEHGHZSS-GDNBJRDFSA-N 361.875 4.987 30 40 FJEB CCOc1ccc(/N=C2\NC(=O)/C(=C\C=C\c3ccccc3)S2)cc1 4159781 MAFGPPRZRYXBES-XICJKMHVSA-N 350.443 4.533 30 40 FJEB COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)[C@H](c3ccccc3)[C@H]1CC2 18181160 TUABOXZEXOEAHC-FCXKASHQSA-N 360.457 4.511 30 40 FJEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 18196731 GUWSBGIYJVXDDU-LJQANCHMSA-N 353.805 4.633 30 40 FJEB c1ccc([C@H]2C/C(=N/Nc3nncc4ccccc34)c3ccccc3O2)cc1 33044115 BJYJRGGQZWMCOO-IVYNLYIOSA-N 366.424 4.970 30 40 FJEB Cc1ccc(Cl)cc1N1CC[C@H](C/N=C(/O)c2oc(C3CC3)nc2C)C1 329774394 IOBIXQSYMNRCLX-CQSZACIVSA-N 373.884 4.653 30 40 FJEB CCOc1cccc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O 725451 NDBBSNVZHHNGKS-HZHRSRAPSA-N 360.413 4.794 30 40 FJEB CC(C)NC(=O)Oc1ccc(/C=N/Cc2cc(Cl)nc(Cl)c2)cc1 2556141 HNABYAZMMUKCLR-AWQFTUOYSA-N 366.248 4.504 30 40 FJEB Cc1cccc(S(=O)(=O)N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c1 3098754 HZBMGMXRKBSUSV-UHFFFAOYSA-N 373.518 4.652 30 40 FJEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN 4045706 YVRGGQGTYCXNRE-GWWHBBDRSA-N 359.510 4.623 30 40 FJEB biogenic N#C[C@H](C(=O)c1ccc(Br)cc1)c1nc2ccccc2s1 4069982 HUTXZSAOXVMLOO-GFCCVEGCSA-N 357.232 4.549 30 40 FJEB C=CCN(CC=C)C(=S)Nc1sc(-c2ccccc2)cc1C(=O)OC 13824228 HDFRKEIATAATEE-UHFFFAOYSA-N 372.515 4.573 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 408709259 QXRQIZJGQVOSJK-UHFFFAOYSA-N 362.514 4.669 30 40 FJEB N#Cc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)c2ccccc12 555274286 LKEFGUXCJHHXES-UHFFFAOYSA-N 363.380 4.608 30 40 FJEB Oc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)c(Cl)c1 6548955 MWPUKIUHLHEXGV-OEAKJJBVSA-N 366.848 4.786 30 40 FJEB C=CCNc1nnc(S[C@H](C)c2nc3ccccc3n2C(F)F)s1 8707841 OINMXBLAQWLRNU-SECBINFHSA-N 367.450 4.734 30 40 FJEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)cc1 12420271 YYCLMHUUFCLMSV-XKZIYDEJSA-N 358.393 4.890 30 40 FJEB biogenic CCc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 13628729 ZELGNNGESZGNHP-UNOMPAQXSA-N 350.414 4.817 30 40 FJEB Cc1cc(/C=N\c2ccc(O)c(C(=O)O)c2)c(C)n1-c1cccc(Cl)c1 15228988 SFKRFWHLEAQVMD-JJFYIABZSA-N 368.820 4.902 30 40 FJEB CC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccs2)cc1 18182066 IBZLXWNXPOWSHS-LSDHQDQOSA-N 360.438 4.558 30 40 FJEB Cc1ccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cn2)cc1C 409069761 WIIYNNNCZSJIGH-WYMPLXKRSA-N 358.367 4.954 30 40 FJEB COc1ccccc1Oc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 409071166 IHHHAUYYZUPQNT-FYJGNVAPSA-N 364.357 4.852 30 40 FJEB Cc1cccc(OCc2ccc(C(=O)Nc3sc(C)c(C)c3C#N)o2)c1 28231257 LFIUSIRRMHQLMP-UHFFFAOYSA-N 366.442 4.969 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(Nc2ccccc2C)=NC1=O 35644732 AIXYDVLZLONKMQ-QGOAFFKASA-N 350.443 4.642 30 40 FJEB CCOc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1 2368523 ITWFLWCHFPOCQY-UHFFFAOYSA-N 353.809 4.877 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21 4384980 KGWIFDJLPLEHJC-SFHVURJKSA-N 359.473 4.695 30 40 FJEB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C#N)C1 4628386 BEAHKPKMMJEUEF-IAOVAPTHSA-N 350.487 4.877 30 40 FJEB Cc1sc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C#N)c1C 5144833 WQGXWFYDVFJQCF-UHFFFAOYSA-N 360.438 4.720 30 40 FJEB O=[N+]([O-])c1ccccc1/N=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1 6344133 IQUCJGAGQIFPIJ-XQNSMLJCSA-N 370.412 4.960 30 40 FJEB CCc1c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)oc2ccccc12 7716404 JUFNFNAOYJMFQV-ZHACJKMWSA-N 366.413 4.917 30 40 FJEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)o1 13768813 CUOLDYHQDLEEOH-ODLFYWEKSA-N 364.328 4.563 30 40 FJEB COc1cc(/C=N\Nc2ccc(Br)cc2)cc(Cl)c1OC 30742590 AHIINNGCEVGAAY-NVMNQCDNSA-N 369.646 4.566 30 40 FJEB CCCCCCCCCCCCCCCCN1C[C@@H](O)C[C@@H]1C(=O)O 85911858 FDSLJAYOPNMZIY-VQTJNVASSA-N 355.563 4.988 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1(F)F 100045535 NGEYGRCDNBGSKG-DJFHCUHBSA-N 358.175 4.546 30 40 FJEB N#Cc1cnn2c1N=C1CCCC(O)=C1[C@@H]2c1ccc(Cl)c(Cl)c1 102830556 HHILDPGQPCANBJ-INIZCTEOSA-N 359.216 4.733 30 40 FJEB CC[C@]1(C)Cc2c(sc(NC(=S)Nc3ccccc3)c2C#N)CO1 2259079 DOZPUYQBCQXENP-GOSISDBHSA-N 357.504 4.670 30 40 FJEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCC/C1=C\c1cccc([N+](=O)[O-])c1 5249152 YXADDWKSFJIQJN-OTYYAQKOSA-N 364.357 4.723 30 40 FJEB Cc1c(C#N)c(NC(=O)CSc2ccccn2)n(C2CCCCC2)c1C 8487088 YPMIYLFQOVMFGI-UHFFFAOYSA-N 368.506 4.608 30 40 FJEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OC 9197136 FUOCIDCLMYSIRW-DNTJNYDQSA-N 373.667 4.788 30 40 FJEB CC(C)CCC[C@@H](C)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 9575238 QNRSRQHFEQLMHS-OAHLLOKOSA-N 369.534 4.537 30 40 FJEB COCc1cc(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N=[N+]=[N-])c12 15240219 OHDVOEHSMOYXIZ-UHFFFAOYSA-N 368.418 4.933 30 40 FJEB O=C(Nc1cccc2ccccc12)/C(O)=C/C(=O)c1ccc(Cl)cc1 16544900 PGHYKPPPXNNYRI-UNOMPAQXSA-N 351.789 4.757 30 40 FJEB CCOP(=O)(OCC)C(=NC(=O)OCc1ccccc1)C(F)(F)F 309965762 KUTBZBIAGSGSBU-UHFFFAOYSA-N 367.260 4.550 30 40 FJEB N#Cc1ccc(NC(=O)c2ncoc2-c2cccc(Cl)c2)cc1Cl 5002060 COAOOWCOYOSKHH-UHFFFAOYSA-N 358.184 4.772 30 40 FJEB CCc1ccccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 12553045 FSIXFJYKDPAGFZ-UHFFFAOYSA-N 353.491 4.502 30 40 FJEB COc1ccc(CN/N=C(\C)c2cc(C)c(OC(C)C)c(C)c2)cc1OC 20196779 QINOGGXWTFUQCO-JJIBRWJFSA-N 370.493 4.622 30 40 FJEB C=C(C)c1nc(C#N)c(N/N=C/c2ccc(OCCCCC)c(OC)c2)o1 27562492 GGZPENYQTDKEFE-LPYMAVHISA-N 368.437 4.603 30 40 FJEB CCCNc1c(N/C(O)=N/c2ccc(F)cc2F)c(=O)oc2ccccc12 28048808 TYNCRGSVWOSVJK-UHFFFAOYSA-N 373.359 4.551 30 40 FJEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/C[C@H]3C=CC[C@H]23)c1 59857759 OOLPSPFENZMUGE-FEIWMFEISA-N 359.804 4.597 30 40 FJEB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 79793615 PDVBJOFBNYIZJE-LMKQXYAQSA-N 356.506 4.862 30 40 FJEB biogenic Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3F)cc2)cc1 408811077 NKIMLXBJCWBEOO-OYKKKHCWSA-N 362.404 4.902 30 40 FJEB C[C@H]1Cc2cc(-c3ccc(CNCc4ccc(C#N)s4)cc3)ccc2O1 540810199 NSGQGPBPFWJBIW-HNNXBMFYSA-N 360.482 4.900 30 40 FJEB N#Cc1c(Nc2cccc(Cl)c2)sc(C(=O)c2ccc(F)cc2)c1N 658603 XEZQXOFOPVXCEQ-UHFFFAOYSA-N 371.824 4.969 30 40 FJEB N#Cc1ccc(-c2ccco2)nc1SCC(=O)c1ccc(Cl)cc1 1471736 ULPRZMLHHBSZMP-UHFFFAOYSA-N 354.818 4.842 30 40 FJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2c1 4849195 IPMRMHBVWOBXRI-KDOFPFPSSA-N 367.518 4.510 30 40 FJEB Fc1cccc(Cl)c1/C=N/Nc1ncnc2sc3c(c12)CCCC3 5519533 NYIHJOGPCWLRFQ-GZIVZEMBSA-N 360.845 4.809 30 40 FJEB COc1ccc(-c2nnc(SCCC#N)n2[C@H]2CCCC[C@H]2C)cc1 6974761 PASOOUJCAGJQIL-PBHICJAKSA-N 356.495 4.711 30 40 FJEB O=C(O)c1ccc(N/N=C/c2sc(Nc3ccccc3)nc2Cl)cc1 7890753 LFOKJFDLXKTEDN-VXLYETTFSA-N 372.837 4.684 30 40 FJEB COc1ccc(/C=N/OCc2ccccc2C#N)cc1OCc1ccccc1 15551940 JNWFNEHLCDJAQI-MFKUBSTISA-N 372.424 4.697 30 40 FJEB CCCCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 27663181 LGJSJVGLFBEICU-UHFFFAOYSA-N 354.475 4.930 30 40 FJEB CN1/C(=C\C(=O)C[n+]2cccc(-c3ccccc3)c2)C(C)(C)c2ccccc21 35606867 OZVIJCKHKMBCQH-JLPGSUDCSA-N 369.488 4.522 30 40 FJEB Cc1cc(C)c(C#N)c(SC[S@@](=O)c2ccc(C(C)(C)C)cc2)n1 4035526 RHHQRQUFFMNMCH-DEOSSOPVSA-N 358.532 4.725 30 40 FJEB COc1ccc(/C=N/Nc2cc(C)nc3ccc(Br)cc23)cc1 5215369 TXCOIOMQKZPPQM-RGVLZGJSSA-N 370.250 4.760 30 40 FJEB c1ccc(CC(Cc2ccccc2)=NNc2nncc3ccccc23)cc1 6287673 AFBUIHYKOJKSHZ-UHFFFAOYSA-N 352.441 4.883 30 40 FJEB COc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccccc2)cc1Cl 6414804 UXWFALGSFZTWBU-LBPRGKRZSA-N 370.865 4.600 30 40 FJEB N#Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 8187551 JLTGZFYDGUCRRN-DXRVJIQQSA-N 359.454 4.545 30 40 FJEB Cc1nc(NC(=O)c2ccc(Cl)cc2Cl)sc1SCC#N 44789140 QLQGVEDUMFWAJJ-UHFFFAOYSA-N 358.275 4.626 30 40 FJEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 408581595 JHKKPDPXCHWLPH-UHFFFAOYSA-N 365.216 4.525 30 40 FJEB Cc1ccc(/N=C/c2ccccc2OC(=O)c2ccccc2)cc1[N+](=O)[O-] 1431049 KVJJJQRQLILUGY-HYARGMPZSA-N 360.369 4.873 30 40 FJEB N#Cc1ccc(-c2ccco2)nc1SCC(=O)Nc1cccc(Cl)c1 12250974 KASPPTIWVLAGJY-UHFFFAOYSA-N 369.833 4.597 30 40 FJEB CCN1c2cc(C)c(/C=C3\S/C(=N\C)N(C)C3=O)cc2[C@H](C)CC1(C)C 208316646 PWPZPROLXSLUJB-HNLDYYEUSA-N 371.550 4.639 30 40 FJEB Cc1c(C(=O)NC2(c3ccc(F)cc3)CC2)sc2ccc(C#N)cc12 572383525 ADNRZMLVSGXTCO-UHFFFAOYSA-N 350.418 4.640 30 40 FJEB O=C(Nc1ccccc1)Nc1ccccc1NCC#CC#Cc1ccccc1 3765083 SYFFCYPJCGCAKB-UHFFFAOYSA-N 365.436 4.798 30 40 FJEB C=CCSc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 4384681 ZYEUPCKQYYYEFG-UHFFFAOYSA-N 357.504 4.677 30 40 FJEB C/C(=N\n1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(C)cc1 5329547 XDEXXXDLPPIXEU-KOEQRZSOSA-N 353.425 4.644 30 40 FJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1 5588515 HCTVOPQAZICJOP-GDNBJRDFSA-N 373.275 4.649 30 40 FJEB S=C(NN=Cc1ccccc1OCc1ccccc1)Nc1ccccc1 6257909 TXQHZARCRNLYJQ-UHFFFAOYSA-N 361.470 4.586 30 40 FJEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 8715797 HVYJNQHFBAFKGH-XCVCLJGOSA-N 353.219 4.531 30 40 FJEB CCCCCCCCOc1ccc(/C=C\C(C)=N\NC(=N)NC)cc1OC 104265825 LETGDTPRMOTUQV-HIPDHSLWSA-N 374.529 4.567 30 40 FJEB COc1ccc2ccccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575358293 FRXIINFIVXJBJK-UHFFFAOYSA-N 354.221 4.864 30 40 FJEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C#N)C1 2483689 MDRPQAVGUPHNIU-AWEZNQCLSA-N 353.491 4.808 30 40 FJEB Cc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1 4125288 NLSHRMNDXZQPTF-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB COc1ccc(-c2csc(/C(C#N)=N\Nc3cc(C)ccc3C)n2)cc1 4292774 AKGXJDKVRZYIPV-MOHJPFBDSA-N 362.458 4.775 30 40 FJEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 5376306 FSVIPTQSBHINEL-GDNBJRDFSA-N 362.376 4.905 30 40 FJEB CSc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6080144 NGXRMYLBZIHFIK-KRWDZBQOSA-N 372.877 4.573 30 40 FJEB Cn1c(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)nc2ccccc21 7343352 ZXAILTKGVQSLNQ-CIAFOILYSA-N 350.809 4.933 30 40 FJEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 11035930 BUPCELKTQPEPFZ-INIZCTEOSA-N 358.397 4.757 30 40 FJEB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc3c(cc2C#N)CCCC3)c1 95946840 MODFHCHPORDIJG-HNNXBMFYSA-N 365.502 4.568 30 40 FJEB CCOC(=O)c1c(N/C=C/C(=O)c2cccs2)sc2c1CCCC2 103791753 ZSTMHLQMNXRLGB-MDZDMXLPSA-N 361.488 4.674 30 40 FJEB CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1c(C)cccc1C 408907858 PLMMOODIVJBLTD-DLTWUOELSA-N 366.486 4.936 30 40 FJEB O=c1c2ccccc2nc(C2CCCCC2)n1N=C/C=C/c1ccccc1 409307949 VMJCETCLJORNHP-SFPPZFBDSA-N 357.457 4.992 30 40 FJEB CCc1cnccc1[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 540202849 MQXMRSNWHBJIOD-GOSISDBHSA-N 371.484 4.945 30 40 FJEB Cc1cc(C)c(O)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 1230408 AHYSLWQXEXSGGG-CNHKJKLMSA-N 354.631 4.881 30 40 FJEB COc1cc2cc(/C=C/C(=O)c3ccccc3)c(Cl)nc2cc1OC 4898679 VYUUJUPFSNIBEF-CMDGGOBGSA-N 353.805 4.802 30 40 FJEB CCn1nccc1C(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 6490111 XBKMNRFODCAAEO-QPJJXVBHSA-N 371.780 4.621 30 40 FJEB C=CCOc1ccccc1/C=C1\S/C(=N\c2cccc(C)c2C)NC1=O 8415214 FCRSYLRJRQUGSK-UYRXBGFRSA-N 364.470 4.760 30 40 FJEB N#Cc1cc(NC(=O)c2c(F)cccc2Cl)ccc1OCC(F)(F)F 40107892 PIUQPUYLPYZYFN-UHFFFAOYSA-N 372.705 4.544 30 40 FJEB CCCCCCCCc1cc[n+](C2=C(O)C(=O)c3ccccc3C2=O)cc1 104132036 JDGNCVRJCKJQIW-UHFFFAOYSA-O 364.465 4.683 30 40 FJEB O=C1ON=C(c2ccccc2)/C1=C\c1cccc(OCc2cccc(F)c2)c1 409085970 UDBPCUJSKKWXEY-KGENOOAVSA-N 373.383 4.749 30 40 FJEB N#Cc1nc([C@@H]2C[C@H]2c2cccc(F)c2)oc1NCCc1cccs1 1775976185 PFSKKUKUARRKAD-JKSUJKDBSA-N 353.422 4.673 30 40 FJEB CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 865524 LJCAQPIUWDBXLQ-ZICWZVMQSA-N 372.446 4.708 30 40 FJEB O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccc(F)cc1F 1079605 MOEJLAMXQFFKIC-ZDUSSCGKSA-N 359.397 4.554 30 40 FJEB N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)s1 4476397 IMVBMXSCTLLLQD-BJKRJEDCSA-N 370.905 4.934 30 40 FJEB CCOC(=O)/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(C)=O 5005432 VIOZQCFEGKCILB-LCYFTJDESA-N 353.201 4.789 30 40 FJEB N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccc(Cl)s2)c1N 36365043 MEJQCDBEOINDAY-UHFFFAOYSA-N 359.863 4.891 30 40 FJEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1oc2c(c1C)C(=O)CCC2 40130737 JHCNFBDITWADLW-UHFFFAOYSA-N 363.866 4.650 30 40 FJEB COc1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1 59249658 WZWPIQPYEXXSDB-DEDYPNTBSA-N 355.235 4.999 30 40 FJEB COc1cccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)c1 59461355 HTNUXXRIFPECBX-LNSJNNGNSA-N 352.415 4.886 30 40 FJEB N#Cc1ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103594332 CUMOMHXJLVWZTH-UHFFFAOYSA-N 365.195 4.795 30 40 FJEB C=CCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1 223474473 WBWJEIVROZFPKL-UHFFFAOYSA-N 365.857 4.916 30 40 FJEB N#CC[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 1396839 XKTISVZHSOOKRI-KRWDZBQOSA-N 359.351 4.750 30 40 FJEB COc1ccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1OC 1433513 QXFHEAFQBVFQSA-OEAKJJBVSA-N 357.413 4.998 30 40 FJEB CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 2766889 YGCNMJBCBRVSLX-UHFFFAOYSA-N 354.475 4.930 30 40 FJEB Cn1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)c2ccccc21 13804018 CNALDCYZRSSZCC-YVLHZVERSA-N 367.861 4.723 30 40 FJEB COc1ccc(/C(=N\c2ccccc2)NC(=S)Nc2ccccc2)cc1 16945056 HZERZOJQOXSUEZ-UHFFFAOYSA-N 361.470 4.760 30 40 FJEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(C)cc2)cc1 20761351 SYILPMPDOIVUDA-BUVRLJJBSA-N 360.457 4.706 30 40 FJEB CCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N/c1ccccc1 96609868 DVVXPLIYSCLIOV-HNPUNDFXSA-N 361.470 4.802 30 40 FJEB C/C(=N\OCc1cc(Cl)c2c(c1)OCCCO2)c1sc(C)nc1C 98054721 XUAVANBXAFWWGF-RGVLZGJSSA-N 366.870 4.515 30 40 FJEB N#Cc1ccc(-c2ccc(/C=N/c3ccc(C(=O)O)c(Cl)c3)o2)cc1 409019112 YNKLGMZOBJTLSK-SSDVNMTOSA-N 350.761 4.920 30 40 FJEB N#CC1(c2ccccc2)CCN(Cc2csc(C3CCCC3)n2)CC1 1888913496 KHPXHZPDMJQTJN-UHFFFAOYSA-N 351.519 4.858 30 40 FJEB O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(N2CCCCCC2)cc1 32639088 PKMCQLQGGZIGMU-VZUCSPMQSA-N 366.417 4.577 30 40 FJEB C[C@@H](NC/C(O)=N/C1(C#N)CCCCC1)c1ccc(Cl)cc1Cl 32832314 LMTODGSWFBBOBF-GFCCVEGCSA-N 354.281 4.827 30 40 FJEB CC/C(=N\NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(O)cc1 57556805 AETKTSZLSYSNCI-XSFVSMFZSA-N 368.289 4.800 30 40 FJEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc21 208205040 PVQKHFUEMDIYAU-HADWXUJASA-N 352.438 4.763 30 40 FJEB CN(C)c1ccc(-n2cccc2/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1 408949348 BGWHIJULLZNXFC-XKZIYDEJSA-N 367.836 4.646 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCCC4)n2)cc1 4224275 QLWBSRLZVKPIAL-UHFFFAOYSA-N 359.454 4.813 30 40 FJEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 5907608 FXXQGFUXDCGQMZ-BKUYFWCQSA-N 372.376 4.531 30 40 FJEB biogenic CC/N=C1\S/C(=C\c2cc(Cl)c(OCC)c(Cl)c2)C(=O)N1CC 59105183 CKFQWFGCVGANAI-WHMPXDRYSA-N 373.305 4.704 30 40 FJEB N#CCCSc1ccccc1NC(=O)Nc1ccccc1N1CCCC1 95944775 XBQGWGYJJMRJDX-UHFFFAOYSA-N 366.490 4.937 30 40 FJEB Cc1ccc(C)c2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)c(C#N)cc12 933893 QMVKRTIINCIVPF-RDTXWAMCSA-N 367.518 4.510 30 40 FJEB CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN3CCCCC3)CC[C@H]21 4027267 XPMGQNDZUDZVOU-UNWVZKJWSA-N 353.506 4.573 30 40 FJEB biogenic Cc1[nH]c2ccccc2c1/C=N/Nc1ncnc2sc3c(c12)CCCC3 4133006 PXGOXWFKJISRDU-AUEPDCJTSA-N 361.474 4.806 30 40 FJEB COc1ccc2oc(=O)c(-c3csc(N/N=C(\C)CC(C)C)n3)cc2c1 5726907 QMERJHJNBUXNIK-CIAFOILYSA-N 371.462 4.759 30 40 FJEB CCN(CC)c1ccc(/C=C2/CCC/C2=N\Nc2nc(C)cc(C)n2)cc1 33690719 CAJBRLGIXHQARR-OFNYKFNASA-N 363.509 4.975 30 40 FJEB N#Cc1ccccc1-c1ccc(CSc2nc(-c3cccnc3)n[nH]2)cc1 60531716 PXXKZEFSJJZTTC-UHFFFAOYSA-N 369.453 4.698 30 40 FJEB CCc1sc(NC(=O)CC#N)nc1-c1ccc(Cc2ccccc2)cc1 72333503 KLEJMUVAHIOOSP-UHFFFAOYSA-N 361.470 4.815 30 40 FJEB CCN(C(=O)C(F)(F)F)c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 226306999 SVDNTAAAVXOVNG-SNVBAGLBSA-N 358.429 4.686 30 40 FJEB C(#Cc1ccccc1)C[N+]1(CC#Cc2cccc3ccccc23)CCCC1 1828840 NDZGLESCGLENIS-UHFFFAOYSA-N 350.485 4.854 30 40 FJEB Oc1ccc(Br)cc1/C=N/c1ccc(OC(F)(F)F)cc1 2743161 WCEFUYHJDISPOI-UFWORHAWSA-N 360.129 4.804 30 40 FJEB N#C[C@@H]1c2ccccc2C=NN1C(=O)N(c1ccccc1)c1ccccc1 5160794 YFDGFNISEBMGNI-OAQYLSRUSA-N 352.397 4.859 30 40 FJEB O=C1CCCC2=C1C(c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 20026286 OGVSDRMDZZLUAJ-UHFFFAOYSA-N 362.256 4.694 30 40 FJEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3CC(C)C)cc1 20746088 WCKZPDLSBWYOMC-NVXWUHKLSA-N 366.461 4.948 30 40 FJEB N#Cc1cccc(Oc2cccc(C(=O)OCc3ccccc3F)c2)c1C#N 35141120 VGGKRWFTOSNELT-UHFFFAOYSA-N 372.355 4.718 30 40 FJEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN[C@H](C)CCc4ccco4)[C@H]3C[C@@H]12 248203830 YKAOGMQSLHIEKX-QYXOIYDBSA-N 371.521 4.505 30 40 FJEB CSc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc1 408750056 WWRBLSPBDPUEDS-OQLLNIDSSA-N 360.891 4.954 30 40 FJEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(C)C)cc3)S2)cc1 408757130 XETURFVCZQAVMH-UYRXBGFRSA-N 366.486 4.928 30 40 FJEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 1018543 QVGOZZPWBOZNKW-PDGQHHTCSA-N 352.459 4.625 30 40 FJEB C=CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(OCC)cc1 2143113 HWWBEKMHERJKDK-UHFFFAOYSA-N 372.515 4.741 30 40 FJEB CCc1c(C)sc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1C#N 2498154 XJIBGPSWCDGQEK-LBPRGKRZSA-N 371.506 4.882 30 40 FJEB C=CCSc1nc2ccccc2n1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 6419489 YUHPUBWVKXVPIL-ZHACJKMWSA-N 365.414 4.576 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C#N)cc(C)c2c1 6831472 ANVYNZDFDAXRNA-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB Cc1ccc(-c2c(C#N)c(S)nc(C)c2C(=O)Nc2ccccc2C)o1 13831691 FEXNLDWMLQGWHQ-UHFFFAOYSA-N 363.442 4.680 30 40 FJEB CN(C)[C@H](CNc1oc(C(C)(C)C)nc1C#N)c1ccc(C(C)(C)C)cc1 96346221 ALPUMYWLMZRDPA-GOSISDBHSA-N 368.525 4.856 30 40 FJEB C=CCN(CC=C)C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 104685427 TVEGGAOVRXDGLV-UHFFFAOYSA-N 374.469 4.602 30 40 FJEB C=C(C)COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219792299 LFEKGLVCCMTECF-FQEVSTJZSA-N 365.473 4.982 30 40 FJEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 6400880 XBMCUSMYNRSCMJ-INIZCTEOSA-N 358.397 4.757 30 40 FJEB N#Cc1cc([N+](=O)[O-])cnc1N[C@@H](c1ccccc1)c1ccc(Cl)cc1 32806394 BVJKAVWZGCPMIW-SFHVURJKSA-N 364.792 4.716 30 40 FJEB Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c(C)n1Cc1cccs1 48790167 SCTMOXXJIALDFX-KRWDZBQOSA-N 374.469 4.581 30 40 FJEB Cc1cccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)c1C 409209679 HSYFVUMZVSSYEM-JCMHNJIXSA-N 365.454 4.822 30 40 FJEB CCCOC(=O)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083809162 RHLNMPOGSARUOZ-UHFFFAOYSA-N 350.177 4.613 30 40 FJEB CCCN(CCC)c1ccc(/C=N/Nc2nncc(-c3ccccc3)n2)cc1 4477901 KUPBCNZYLBKGEW-XQNSMLJCSA-N 374.492 4.611 30 40 FJEB C=C[C@@H](C/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 5080643 PBVVVCSDMBFICK-ITRAFESCSA-N 354.366 4.651 30 40 FJEB CCCCCCCCOc1c(Br)cc(C(=O)O)cc1OC 59245848 TYOLZGAQDCNNNO-UHFFFAOYSA-N 359.260 4.895 30 40 FJEB CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(C#N)cc1)N2 100195651 OILWODRAFQCEER-IUCIOQMXSA-N 357.457 4.813 30 40 FJEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225043083 VUHNHCVYJOWEFV-UHFFFAOYSA-N 351.471 4.838 30 40 FJEB CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)c(C#N)c1 225852815 FLDRGPVVJFUIFW-UHFFFAOYSA-N 358.482 4.805 30 40 FJEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2CC(C)C)cc1 408912782 LUCMTNICYRHRLO-FOLIBTTPSA-N 366.486 4.961 30 40 FJEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)O 409212436 MGEUGUIDQCSOFP-DNTJNYDQSA-N 368.216 4.524 30 40 FJEB Cc1ccc(N/C(S)=C(\C(=O)c2cccs2)[n+]2ccccc2)cc1C 3379287 KXGREBHXLZLNTB-UHFFFAOYSA-O 367.519 4.703 30 40 FJEB CCCCOc1ccc2ccccc2c1/C=N/n1c(S)nnc1C(C)C 5010869 KHQZFNMNRQWYIB-FYJGNVAPSA-N 368.506 4.905 30 40 FJEB N#Cc1ccc([C@@H]2CC=CS2)nc1S[C@H](C(=O)O)c1ccccc1 6757155 VQLIGSDFPVUZIU-HOTGVXAUSA-N 354.456 4.563 30 40 FJEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc21 208205002 PVQKHFUEMDIYAU-CNRHGSOZSA-N 352.438 4.763 30 40 FJEB Cc1cccc2c(/C=N\Nc3c(F)c(F)c(F)c(F)c3F)c(C)n(C)c12 409042849 DAMUBQTZLBGTGQ-VAPIAZESSA-N 367.321 4.937 30 40 FJEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 409237762 LOBMUUDRFHNTNZ-FYJGNVAPSA-N 373.840 4.998 30 40 FJEB COc1cccc(/C=N\c2cccc(Cl)c2Cl)c1O[C@H](C)C(=O)O 409251789 WEYOZTQRBVKUFR-ZHLXBYETSA-N 368.216 4.605 30 40 FJEB COC(=O)c1cc(-c2ccc(/C=N/Nc3ccccc3)o2)ccc1Cl 409268738 YJSNIJHLMZAVKH-CIAFOILYSA-N 354.793 4.833 30 40 FJEB C[C@H]1C[C@@H](C)CN([C@H](C)CNc2oc(-c3ccc(Cl)cc3)nc2C#N)C1 1775965133 VPZWYPXRNUGSRE-QLFBSQMISA-N 372.900 4.645 30 40 FJEB CCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O 2304387 KFGYIMDRBXRGCJ-BUDGLOEYSA-N 371.531 4.691 30 40 FJEB COc1ccc(-c2cc(-c3ccccc3)nc(SCC#N)c2C#N)cc1 3077564 ZOXOYIBOIAARJQ-UHFFFAOYSA-N 357.438 4.912 30 40 FJEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCCCC2)c1ccc(Cl)cc1 17146139 FTLXTLDCQSEFAF-UHFFFAOYSA-N 365.884 4.705 30 40 FJEB C/C(=N\CCCC/N=C(\C)c1cc(C)ccc1O)c1cc(C)ccc1O 104234052 JKCRBGNKFQPQJE-GJHDBBOXSA-N 352.478 4.813 30 40 FJEB C=CCOc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1 225545139 JFKUMOVWMXKZJU-UHFFFAOYSA-N 360.910 4.824 30 40 FJEB Cc1ccc(-c2ccc(/C=N/c3ccc(C(=O)O)cc3)o2)cc1[N+](=O)[O-] 408911584 OAZFAAFDKSOPOX-RGVLZGJSSA-N 350.330 4.612 30 40 FJEB C#CCOc1c(Cl)cc(/C=C2\C(=O)N(CC)c3ccccc32)cc1Cl 409121590 YQVXAJCHDJFVMA-GDNBJRDFSA-N 372.251 4.913 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2c1C 4849113 VHVYAOYXVGMZTR-KBXCAEBGSA-N 367.518 4.510 30 40 FJEB N#Cc1cccc(CSc2nccn2-c2ccc(Br)cc2)c1 10886624 YQRZSFKGEZZWMK-UHFFFAOYSA-N 370.275 4.799 30 40 FJEB C=CCc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCCC3)c1O 11613933 HXMCQJORGTYURN-SRZZPIQSSA-N 367.430 4.591 30 40 FJEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224899972 DVCHIHQDGSDPGS-INIZCTEOSA-N 351.446 4.536 30 40 FJEB CC(C)C[C@H]1C/C(=N\O)c2cc(-c3ccc(Br)cc3)nnc2C1 5188590 FFJOSDDJTPBMON-JZECQHRXSA-N 374.282 4.693 30 40 FJEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 5551674 WYRHWDTYKQCZRT-WJDWOHSUSA-N 358.850 4.630 30 40 FJEB CC(C)(C)OC(=O)N1CC[C@H](C(C#N)(c2ccccc2)c2ccccc2)C1 35644010 VPWJEZHVOGYEQA-FQEVSTJZSA-N 362.473 4.753 30 40 FJEB in-vitro Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)c1 59459422 QDVZJCIHSYGDKP-SXGWCWSVSA-N 358.850 4.554 30 40 FJEB Cc1cccc(C)c1NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 95117280 FUFGSHKQYLUNHR-SFHVURJKSA-N 372.468 4.526 30 40 FJEB O=C(O)c1cccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1 408932191 USMZZKZCUBATBK-FSJBWODESA-N 358.319 4.945 30 40 FJEB N#Cc1cc(-c2ccccc2)cn(Cc2c(Cl)cccc2Cl)c1=O 1391848 BTWTVDCLIHVMOE-UHFFFAOYSA-N 355.224 4.742 30 40 FJEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccc(C)c1 2450570 YDISLLCOAJUAPO-UHFFFAOYSA-N 367.449 4.554 30 40 FJEB Cc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1 4849146 BKJWJNITLVKMDK-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)c1 5164909 LDSIZGOTALLDJD-UUYOSTAYSA-N 357.409 4.894 30 40 FJEB COc1ccc2c(C)cc(N/N=C(/c3ccccc3)c3ccccn3)nc2c1 5392981 CISFVSGQDKSSRY-VYIQYICTSA-N 368.440 4.811 30 40 FJEB Cc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 12555579 UZQYIDGIXFIGQB-CQSZACIVSA-N 353.491 4.636 30 40 FJEB Cc1cccc(C)c1/N=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 13107529 XQNGGTHDAFDFAQ-WYMPLXKRSA-N 354.413 4.741 30 40 FJEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1sccc1C#N 14252129 SIFSRBOJYHPNSC-UHFFFAOYSA-N 361.451 4.895 30 40 FJEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(NC(C)=O)cc1 16711452 WSLHFAQQHMYLCE-LNVKXUELSA-N 363.486 4.902 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1OC 218656784 HISJNNJEIOBISO-UHFFFAOYSA-N 351.446 4.997 30 40 FJEB C=CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 219642810 TWLACZHDHCOSNW-IBGZPJMESA-N 351.446 4.592 30 40 FJEB CC[C@@H](C)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1 409018589 XGJQEOMNGRIXGG-RHJMSYDWSA-N 355.434 4.811 30 40 FJEB CN(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 709481 BVVGOZXCCSHYKV-DEOSSOPVSA-N 369.468 4.974 30 40 FJEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4216262 GACKBTMUYYITHY-BQPCAVHVSA-N 362.485 4.788 30 40 FJEB biogenic,in-vitro CCN(Cc1ccccc1)c1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1 4866998 VWBTUBLQRCFERR-HZHRSRAPSA-N 359.477 4.566 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1 5931977 GUJGKDTYFVWOMU-QGOAFFKASA-N 350.443 4.642 30 40 FJEB N#Cc1c(COC(=O)c2ccc(-c3ccccc3F)o2)cn2ccccc12 14853221 QLZVMNBFZNKNJO-UHFFFAOYSA-N 360.344 4.567 30 40 FJEB Cc1csc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)n1 32777132 JLJRHIBYFLPMPV-CYBMUJFWSA-N 371.512 4.544 30 40 FJEB Cc1noc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCCC2 35671445 FVSOZMQYBVPTPV-UHFFFAOYSA-N 363.442 4.714 30 40 FJEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(C)cc2)cc1 58872343 FSUFARKHDRZWEN-IWIPYMOSSA-N 374.440 4.772 30 40 FJEB CCCCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccco2)cc1 101662546 CVQQQYTVCHYUGZ-CYVLTUHYSA-N 353.418 4.973 30 40 FJEB C=CCSc1nnc(NC(=O)CCc2ccc(Cl)c(Cl)c2)s1 225341574 USFZWVPNISANRP-UHFFFAOYSA-N 374.318 4.694 30 40 FJEB CCOc1cccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c1 408870929 XXNIYRSHQKOAIJ-YVLHZVERSA-N 372.877 4.939 30 40 FJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 2063655 MPHPZHUOAFGYAJ-LJQANCHMSA-N 373.880 4.651 30 40 FJEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 5444122 WOCWNBLCPAYTAF-GOSISDBHSA-N 369.848 4.574 30 40 FJEB O=C1N/C(=N/c2cccc(Cl)c2)S/C1=C\c1ccc(O)c(Cl)c1 15015830 TZWQLADMCMLWSV-AUWJEWJLSA-N 365.241 4.591 30 40 FJEB N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccccc3)cc1)CCCC2 35298239 XXOFGDAEZPVMNP-UHFFFAOYSA-N 355.441 4.660 30 40 FJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(O)c3)c2C)cc1 100212095 RGZSGFRXCRFKMA-OEAKJJBVSA-N 362.429 4.727 30 40 FJEB CCCCCCCCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1 408540911 WXKYYARBXGSMJD-NBVRZTHBSA-N 374.506 4.532 30 40 FJEB COc1ccc2c(c1)-c1nc(/N=C/c3ccccc3OC)sc1CC2 408722102 DQQWOZLANPWKIC-CIAFOILYSA-N 350.443 4.677 30 40 FJEB N#Cc1c(/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 1310462 YENCSGKYUOYTOE-CIAFOILYSA-N 362.414 4.558 30 40 FJEB N#C[C@H](C(=O)c1cccs1)c1nc2ccc(C(F)(F)F)cc2s1 3268662 ZFVOFZHEUGHLIZ-SECBINFHSA-N 352.362 4.867 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@@H]2c1ccccc1 4180856 LVAPHSMCGXPXPD-HXUWFJFHSA-N 370.456 4.603 30 40 FJEB Cc1cc(Cl)ccc1OCc1nnc(SCc2ccccc2C#N)o1 7604784 GLWSLAQWNXYHEB-UHFFFAOYSA-N 371.849 4.774 30 40 FJEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3ccc(C)c(C)c32)cc1 46084676 CIXKCLZGCKMXDT-ATJXCDBQSA-N 366.461 4.598 30 40 FJEB N#Cc1cn(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc12 51319154 CCZUMVRXSVLNLD-UHFFFAOYSA-N 367.408 4.944 30 40 FJEB C[C@@H](c1ccccn1)N(C)Cc1cccc(OCc2ccccc2C#N)c1 96003600 YJGBRPGAQBAIFW-SFHVURJKSA-N 357.457 4.725 30 40 FJEB Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c(C)c([N+](=O)[O-])c1 408718395 WSSZJPJGYFEUAB-UHFFFAOYSA-N 373.364 4.934 30 40 FJEB CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1c(C)cccc1C 408908258 QTZLRLLQSPNFPI-MSYUKONTSA-N 352.459 4.633 30 40 FJEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(C)C1=O 409106702 SSTUUHNCTCMPDQ-SCWWSTLWSA-N 372.877 4.973 30 40 FJEB COc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C 575242639 BRIJKNXTFWXNHY-UHFFFAOYSA-N 368.195 4.655 30 40 FJEB Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(Cl)cc2Cl)n1 1297684 MBWKJWHSHBTSGC-UHFFFAOYSA-N 351.258 4.852 30 40 FJEB COc1ccc2oc(=O)c(-c3cnc(N/N=C(/C)CC(C)C)s3)cc2c1 4537161 IYCWBKLVGNTNSV-MTJSOVHGSA-N 371.462 4.759 30 40 FJEB CC(C)(C)C1=CC(=CC=C2C=CN(CCO)C=C2)C=C(C(C)(C)C)C1=O 5713647 JRCBAUJFICXBNQ-UHFFFAOYSA-N 353.506 4.702 30 40 FJEB C=CCSc1nnc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)s1 6589542 FSTJUOVSWCKDIE-CYBMUJFWSA-N 367.927 4.848 30 40 FJEB C=CCSc1ccccc1NC(=O)CN(C)[C@H]1CCc2ccccc21 29487394 ZAYIECMNEXXRPQ-IBGZPJMESA-N 352.503 4.523 30 40 FJEB Oc1cc(Br)ccc1/C=N/c1ccc(N2CCCCC2)cc1 101651844 USJAQHQDLYPMHB-DEDYPNTBSA-N 359.267 4.896 30 40 FJEB Cc1cccc2c1/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C2 104160925 PIEYZMIRGFSWBW-PGMHBOJBSA-N 368.393 4.600 30 40 FJEB COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N 225761278 PSJRYCLKGYNEBV-UHFFFAOYSA-N 352.409 4.547 30 40 FJEB COc1ccc(/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 409218118 SRUCMBFWZSDWKR-BUVRLJJBSA-N 374.440 4.772 30 40 FJEB C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2ccc(C)cc2)cc1 1097674 UFEFJNGZQMUDIV-UHFFFAOYSA-N 366.486 4.585 30 40 FJEB CCN(CC)c1ccc(/C=N/N=C/c2ccc(N(CC)CC)cc2)cc1 3180591 LKNAOEKIUMUWHF-GJHDBBOXSA-N 350.510 4.832 30 40 FJEB COc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)N=C2O)cc1OC 9087127 DYPICLQJQHHBII-GZTJUZNOSA-N 354.431 4.744 30 40 FJEB Cc1ccsc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 12463228 YEMTVMBSMHAQPT-JLPGSUDCSA-N 373.525 4.778 30 40 FJEB Cc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)o1 45615881 LLBBFBFFTIWZPU-CMDGGOBGSA-N 358.800 4.830 30 40 FJEB COc1cc(-c2ccccc2)ccc1CN(CCC#N)Cc1cccnc1 96004844 ZJPINCUBQCFKAG-UHFFFAOYSA-N 357.457 4.673 30 40 FJEB N#Cc1c(-c2ccc(OCc3ccc(F)cc3)cc2)c2c([nH]c1=N)CCCC2 408982692 YQIQAHGUEAUYTE-UHFFFAOYSA-N 373.431 4.630 30 40 FJEB CCc1cnccc1[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 540202855 MQXMRSNWHBJIOD-SFHVURJKSA-N 371.484 4.945 30 40 FJEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(C(=O)OCC(C)C)cc1)C2 702389 PIEDCAONCSKOEF-VGOFRKELSA-N 355.478 4.820 30 40 FJEB CCOc1cccc(-c2nnc(S)n2/N=C/C(C)=C/c2ccccc2)c1 5960213 PIPQOQNQDMNPSU-XBPMTVKWSA-N 364.474 4.570 30 40 FJEB COc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1 13381832 XQZVHESVZCKBJB-XZBCAAGCSA-N 364.533 4.802 30 40 FJEB COc1ccc(-c2noc(SCC#Cc3ccc(Cl)cc3)n2)cc1 25185552 BJMRECXXDZHWPM-UHFFFAOYSA-N 356.834 4.542 30 40 FJEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)cc3)cc2)cc1 100362470 IMOVFKISZRMUIX-IWIPYMOSSA-N 374.440 4.772 30 40 FJEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 408534581 TUAZOZKKYUHMTB-PDGQHHTCSA-N 369.417 4.627 30 40 FJEB CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1 408866442 FVDSJDJFULTTMR-YVLHZVERSA-N 372.877 4.939 30 40 FJEB C[C@@H](C#N)OC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl 2655447 MLCCSAUSWFEGBJ-NSHDSACASA-N 350.201 4.641 30 40 FJEB O=C(O)c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 4478072 OWUDGUNBNDBXHA-RGVLZGJSSA-N 363.398 4.701 30 40 FJEB N#Cc1c(-c2ccccc2F)cc(-c2ccccc2)nc1SCC(=O)O 5338505 QTWIXKGJOJIQTB-UHFFFAOYSA-N 364.401 4.603 30 40 FJEB C=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(OC)cc1 5830914 QCQBUCPTUMULHD-UHFFFAOYSA-N 374.525 4.837 30 40 FJEB CCOc1ccccc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 9303067 QIJADMHTNISVGF-UNOMPAQXSA-N 366.413 4.653 30 40 FJEB COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccccc3)c2)cc1 16405443 HWUNHRCIFLKIEH-XNTDXEJSSA-N 357.409 4.844 30 40 FJEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)c1cc3c(cc1N2)OCO3 18196734 MSRPFEOWXQECKG-LJQANCHMSA-N 353.805 4.633 30 40 FJEB CCOc1cc(-c2c(C#N)c(N)nc(-c3ccccc3)c2CC)ccc1O 19848275 ZOEUNQZBJHQNCO-UHFFFAOYSA-N 359.429 4.536 30 40 FJEB CCc1nc(C#N)c(N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)o1 26841333 OCPJHDFSXFCQHW-AUEPDCJTSA-N 374.322 4.833 30 40 FJEB CC(C)c1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 28284486 FXMVRABDIRCHJF-UHFFFAOYSA-N 354.475 4.639 30 40 FJEB CCCCCCCCCCCCNC(=S)N(CCC#N)CCC#N 100933980 ABMBLQVZBQAMQS-UHFFFAOYSA-N 350.576 4.911 30 40 FJEB C=CCOc1cccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c1 409331195 MODZWMMHMRDUCN-XDJHFCHBSA-N 365.454 4.530 30 40 FJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(F)cc2)cc1 4526640 OMETVNRHDMJBAM-HMAPJEAMSA-N 368.433 4.686 30 40 FJEB N#Cc1ccccc1OCC(=O)OCc1sc2ccccc2c1Cl 12884745 OPJVZEHCMPJTPG-UHFFFAOYSA-N 357.818 4.549 30 40 FJEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1sccc1C)C2=O 20650574 DOVDJUQTRQGIHK-BOPFTXTBSA-N 357.475 4.610 30 40 FJEB C[N+](C)=C/N=C(\Nc1ccccc1)SCc1c(Cl)cccc1Cl 95691964 ASRKZOUNGQQGMC-UHFFFAOYSA-O 367.325 4.995 30 40 FJEB CCCCCCCN1C(=O)/C(=C2/SC(=S)N=C2O)c2ccccc21 97946062 IXVACPKTPLOQRN-CCEZHUSRSA-N 360.504 4.703 30 40 FJEB C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCc1ccccc1 217764922 VKPRZPUDSATFGP-UHFFFAOYSA-N 363.457 4.934 30 40 FJEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cccn1-c1ccc(Cl)cc1 408808249 DRTLMHXDDSDTTK-NDENLUEZSA-N 355.781 4.798 30 40 FJEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc21 1054091 UTJILLFNESOJAY-CIAFOILYSA-N 359.341 4.703 30 40 FJEB COc1cc(OC)c(/N=C/c2cc(Br)ccc2O)cc1Cl 5288594 GDZGWYHYTADWGH-QGMBQPNBSA-N 370.630 4.576 30 40 FJEB CCOc1cc(C#N)cc(Br)c1OCc1ccccc1Cl 5953446 XWLBAQVCGSQXRI-UHFFFAOYSA-N 366.642 4.952 30 40 FJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 9329631 MAGCJYFCNQRNLH-GOSISDBHSA-N 369.848 4.718 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 11915800 STJCWBOCDUSCCS-UHFFFAOYSA-N 362.404 4.633 30 40 FJEB CN(C)[C@@H](CNc1oc(-c2cccs2)nc1C#N)c1ccccc1Cl 27990995 HXIDNMWZSZGQRP-HNNXBMFYSA-N 372.881 4.643 30 40 FJEB CC[C@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1ccc(C)nc1 32895854 DXCPRQCZALSZMQ-XMMQZVGTSA-N 359.882 4.699 30 40 FJEB C=CCOC(=O)c1ccc(OCc2ccccc2F)c(Br)c1 216818261 WYQOCWGRDXYCDF-UHFFFAOYSA-N 365.198 4.510 30 40 FJEB N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 5477784 QDHLIXZMTXHRFF-UHFFFAOYSA-N 372.453 4.750 30 40 FJEB COc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 8116663 ATXDHUYFUXGILU-HYARGMPZSA-N 362.385 4.933 30 40 FJEB Cc1c(Cl)cccc1/N=C(\S)NC1CCN(Cc2ccccc2)CC1 8693985 WGDSAFOTCQLQRE-UHFFFAOYSA-N 373.953 4.820 30 40 FJEB Cc1ccc(S(=O)(=O)O[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 16955192 NRWHJFWWNZKIII-CQSZACIVSA-N 364.772 4.657 30 40 FJEB Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)o1 58174614 ZIPBTCLQCRFMNR-UHFFFAOYSA-N 360.413 4.794 30 40 FJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 102595372 CXAVCPHROGWCKF-YDJIHCHBSA-N 363.457 4.689 30 40 FJEB C=CCOc1ccc([C@@H]2Nc3c(C(=O)OC)cccc3[C@@H]3C=CC[C@@H]32)cc1 408736432 SMQQJLCKESIYGZ-LQWHRVPQSA-N 361.441 4.865 30 40 FJEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/N(c1ccccc1)c1ccccc1 408742244 VNRHUZXWSNMTGK-ZRZWOPFXSA-N 368.440 4.849 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(Cl)cc1Cl 409032012 HVNRUIZNJIPTFF-YQLNASGTSA-N 357.056 4.707 30 40 FJEB CCCC(=O)N1c2ccccc2S[C@H]1CC(=O)/C=C/c1ccccc1 2049251906 JFOTUZJNOQGGPO-ARKBFRDHSA-N 351.471 4.924 30 40 FJEB Cc1ccc(NC(=O)[C@@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)cc1 883030 HSRXIGJKOZMDIV-QGZVFWFLSA-N 363.848 4.826 30 40 FJEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NCc1ccc(F)cc1 4167981 IGDRPMNSTKLXKM-UHFFFAOYSA-N 357.772 4.530 30 40 FJEB COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc(Br)c1O 4922609 LEYJGBKOWUMUAY-QGMBQPNBSA-N 369.646 4.571 30 40 FJEB Cc1ccc(S(=O)(=O)NN=C2CCCCCCCCCCC2)cc1 5218154 LZGAEDSSYGTHLW-UHFFFAOYSA-N 350.528 4.934 30 40 FJEB Cc1cccc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C2 5328357 PIEYZMIRGFSWBW-LTGZKZEYSA-N 368.393 4.600 30 40 FJEB N#Cc1c(NC(=O)CC2(CC(=O)O)CCCCC2)sc2c1CCCCC2 24151200 WAGIPMPNWJLQAJ-UHFFFAOYSA-N 374.506 4.642 30 40 FJEB C=CCn1c(SCc2coc(-c3ccc(C)cc3C)n2)nnc1C1CC1 48314959 IQWMXRITMOMOMW-UHFFFAOYSA-N 366.490 4.906 30 40 FJEB CCCCCCCCCCCCCCCCN1C[C@@H](O)C[C@H]1C(=O)O 71788291 FDSLJAYOPNMZIY-PMACEKPBSA-N 355.563 4.988 30 40 FJEB COc1ccc(/N=C(\c2ccccc2)C2C(=O)c3ccccc3C2=O)cc1 104223460 URCSFONMRRNPNI-DARPEHSRSA-N 355.393 4.511 30 40 FJEB C[C@H]1CCCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)C1 225866182 VDDHUCLTABEBJW-LBPRGKRZSA-N 363.292 4.533 30 40 FJEB CCOc1ccccc1/C=C1\SC(=Nc2cccc(C)c2C)NC1=O 408992971 VHXLPAHGDOOPJU-PDGQHHTCSA-N 352.459 4.594 30 40 FJEB C=CCNC(=O)/C=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1 4105302 VKXXOBKPLIYFLD-DHZHZOJOSA-N 361.363 4.600 30 40 FJEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 6400854 RUQZMKPBBKAHSA-SNVBAGLBSA-N 368.742 4.636 30 40 FJEB CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OCC 113512981 STQVEMJKKQYNQQ-JCZXBPPFSA-N 364.526 4.759 30 40 FJEB N#Cc1c(Cc2ccc(Cl)cc2)nn(Cc2cccc3ccccc23)c1N 225848691 DVVZVEMPAONWBJ-UHFFFAOYSA-N 372.859 4.783 30 40 FJEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 408703818 YINRVGCMNRHMEC-HNNXBMFYSA-N 359.853 4.928 30 40 FJEB Cc1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Cl 409011788 HREDJSSJHXWXIX-UDWIEESQSA-N 354.797 4.793 30 40 FJEB Oc1ccc2ccccc2c1/C=N/N=C/c1ccc(Br)cc1 4705077 OHNLBKZZWURLEW-HGEIODPWSA-N 353.219 4.761 30 40 FJEB Clc1ccc(Cn2cccc2/C=N/N=c2/[nH]c3ccccc3s2)cc1 5070316 SHQRFQITURZQSG-CIAFOILYSA-N 366.877 4.667 30 40 FJEB Cc1ccc(C)c(S(=O)(=O)/N=C(/Nc2ccccc2)c2ccccc2)c1 5172946 ADSSMDPEGNXFCG-UHFFFAOYSA-N 364.470 4.551 30 40 FJEB C=C(C)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 12878088 ORTVGEAFTVKRGJ-MFLNWZAWSA-N 360.409 4.965 30 40 FJEB biogenic CCCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccccc1 17073067 QZSCFBFGVKUVRA-HOOMGSECSA-N 352.459 4.709 30 40 FJEB COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc(N)c2C#N)cc1OC 19214345 LQIBREYXWZUAHZ-UHFFFAOYSA-N 359.429 4.504 30 40 FJEB CCOc1cc(/C=C2\CCCC/C(=C(/O)C(F)(F)F)C2=O)ccc1O 408563972 TUOPZATWFARGQO-XTPUDKEYSA-N 356.340 4.692 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(Cl)c(Cl)c1 409031001 GEXDWUSVDQNZBX-YQLNASGTSA-N 357.056 4.707 30 40 FJEB CCCCCCCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 1505840599 XLMOJUXUDFOOAN-OAQYLSRUSA-N 367.489 4.625 30 40 FJEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 12751262 ZBYUVBKJSUBVMH-QGZVFWFLSA-N 372.424 4.543 30 40 FJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccccc2)cc1 17429140 WFDJKPVNICFGDL-RCCKNPSSSA-N 350.443 4.546 30 40 FJEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2ncc(C(C)(C)C)o2)n1 48364943 VXTRUCPQHVGJLZ-UHFFFAOYSA-N 355.385 4.858 30 40 FJEB CCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1 59103787 JPKVAWRTVQARDX-UHFFFAOYSA-N 362.514 4.671 30 40 FJEB CC1(C)[C@@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@]1(C)/C(=N/O)C2 100867675 FEVRAXSZZSFJDH-KSZYVRDXSA-N 355.265 4.979 30 40 FJEB CCn1cccc1/C=C1\SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O 408938792 SGPHRRKQTKQQGZ-ZROIWOOFSA-N 366.273 4.706 30 40 FJEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408949892 SOIWRUSXCUXWHB-WSDLNYQXSA-N 367.836 4.892 30 40 FJEB O=C1ON=C(c2ccccc2)/C1=C\c1cccc(OCc2ccccc2F)c1 409081713 KTXKPCNDLZWNBL-XSFVSMFZSA-N 373.383 4.749 30 40 FJEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 1799502 KZGFBKBYFVHSFY-GHRIWEEISA-N 353.468 4.657 30 40 FJEB C=C(CSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1)OCC 54361223 KFGUHMZXNXXVFN-UHFFFAOYSA-N 367.474 4.585 30 40 FJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 102595378 CXAVCPHROGWCKF-NHFXJNLRSA-N 363.457 4.689 30 40 FJEB C=CCNC(=O)C1(Cc2ccc(-c3ccc(C)cc3C)cc2)CCOCC1 257252845 JWHXGHJKXNEXCL-UHFFFAOYSA-N 363.501 4.612 30 40 FJEB CCn1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c1C 409064501 PQSKHRNNRPRODB-YVLHZVERSA-N 373.909 4.978 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O 409097106 MLGRSQADZXMYEU-GZTJUZNOSA-N 372.877 4.970 30 40 FJEB C=CCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 1188160 UBOCSQNBSIPXHK-LGMDPLHJSA-N 353.468 4.866 30 40 FJEB Cc1ccc(S(=O)(=O)O[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 1726707 NRWHJFWWNZKIII-AWEZNQCLSA-N 364.772 4.657 30 40 FJEB Cc1ccc(-c2nnc(S)n2/N=C\c2c(Cl)cccc2Cl)cc1 6032836 JFJAJMZKUPRYET-OCKHKDLRSA-N 363.273 4.731 30 40 FJEB CCCOc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c(O)c1 6138778 KQPKTBCXNJXVTE-GZIVZEMBSA-N 373.762 4.694 30 40 FJEB O=C(Nc1nc2ccccc2s1)c1ccc(C#Cc2ccccc2)cc1 12822139 UDLZIFFBUXKZKD-UHFFFAOYSA-N 354.434 4.948 30 40 FJEB CCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc1 15228816 KLSDDOHWDSETKI-AQTBWJFISA-N 352.459 4.675 30 40 FJEB C=CCn1c(SCc2cccc(C)c2)nc2c([nH]c3ccccc32)c1=O 17123015 PRVJKEUYDHANSJ-UHFFFAOYSA-N 361.470 4.665 30 40 FJEB Fc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682263 KVBPIEMYTZGDOT-YZSQISJMSA-N 371.459 4.547 30 40 FJEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 20624374 NEAFYMBJNVHXRD-WQRHYEAKSA-N 357.837 4.504 30 40 FJEB N#Cc1ccc(NC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 40151601 AURAWVIYBJFRBF-HXUWFJFHSA-N 359.454 4.799 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2ccc(Br)c(C)c2)cc1 51318895 GAOBCADEWYZLKG-ZHACJKMWSA-N 360.251 4.965 30 40 FJEB CC[C@@H](C)OC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795803 RIFWRTXGEWCLSR-ZCFIWIBFSA-N 364.204 4.796 30 40 FJEB C=CCSc1ccccc1C(=O)NCc1ccc(OC(C)C)c(OC)c1 219810851 ISFMJCIRSFKTSR-UHFFFAOYSA-N 371.502 4.691 30 40 FJEB O=C1Nc2c(cccc2C(F)(F)F)/C1=N/Nc1cccc(Cl)c1Cl 223743114 AIROILAPOOHKBN-UHFFFAOYSA-N 374.149 4.781 30 40 FJEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2O)C(=O)N1CC 408916433 XLHZFYPBKQFGTK-BIXZQSIESA-N 352.459 4.579 30 40 FJEB COc1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408960595 NCNYMYQFLNHEGD-UCQKPKSFSA-N 361.397 4.723 30 40 FJEB Cc1ccc(Cl)cc1-c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])o1 409104582 JWPRMCMJKPAYGZ-KEBDBYFISA-N 356.769 4.658 30 40 FJEB COC(=O)c1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 864833 NVTCZXFMYOABSY-YDZHTSKRSA-N 372.380 4.738 30 40 FJEB CCCCN1C(=O)c2cccc3c(NC(=O)c4ccc(C#N)cc4)ccc1c23 4088267 YSHSJBBQQDURJI-UHFFFAOYSA-N 369.424 4.724 30 40 FJEB Cc1ccc(-c2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c2C#N)cc1 5238278 KJJKWKLBYYRXJI-UHFFFAOYSA-N 367.861 4.563 30 40 FJEB COc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2C#N)cc1 6304173 RNXUHXUPIKEAAK-UHFFFAOYSA-N 352.393 4.742 30 40 FJEB CC1(C)C[C@@]2(CCO1)/C(=N\c1ccccc1)N=C(S)N2c1ccccc1 13865249 NGNMHUMNTPTJCX-NRFANRHFSA-N 365.502 4.850 30 40 FJEB CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc([N+](=O)[O-])ccc1O 59475454 HYSPEVFZXVOVKL-UFFVCSGVSA-N 368.311 4.859 30 40 FJEB C[C@H](C#N)CNC(=O)c1sc2cccc(F)c2c1COc1ccccc1 72275323 HBQNCLSZOZDCFC-CYBMUJFWSA-N 368.433 4.509 30 40 FJEB C[C@H](CC#N)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 77291970 IYRKNDIHBKVMOV-KHLWDBHXSA-N 359.554 4.527 30 40 FJEB in-vitro COc1ccc(C)cc1-c1csc(NC(=O)C2(C#N)CCCCC2)n1 84147619 NIDYXSUSMVQDMZ-UHFFFAOYSA-N 355.463 4.540 30 40 FJEB C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@]3(C2)[C@H]1OC(C)=O 100060678 AQBQBBLJTDSVLC-BJJKLVEISA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 5960613 FMOXWWDBFKFIRM-MTJSOVHGSA-N 372.376 4.531 30 40 FJEB biogenic CCOc1ccc(Nc2oc(/C=C/c3cccc(OC)c3)nc2C#N)cc1 6870462 TYVFLCJHTRLILV-KPKJPENVSA-N 361.401 4.868 30 40 FJEB aggregator CCCCCCCCCCCC(=O)Nc1ccc(-n2cnnn2)cc1OC 8445835 TZAQAQYFMHDUPC-UHFFFAOYSA-N 373.501 4.530 30 40 FJEB COc1ccc(C/C(C)=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 12616656 DRJCMDCFKFSTJF-SRZZPIQSSA-N 367.327 4.653 30 40 FJEB N#Cc1c(N)nc2c(sc3nc4c(cc32)CCCC4)c1-c1ccccc1 19798015 GNGVDZBHFIQFOL-UHFFFAOYSA-N 356.454 4.844 30 40 FJEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1 36047265 YPBUWTWKCNBCRV-UBKPWBPPSA-N 360.584 4.707 30 40 FJEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)SC1=S 408816915 UYOGEQRDMHJSOJ-PDGQHHTCSA-N 368.527 4.790 30 40 FJEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(N2CCCCC2)cc1 408960632 NIOWPPXHGGOAMF-CYVLTUHYSA-N 363.486 4.569 30 40 FJEB C[C@@H]1C[C@@H](N[C@@H](CCCC#N)c2ccccc2)CN(Cc2ccccc2)C1 552083361 ACVYQSVRHTVDDG-HUVFLSCGSA-N 361.533 4.922 30 40 FJEB Cc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1C 12648644 BUQLQLDQZXVMEQ-UHFFFAOYSA-N 352.441 4.979 30 40 FJEB CC(=O)Nc1ccc(/N=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 22243298 ZNJUZVMMTBJQIV-XTQSDGFTSA-N 357.369 4.703 30 40 FJEB Cc1ccc(OCCn2cc(C#N)c3cc(Br)ccc32)cc1C 59109382 LEVVLPMVXXHMMK-UHFFFAOYSA-N 369.262 4.971 30 40 FJEB O=[N+]([O-])c1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1 59461366 DEAVLNIPSOYFSN-OTMUCCKHSA-N 367.386 4.785 30 40 FJEB C=CCc1cc(/C=N/c2cc(Cl)ccc2C)cc(OC)c1OCC(=O)O 59678936 YLNINOJURMYGJF-SSDVNMTOSA-N 373.836 4.600 30 40 FJEB COC(=O)c1cccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c1C 59679416 OVHUHBJUNYPXCI-LPYMAVHISA-N 352.821 4.976 30 40 FJEB COc1ccc(/N=C2/S/C(=C\c3ccco3)C(=O)N2CC(C)C)cc1 61971815 IEDZJLSSYXMUTJ-GDOHLEIWSA-N 356.447 4.548 30 40 FJEB CCOc1ccc2nc(NC(=O)Nc3ccc(Cl)cc3C#N)sc2c1 2644785 SYFSXKKSSHYQAM-UHFFFAOYSA-N 372.837 4.864 30 40 FJEB Cc1sc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C#N)c1C 40160073 XILUVIYLLBZZOR-UHFFFAOYSA-N 370.405 4.800 30 40 FJEB C[C@@H]1C[C@@H](C)CN(C/C(O)=N/c2nc(-c3c[nH]c4ccccc34)cs2)C1 49655139 SMTGSHJWNMDDKA-ZIAGYGMSSA-N 368.506 4.857 30 40 FJEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1cc2c(s1)CCCC2 103444179 ZETWAGHOUSXCOM-DARPEHSRSA-N 373.481 4.512 30 40 FJEB N#Cc1ccccc1CO/N=C/c1ccc(N2CCCC2)c2ccccc12 408595760 NPCZVKZXJCCBMO-PCLIKHOPSA-N 355.441 4.862 30 40 FJEB CC(C)N1C/C(=C/c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 13739018 RRHSEVXTBDLMRI-VHVWWYSBSA-N 353.412 4.725 30 40 FJEB C=CCn1cc(C(=O)Nc2cn(CC(C)C)nc2C(F)F)c2ccccc21 89856714 WRDRIIFUWZMFLS-UHFFFAOYSA-N 372.419 4.870 30 40 FJEB C=CCn1cc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c2ccccc21 89904557 MNLDNLAGVIQGCC-CQSZACIVSA-N 354.400 4.939 30 40 FJEB CCn1c(=O)c(C(=O)/C=C/c2ccc3ccccc3c2)c(O)c2ccccc21 100192691 OVBPUGUJTMBOMP-WYMLVPIESA-N 369.420 4.776 30 40 FJEB C=CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211501541 QETHRIWMEUGOAU-ATVHPVEESA-N 353.399 4.610 30 40 FJEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224920390 GJWKWYDRIPFFSB-UHFFFAOYSA-N 360.237 4.514 30 40 FJEB Cc1cccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cn2)c1C 409063600 CUUFUZDUSCILIB-WYMPLXKRSA-N 358.367 4.954 30 40 FJEB Brc1ccc2[nH]cc(/C=N/Nc3ccc4ccccc4n3)c2c1 4663337 XRXYTPWCXZZAIR-SRZZPIQSSA-N 365.234 4.925 30 40 FJEB COc1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 5551451 JZUUTOSNTJDLFN-COVZNBLNSA-N 350.443 4.533 30 40 FJEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccs3)n2C2CC2)cc1 7763818 GQFRSKVHFVTKOW-INIZCTEOSA-N 366.515 4.877 30 40 FJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(F)c3)c12 8229815 ISUBJIIDDLYPBE-VAWYXSNFSA-N 359.404 4.819 30 40 FJEB CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9195240 YWYRWZXIMHEMKO-KEBDBYFISA-N 353.249 4.524 30 40 FJEB CCOc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O 9422599 UTFAOMKGZTZACZ-KEBDBYFISA-N 363.413 4.510 30 40 FJEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\c2ccccc2C)cc1 15134710 VTXOKUJMMXPQBI-JCMHNJIXSA-N 365.454 4.822 30 40 FJEB CC1(C)Cc2c(C#N)c(Nc3ccccc3)nc(NCc3ccco3)c2CO1 20590783 NMNCRRSFBGHEDT-UHFFFAOYSA-N 374.444 4.753 30 40 FJEB N#Cc1cnc(NCc2ccc(Oc3cccnc3)c(F)c2)c(Cl)c1 60372334 HALKPVLNANSBCN-UHFFFAOYSA-N 354.772 4.545 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCC)cc1 408709405 SFNVLDNUXPILHS-UHFFFAOYSA-N 362.514 4.671 30 40 FJEB O=[N+]([O-])c1cc(F)c(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)c1 1504250333 HKSFRLMWCHZRGD-UHFFFAOYSA-N 355.165 4.962 30 40 FJEB C[C@H]1C/C(=N/N=C2\SCC(=O)N2c2ccc(Cl)cc2)CC(C)(C)C1 6183625 ILUUFJCKAFIIBX-VMLBSSNPSA-N 363.914 4.978 30 40 FJEB COc1ccc(N/N=C(\c2ccccc2)c2noc(-c3ccccc3)n2)cc1 16940604 WTAMAFUULWNDDK-LKUDQCMESA-N 370.412 4.610 30 40 FJEB Cc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682511 ODVWGMMOKQFGKL-NLRVBDNBSA-N 367.496 4.717 30 40 FJEB COc1ccc2c(c1)CC/C(=C\c1cc(Br)ccc1F)C2=O 33502515 NWKXMWRIUVBCOI-XYOKQWHBSA-N 361.210 4.809 30 40 FJEB CCCCCCCc1c(C)nc(S[C@@H](CCCC)C(=O)O)nc1O 98048994 CKARLQCYAXWDHY-HNNXBMFYSA-N 354.516 4.739 30 40 FJEB Cc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(C)c1 100006035 OPBZVBSTNRLNEG-LVWGJNHUSA-N 368.440 4.522 30 40 FJEB CC(=O)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408951072 HTLSPZOMJANEDX-FRKPEAEDSA-N 371.028 4.758 30 40 FJEB O=C(C[n+]1cn(C(F)F)c2ccccc21)c1ccc(-c2ccccc2)cc1 1468260 JFYMWGSAUPZSCQ-UHFFFAOYSA-N 363.387 4.874 30 40 FJEB O=C(O)c1ccc(/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 5633846 OIHISQMUVMIOSX-UFFVCSGVSA-N 369.760 4.747 30 40 FJEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccccc3F)S2)cc1 110704995 BKPMGKBXTUGAHP-QGOAFFKASA-N 369.465 4.564 30 40 FJEB CCn1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c1C 409064222 CQOOWBWNFQZHFW-YBEGLDIGSA-N 359.882 4.670 30 40 FJEB C[C@@H]1C[C@H](N[C@@H](CCCC#N)c2ccccc2)CN(Cc2ccccc2)C1 552083362 ACVYQSVRHTVDDG-QDSKXPNFSA-N 361.533 4.922 30 40 FJEB CC(C)(C)c1cc(Br)cc(/C=N/c2cccc(CO)c2)c1O 865476 FXKCBBWINNTERE-KEBDBYFISA-N 362.267 4.695 30 40 FJEB Oc1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1O 1194754 YMVYHBINIVQRBJ-SRZZPIQSSA-N 362.410 4.831 30 40 FJEB O=C(/C=C/c1sccc1C1OCCO1)c1cccc(C(F)(F)F)c1 5248905 CZTDQOJHSWOWPF-SNAWJCMRSA-N 354.349 4.708 30 40 FJEB Cc1cs/c(=N\c2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccn1 6888519 LDWLVNNSIRXJAG-GVIZQGAVSA-N 363.273 4.674 30 40 FJEB Cc1nc(S[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)c(C#N)c(C)c1C 6980727 VHUNPYQNJMYEFX-ZDUSSCGKSA-N 368.437 4.921 30 40 FJEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCCC[C@H]2C)C1=O 9485296 GGXICYRPSWUPLF-JVVDOCDTSA-N 369.486 4.753 30 40 FJEB N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c(F)c1 11300493 IISLSBYTFPWKOM-UHFFFAOYSA-N 350.378 4.521 30 40 FJEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc(Cl)cc1Cl 100163091 GOQFWMCYNCJDIL-HKWRFOASSA-N 352.217 4.618 30 40 FJEB O=[N+]([O-])c1cccc(/N=C2\C=Cc3noc4c3c2c(O)c2ccccc24)c1 103882403 OHZCSDCZVFOSHN-RCCKNPSSSA-N 357.325 4.742 30 40 FJEB CC1=NN(c2ccccc2)C(=N)/C1=N/Nc1ccc(SC(F)F)cc1 111912597 CPSDHIFLKLRDJF-BZIAYQISSA-N 359.405 4.643 30 40 FJEB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)c(C#N)c1 225855098 BARMDHKYTCGVNF-IERDGZPVSA-N 358.482 4.661 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 408708084 USYHZYOKOYYDTK-UHFFFAOYSA-N 360.542 4.683 30 40 FJEB COc1ccc2c(c1)c(C(=O)O[C@@H](C)/C(O)=N/C(C)(C)C)c(C)n2C1CC1 10571397 BQTDCJAIOKDWRQ-ZDUSSCGKSA-N 372.465 4.594 30 40 FJEB COc1cccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c1OC 12662979 OFYQUTJFLBMQRR-NDENLUEZSA-N 366.413 4.665 30 40 FJEB biogenic COCC[C@@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)c1ccc(C)o1 95993875 KBWUJYWVRIMXDH-QGZVFWFLSA-N 355.825 4.851 30 40 FJEB N#CCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408989544 LENHGBWKUNUZBA-UHFFFAOYSA-N 365.458 4.625 30 40 FJEB COC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)c(C)c1 409229756 UQJYLYGEROYKER-HZHRSRAPSA-N 366.461 4.531 30 40 FJEB C=C(Br)Cn1c(COc2ccc(OC)cc2)nc2ccccc21 1470590 AIDBYGDOCYGMRJ-UHFFFAOYSA-N 373.250 4.533 30 40 FJEB CCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O 4911065 JBUGQCOLYBOLRA-YGHXBTADSA-N 365.502 4.629 30 40 FJEB O=C(/C=C/c1ccccc1OC(F)F)c1ccc(Br)cc1 5832284 MZBFJGJWRBGHIB-JXMROGBWSA-N 353.162 4.947 30 40 FJEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 6652997 CARPNOOHEFODBZ-INIZCTEOSA-N 358.397 4.757 30 40 FJEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccccc3C)C(=O)N=C2S1 8452996 DMGFZXCINDYKAH-IGLFKNPDSA-N 368.506 4.975 30 40 FJEB COc1ccc(CN/N=C/c2c(C)n(C(C)C)c3ccccc23)cc1OC 20196660 AIMZIFLIGGHALW-ZVHZXABRSA-N 365.477 4.672 30 40 FJEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 20663710 PUXOHZIATMBXSH-BKUYFWCQSA-N 365.473 4.974 30 40 FJEB Cc1nnc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C#N)c1C 24052854 VTHLGCOSIXWMOU-UHFFFAOYSA-N 361.245 4.795 30 40 FJEB O=C(/C=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 100314331 XCRSRXRAHKRVSS-UPHRSURJSA-N 351.168 4.781 30 40 FJEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225045505 OVMTZMCKCRKHGK-UHFFFAOYSA-N 357.862 4.875 30 40 FJEB C=CCc1cc(C#N)cc(OC)c1OCc1ccc(Br)cc1 226364287 LTQXFKYOQWWHIV-UHFFFAOYSA-N 358.235 4.637 30 40 FJEB CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 408943305 YUJTXWLFBXHGRS-XQNSMLJCSA-N 361.445 4.772 30 40 FJEB O=C(c1ccc(F)cc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242721 DWGNWYNKEAOSEM-UHFFFAOYSA-N 360.122 4.616 30 40 FJEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 2179055 APCYGTJABUECTR-UHFFFAOYSA-N 354.475 4.930 30 40 FJEB Oc1ccc(/C=N/N=c2/scc(-c3ccccc3)n2-c2ccccc2)cc1 2677225 OGRUWCIOSIZQSV-COWAANAZSA-N 371.465 4.846 30 40 FJEB COc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(C)c3C)n2)cc1 4292773 FCVJZPRUEQKQQG-MOHJPFBDSA-N 362.458 4.775 30 40 FJEB N#Cc1ccccc1NC(=O)NCCCn1c2ccccc2c2ccccc21 4622431 NQVGNKISHIQNAP-UHFFFAOYSA-N 368.440 4.878 30 40 FJEB CCn1nccc1C(=O)/C=C/c1ccc(COc2ccc(F)cc2Cl)o1 6634681 IECIRZPLXOPCKW-VOTSOKGWSA-N 374.799 4.764 30 40 FJEB CCOc1cc(C#N)ccc1OCc1ccc(C(=O)Nc2ccccc2)cc1 7509204 QRCRVLMPWNNTJC-UHFFFAOYSA-N 372.424 4.788 30 40 FJEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1 15316962 OGCSRSUYWOHVKX-MRXNPFEDSA-N 358.397 4.757 30 40 FJEB CCOc1ccc(/N=C2/N=C(O)S/C2=C\c2ccc(O)c(OC)c2)cc1 18179076 YGXNUFBHZROSLE-BOPFTXTBSA-N 370.430 4.531 30 40 FJEB CC(C)(C)C1=CC(=NNc2nncc3ccccc23)C=C(C(C)(C)C)C1=O 30955058 ACQRJSCVNKLXPT-UHFFFAOYSA-N 362.477 4.925 30 40 FJEB O=C(Oc1cccc(/C=N\Nc2nc3ccccc3s2)c1)c1ccccc1 33395753 VTDMHBLVQXZPDB-HMAPJEAMSA-N 373.437 4.962 30 40 FJEB N#Cc1c(-c2ccccc2F)cc(-c2ccc(Br)cc2)nc1N 33526101 QPDFSHLAHQCCPF-UHFFFAOYSA-N 368.209 4.771 30 40 FJEB N#Cc1c(NC2(c3ccc([N+](=O)[O-])cc3)CCCC2)sc2c1CCC2 57351146 FEHLKMQRXPQJLG-UHFFFAOYSA-N 353.447 4.898 30 40 FJEB N#Cc1nc(Cc2cccc3ccccc23)oc1NCCOc1ccccc1 96346475 QPOSZNMGZVKQSE-UHFFFAOYSA-N 369.424 4.781 30 40 FJEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 216829041 DNVYSFRBTUZGPC-UHFFFAOYSA-N 364.800 4.800 30 40 FJEB C[C@@H]1Cc2cc(-c3ccc(CNCc4ccc(C#N)s4)cc3)ccc2O1 540810200 NSGQGPBPFWJBIW-OAHLLOKOSA-N 360.482 4.900 30 40 FJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(Cl)c2)NC(=O)N1 5866058 NFFXQSGQFJUJQF-INIZCTEOSA-N 361.228 4.504 30 40 FJEB COc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 6610927 DEBNQTRLICYGHM-UHFFFAOYSA-N 374.465 4.648 30 40 FJEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C\c2sccc2C)C1=O 6814455 YVEAWVLGJZZXPY-BOPFTXTBSA-N 367.470 4.551 30 40 FJEB COc1cc(C#N)ccc1O[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 7470595 BSIOUGYPPVOJKN-JOCHJYFZSA-N 372.424 4.634 30 40 FJEB Cc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 10118814 TZTFECGKLXFQRE-WSDLNYQXSA-N 369.808 4.940 30 40 FJEB Brc1cc(/C=N/c2ccc3ncccc3c2)oc1N1CCCC1 408854037 WAOGBVABLLFDGH-CIAFOILYSA-N 370.250 4.941 30 40 FJEB CC[C@H](C)Oc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409030018 BPRULXRBKORSCC-BPJMFIHVSA-N 360.273 4.578 30 40 FJEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(O)cc1 4740371 GGNWDTULILJHDJ-CKZKCJOCSA-N 364.445 4.544 30 40 FJEB Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1cc([N+](=O)[O-])ccc1O 4819834 GQSCGGVKFGTWCT-SSDVNMTOSA-N 374.356 4.563 30 40 FJEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1cccs1 5376776 BUCHNRPWTFYHLC-KPKJPENVSA-N 355.271 4.947 30 40 FJEB C=CCOc1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 20241953 OSLNOWWDRTXFEO-UHFFFAOYSA-N 365.857 4.916 30 40 FJEB C[C@@H](NC(=O)COc1ccc(/C=N\c2ccccc2)cc1)c1ccccc1 408806263 IMNADADMBZLMOQ-GJQHCVRFSA-N 358.441 4.693 30 40 FJEB O=[N+]([O-])c1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1 408809136 IEYJUTJPDZRIGS-UNOMPAQXSA-N 370.206 4.899 30 40 FJEB N#C[C@@H](C(=O)c1cccs1)c1nc2ccc(C(F)(F)F)cc2s1 3268665 ZFVOFZHEUGHLIZ-VIFPVBQESA-N 352.362 4.867 30 40 FJEB Cc1[nH]c2ccccc2c1CCNC1=CC(=O)C[C@@H](c2ccc(F)cc2)C1 4171652 IYKQPTJOOAEKQC-KRWDZBQOSA-N 362.448 4.778 30 40 FJEB CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-] 7141287 CTDQOVINDIGFPY-RIYZIHGNSA-N 374.396 4.964 30 40 FJEB C=C1C[C@@H](c2ccccc2OCc2ccc(C(=O)OC)cc2)O[C@H](C)C1 18190101 OTOMNJIFGCJDCB-IERDGZPVSA-N 352.430 4.848 30 40 FJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C#N)C1 20461300 KHSMMJOHVJJMPH-SNVBAGLBSA-N 373.434 4.524 30 40 FJEB COc1cc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc(OC)c1OC 26533064 DPUDXXPQZZGQAQ-FNORWQNLSA-N 370.376 4.802 30 40 FJEB C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 44087113 PXBJCHRVUGUUTQ-UHFFFAOYSA-N 355.394 4.865 30 40 FJEB C=CCSc1nnc(C)c(/C=C/Nc2cccc(C(F)(F)F)c2)n1 100104742 DWRYDINDRHBKRR-BQYQJAHWSA-N 352.385 4.560 30 40 FJEB O=[N+]([O-])c1cccc(/N=C2\c3ccccc3CN2c2cccc([N+](=O)[O-])c2)c1 100400786 JVKIXVZIUPLZQK-QZQOTICOSA-N 374.356 4.602 30 40 FJEB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225846484 NCSNQXJOXBSBMU-OAQYLSRUSA-N 360.498 4.907 30 40 FJEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1c(F)cccc1Cl 408967913 YAJUSCDRTBOYJL-RIYZIHGNSA-N 350.777 4.510 30 40 FJEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(C(C)=O)[C@]4(C)CC[C@@H]32)C1 2038118193 QLMXZKMIBONXSF-VHWBZUMISA-N 354.490 4.926 30 40 FJEB C=CCn1c([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4033568 YROLHRMVYLRKSG-HNNXBMFYSA-N 365.864 4.705 30 40 FJEB CCO/C=N/c1c(C(=O)OCC)sc2nc(C(C)C)c3c(c12)CCC3 5068455 YWLNQULTCUHUNP-KEBDBYFISA-N 360.479 4.781 30 40 FJEB O=C(/C=C1\Nc2ncccc2N=C1CC(=O)c1ccccc1)c1ccccc1 5934101 ALXIVRQCUACAJV-HKWRFOASSA-N 367.408 4.619 30 40 FJEB CCOc1ccc(C(C)=O)cc1CSc1nc(C)c(C)c(C)c1C#N 8728473 XVLOGRYUWJBPRF-UHFFFAOYSA-N 354.475 4.772 30 40 FJEB COc1cc(OC)c(OC)cc1/C=N\CC1(c2ccccc2)CCCC1 13155015 JZIAGQFVOFBYQI-HAHDFKILSA-N 353.462 4.643 30 40 FJEB Cc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)o1 13786420 FZYIFBRCFCNXBZ-JAIQZWGSSA-N 350.345 4.922 30 40 FJEB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1C#N 14094455 FFWTXQVBKNVGKX-MRXNPFEDSA-N 357.413 4.790 30 40 FJEB C=CCOC(=O)c1ccc2oc(-c3cccc(Br)c3)nc2c1 73634058 WENILZXSFBWLSD-UHFFFAOYSA-N 358.191 4.600 30 40 FJEB CC/N=c1/scc(-c2cccs2)n1/N=C/c1c[nH]c2ccccc12 103460941 HVXQSHIEPAGJBO-XVZIYFEASA-N 352.488 4.562 30 40 FJEB C=CCOc1cccc(NC(=S)NCCSCc2ccc(C)cc2)c1 225294228 XTLCRXZRVZGAFU-UHFFFAOYSA-N 372.559 4.780 30 40 FJEB F[C@H](C(F)(F)F)C(F)(F)COc1cccc(NCC(F)(F)F)c1 1083811856 ZLXVOICLPHMAJH-VIFPVBQESA-N 355.200 4.575 30 40 FJEB Cc1cc(Br)cc(Cl)c1OC(=O)c1ccc(C#N)cc1 6508629 RCWMJTLOSQAIII-UHFFFAOYSA-N 350.599 4.502 30 40 FJEB CCOC(=O)c1c(C)[nH]c(/C(C)=N/Nc2cc(C)c3ccccc3n2)c1C 24036291 JWPKMDQJEIVHHT-BUVRLJJBSA-N 364.449 4.501 30 40 FJEB CCCCCCCCSc1nc(C)c(CC(=O)OCCCC)c(O)n1 100017550 VAZKHXOPVIQDSX-UHFFFAOYSA-N 368.543 4.829 30 40 FJEB C=C(C)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=N\O)C[C@H]12 100132781 YQICTZDGXWUAOK-JRNVNWNJSA-N 353.462 4.507 30 40 FJEB in-vitro CCN(/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)CC 118917957 QIWHTHRIASTAHD-AZWRHVTBSA-N 371.565 4.715 30 40 FJEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 226332673 OOLFILUQBRWGLJ-UXBLZVDNSA-N 361.224 4.762 30 40 FJEB Cc1ccc(/N=C/c2ccc(O)c(I)c2)cc1Cl 408962706 JLSGUXYYHYHLIT-CAOOACKPSA-N 371.605 4.709 30 40 FJEB Cc1cc(C)c2nc(/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)sc2c1 802221 YAZMKIVVOMPWTH-CNHKJKLMSA-N 361.810 4.931 30 40 FJEB S=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccccc1 826123 CMHZZRBTBSCYCJ-UDWIEESQSA-N 355.850 4.921 30 40 FJEB O=[P@@](C#Cc1ccccc1)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 1305780 PHBIAKQEYPXNIN-BWKNWUBXSA-N 350.329 4.514 30 40 FJEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 2433913 ZHAOWQMHZWRORE-UNOMPAQXSA-N 365.429 4.661 30 40 FJEB O=[N+]([O-])c1ccc(CO/N=C(\c2ccccn2)[C@H]2C[C@H]2c2ccccc2)cc1 5684682 CGFJLRZHILVUBX-FHXNKAKFSA-N 373.412 4.714 30 40 FJEB Cc1ccc(-c2nnc(S)n2/N=C\c2cccc(Cl)c2Cl)cc1 6032891 XBYUOPYNKSCEAM-OCKHKDLRSA-N 363.273 4.731 30 40 FJEB COCc1cc(C)nc(N/N=C/c2cccc(Oc3ccccc3)c2)c1C#N 33957556 QMYPZUDMBFFMAN-ZVHZXABRSA-N 372.428 4.646 30 40 FJEB C=CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1OC 218658329 OYFBGRQESJVUDD-LJQANCHMSA-N 365.473 4.764 30 40 FJEB C=C(C)COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)c1 219791033 MGBGQVZUHVDEEL-UHFFFAOYSA-N 373.836 4.724 30 40 FJEB CCCCc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N 225892860 MBJQSGPTPMETNV-UHFFFAOYSA-N 367.305 4.872 30 40 FJEB Cc1ccc(Cl)cc1N1CC[C@@H](C/N=C(/O)c2oc(C3CC3)nc2C)C1 329774393 IOBIXQSYMNRCLX-AWEZNQCLSA-N 373.884 4.653 30 40 FJEB COc1ccc2nc(N/N=C(/c3ccccc3)c3ccccn3)cc(C)c2c1 5392980 NAEJVBUMPICYKC-VYIQYICTSA-N 368.440 4.811 30 40 FJEB C=CCO/N=C(\CCC)C1=C(OC)C[C@@H](C[C@@H](C)SCC)CC1=O 5417233 UQZVHDPICKDZDC-OAZZHIDZSA-N 353.528 4.756 30 40 FJEB C#CCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1OCC 6962195 XAHRWGGHFLJLQH-HYARGMPZSA-N 357.837 4.900 30 40 FJEB CC/N=C1\S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1CC 9323755 QDQHNSULXYSOBW-RTFHHYCWSA-N 358.488 4.743 30 40 FJEB Cc1sc(NC(=O)CSc2ccc3ccccc3n2)c(C#N)c1C 11907500 FULRPIFQBRUIOE-UHFFFAOYSA-N 353.472 4.516 30 40 FJEB COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 18197673 SVODOUZYRZUOSY-FQEVSTJZSA-N 369.848 4.922 30 40 FJEB N#Cc1ccccc1CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 20195566 RPVREKIZQFYVEZ-UHFFFAOYSA-N 361.257 4.942 30 40 FJEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1 225931621 HWHSLGCRVPCWJD-UHFFFAOYSA-N 369.464 4.927 30 40 FJEB Cc1noc(/C=C/c2ccc(OCc3ccc(C#N)cc3)cc2)c1[N+](=O)[O-] 408603748 HCIGISMKFDCRFP-DHZHZOJOSA-N 361.357 4.512 30 40 FJEB CCn1nc(C)c(/N=C/c2c(O)ccc3cc(Br)ccc23)c1C 408977154 UPUDFSJDXCTOGM-KEBDBYFISA-N 372.266 4.892 30 40 FJEB FC(F)(F)c1ccc(N/N=C/c2ccc(N3CCCCCC3)o2)nc1 409105251 KFNOEQMKKCNOPO-WSDLNYQXSA-N 352.360 4.520 30 40 FJEB O/C(=N\c1nc(-c2ccccc2)ns1)c1ccc(Br)cc1 2889447 DZWOHXUHPQCLID-UHFFFAOYSA-N 360.236 4.604 30 40 FJEB N#Cc1ccc(Cn2cc(C(=O)c3ccccc3F)c3ccccc32)cc1 4704961 ZBILKEBAWOAOOS-UHFFFAOYSA-N 354.384 4.931 30 40 FJEB Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 4869105 SHJHSQQHOKDVRY-LJQANCHMSA-N 364.493 4.542 30 40 FJEB C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(N2CCOCC2)s1 5163056 LKKAEMXPPQJMQQ-OQKWZONESA-N 363.486 4.757 30 40 FJEB O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cccc(N2CCCC2=O)c1 7350077 CIKDINSTZFGXFJ-DHZHZOJOSA-N 359.347 4.728 30 40 FJEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1N1CCCC1 8844509 XZZIQJKEZMEZKE-UHFFFAOYSA-N 369.808 4.639 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 17159808 JROKPHOMKXLVLN-CZIZESTLSA-N 354.366 4.509 30 40 FJEB C=CCN(C(=O)c1sc(C)nc1C)c1nc(-c2ccccc2)cs1 72501615 KFSOEEOQEPKRDX-UHFFFAOYSA-N 355.488 4.716 30 40 FJEB S=C(N/N=C\c1ccc(Sc2ccccc2)o1)Nc1ccccc1 409001457 VZUPMRRUMZOHTQ-UYRXBGFRSA-N 353.472 4.751 30 40 FJEB CC[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C1 670645 WLKJFUMPXRVZHJ-GFCCVEGCSA-N 374.893 4.806 30 40 FJEB O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)oc2ccccc12 2227928 YTRLZMSTOMYNQS-UHFFFAOYSA-N 364.163 4.718 30 40 FJEB Cc1nc2cc(C(=O)OCc3ccc(C#N)cc3)ccc2n1-c1ccccc1 4289355 NKHRFBZPLVQEPC-UHFFFAOYSA-N 367.408 4.563 30 40 FJEB CCC[C@H]1C/C(=N\OC)c2cc(-c3ccc(Br)cc3)nnc2C1 5193992 FODLNCWXFGFHKI-JZECQHRXSA-N 374.282 4.619 30 40 FJEB Cc1nc(SCC(=O)Nc2ccccc2C(C)(C)C)c(C#N)c(C)c1C 8132198 XTEDIKRYMZKGKM-UHFFFAOYSA-N 367.518 4.907 30 40 FJEB N#Cc1ccc(CSc2nc(-c3ccc4c(c3)OCO4)ccc2C#N)cc1 12249741 ROALEHSFZSJVSW-UHFFFAOYSA-N 371.421 4.513 30 40 FJEB COc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 17861622 PIPQUEPAGSEIKH-HZHRSRAPSA-N 361.397 4.674 30 40 FJEB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@H](C)C1 225854703 VVAYQOFUCQTFNY-HRAATJIYSA-N 358.482 4.659 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CCN3CCCCC3)CC[C@H]21 2144901 XPMGQNDZUDZVOU-KJXAQDMKSA-N 353.506 4.573 30 40 FJEB CC(=C/c1ccccc1)/C=N/n1c(S)nnc1-c1ccc(Cl)cc1 2266127 KFFLDGCWIGVHPU-XKSGRZMBSA-N 354.866 4.825 30 40 FJEB C(=N/c1ccccc1Cc1ccccc1)\c1ccc(N2CCOCC2)cc1 3216180 NZEKVFXSTIOBLQ-NCELDCMTSA-N 356.469 4.865 30 40 FJEB CCOc1ccc(-n2c(SCCC#N)nnc2-c2cccc(C)c2)cc1 3327654 YJZUSURDYGIJMS-UHFFFAOYSA-N 364.474 4.647 30 40 FJEB C=CCN(C(=O)c1cccc(OC)c1)c1nc(-c2ccccc2)cs1 6407201 XXIPOONUZHBZMJ-UHFFFAOYSA-N 350.443 4.652 30 40 FJEB C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1C1CCCCC1 8036301 SJCKLZDAOVPMOA-UHFFFAOYSA-N 361.486 4.952 30 40 FJEB CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CCN3CCCCCC3)CC[C@H]21 12659055 UWQHCHABBAIPPF-SFLYRZDNSA-N 367.533 4.963 30 40 FJEB biogenic COc1ccc(C(=O)N=C2C(C)=C(Cl)C(=O)C(Cl)=C2C)cc1Cl 16779969 MWXQYGFDUOGRRA-UHFFFAOYSA-N 372.635 4.538 30 40 FJEB O=C(/C(=N\Nc1ccccc1)c1nc2ccccc2s1)c1ccccc1 105886783 QFKCVQUEPYIZCX-LYBHJNIJSA-N 357.438 4.995 30 40 FJEB Cc1cc(C)c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)c1 409406008 PPXZZZZJOFXWTO-UHFFFAOYSA-N 367.452 4.871 30 40 FJEB C[C@@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)Oc1ccccc1 1612172 PSFHMFHSQQOEFX-HSZRJFAPSA-N 367.408 4.783 30 40 FJEB CCCOc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 4070252 DPGYYDPMAMPEKJ-UHFFFAOYSA-N 363.442 4.723 30 40 FJEB C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O 4910321 XAWDUGVRYRKJAA-HXUWFJFHSA-N 373.500 4.710 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)c2ccccn2)cc1 27794512 MCZIOBNJTADWQR-UHFFFAOYSA-N 374.440 4.502 30 40 FJEB CCCCC(NCCc1c(C)[nH]c2ccc(C)cc12)=C1C(=O)CCCC1=O 100146053 QKKYBLJBOYHZEA-UHFFFAOYSA-N 366.505 4.683 30 40 FJEB COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 408952223 LMGJWBKTYFIGCI-HYARGMPZSA-N 353.853 4.956 30 40 FJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 2319930 QGJSHXOJIBOMMM-UHFFFAOYSA-N 368.527 4.913 30 40 FJEB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C#N)C1 4628390 BEAHKPKMMJEUEF-XKQJLSEDSA-N 350.487 4.877 30 40 FJEB O=C(/C=C/c1cccc(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1 6048154 WUORBEWHTWWIJL-QPJJXVBHSA-N 366.598 4.907 30 40 FJEB Cc1oc2cc(Oc3ncccc3C#N)ccc2c(=O)c1Oc1ccccc1 12741637 SILJKTFTCPMGQT-UHFFFAOYSA-N 370.364 4.953 30 40 FJEB Cc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)c1 18181219 XNLFSKRWIYTGSO-FQEVSTJZSA-N 369.464 4.933 30 40 FJEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(N(C)C)cc2)S1 33293454 ROXRZSICIGWYRE-GZTJUZNOSA-N 371.893 4.606 30 40 FJEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 103733445 VNCMKHPBMKAURP-SFHVURJKSA-N 361.828 4.642 30 40 FJEB CC(=O)N(C)c1cc(/N=C\c2ccccc2)ccc1OCc1ccccc1 104093646 ZJSBGLSFCBTBRQ-JLPGSUDCSA-N 358.441 4.999 30 40 FJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)c(O)c(C)c3)S2)cc1C 107845935 DGTIEIMGHSEJDX-YVLHZVERSA-N 352.459 4.517 30 40 FJEB C#CCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1OC 409110265 ANSIGOWUUZIDDZ-UHFFFAOYSA-N 350.245 4.935 30 40 FJEB Cc1nc(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)ccc1C#N 1639820223 HROSEFDTXCCWCJ-QGZVFWFLSA-N 360.230 4.727 30 40 FJEB Cc1nc(N/N=C/c2cc(Cl)cc(Cl)c2O)cc(-c2ccccc2)n1 4595545 OCSBOJKTKSWURY-UFFVCSGVSA-N 373.243 4.910 30 40 FJEB CN(C)c1ccc(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)cc1 32789571 SHNVSGXTBBLEBH-VGOFMYFVSA-N 358.441 4.623 30 40 FJEB CCCCC(C)(C)[C@H](O)/C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O 195760648 CTQQHQGBBMYJPT-XBCVUKPCSA-N 364.526 4.916 30 40 FJEB COc1ccccc1C(=O)O/N=C(/Cc1ccccc1)c1cccs1 409051680 BZPVLKYNRILNGB-FXBPSFAMSA-N 351.427 4.561 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)C[C@@]34CCCC[C@H]3C4(F)F)n2)cc1 598799120 AHXZXOUZRQHDGS-QAPCUYQASA-N 373.428 4.836 30 40 FJEB O=C(N=C1C=CC(=NC(=O)OCc2ccccc2)C=C1)OCc1ccccc1 1583198 XARBFVBAGWCLKX-UHFFFAOYSA-N 374.396 4.668 30 40 FJEB O/N=C1C(=C/c2ccc(F)cc2)/CCC[C@@H]/1[C@H](NO)c1ccc(F)cc1 6511962 UXDMUBQZCGHXNL-IDUCTXRKSA-N 358.388 4.699 30 40 FJEB Cc1ccc(/C=[N+](\[O-])c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 80343828 NWAGUWZIIIWSPE-MYYYXRDXSA-N 355.397 4.973 30 40 FJEB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 103443229 CUQFCGDJXYDVHY-UHFFFAOYSA-N 355.184 4.653 30 40 FJEB C=CCOc1ccc(NC(=S)NCCSCc2ccc(C)cc2)cc1 225294184 XESDDHUGFJXJFZ-UHFFFAOYSA-N 372.559 4.780 30 40 FJEB C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OC 409109769 KXUAVPFCWPBCQX-WJDWOHSUSA-N 369.848 4.821 30 40 FJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 1786898 AJXYYZFRUNKQMB-ZDUSSCGKSA-N 368.527 4.850 30 40 FJEB O=C1C([S@](=O)c2ccc(Cl)cc2)=C(O)c2cccc3cccc1c23 6995861 GPNGWOBKONOKJA-DEOSSOPVSA-N 354.814 4.724 30 40 FJEB N#Cc1c(NC(=O)c2ccc3c(c2)COC3)sc2c1CCCCCC2 64394252 QOXIPROFPGCRPV-UHFFFAOYSA-N 352.459 4.561 30 40 FJEB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C#N 225832502 UEHONGFZKAFSOO-IIBYNOLFSA-N 358.482 4.661 30 40 FJEB O=c1oc2ccccc2cc1-c1csc(NN=C[C@H]2CC=CCC2)n1 254828684 UGHGKIWJIWQYMO-ZDUSSCGKSA-N 351.431 4.671 30 40 FJEB CC[C@@H](C)Oc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cn1 408910932 MCCXYWHTUYMVJB-BXSODOALSA-N 364.405 4.766 30 40 FJEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1 409252530 SKZLSAXEKQETGZ-UDWIEESQSA-N 369.218 4.689 30 40 FJEB COc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 4925262 PDLLYIBPAJOTOO-ZVBGSRNCSA-N 358.747 4.822 30 40 FJEB Cc1ccc(N/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)c(C)c1 13523609 XSOCTUMRZKXSIW-UHFFFAOYSA-N 370.499 4.613 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1onc(C(C)(C)C)c1[C@@H]2c1cccnc1 20725643 FUZNWRUPJNMHMY-OAHLLOKOSA-N 351.450 4.568 30 40 FJEB CCOc1ccc(OCC)c(/N=C\c2cc(Br)ccc2O)c1 44835824 MYDHKKIUKIXFHX-ODLFYWEKSA-N 364.239 4.703 30 40 FJEB CCCOc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 59444483 ZWKHEBFKNGPBBV-CSKARUKUSA-N 355.390 4.678 30 40 FJEB N#Cc1cc(=NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)cc[nH]1 1776004389 KCYWFAVTJXINMN-UHFFFAOYSA-N 371.774 4.711 30 40 FJEB C=C(C)COc1ccc(-c2onc(C)c2-c2ccccc2OC)c(O)c1 6662091 QDGFBHHIDHMLJI-UHFFFAOYSA-N 351.402 4.986 30 40 FJEB biogenic Clc1cccc(Cl)c1CN/N=C/c1ccc(Br)s1 9196724 LUMYZLZJQZYFGB-OMCISZLKSA-N 364.095 4.941 30 40 FJEB N#CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 44085377 CUNZVJLMGIEJNS-UHFFFAOYSA-N 370.275 4.917 30 40 FJEB Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)cc1 59417079 ZJOCFJVYVAJSHL-OEAKJJBVSA-N 370.412 4.537 30 40 FJEB Cc1c(/C=N/c2ccc(Cl)cc2)c(O)n2c(nc3ccccc32)c1C#N 100165375 ZXRNACSFUKJVHF-FOKLQQMPSA-N 360.804 4.777 30 40 FJEB O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc3ccccc3c2)c1O 105987771 PSPVOUKPNFTHHP-GRSHGNNSSA-N 371.190 4.967 30 40 FJEB C=CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl 409078847 IJOCYNVRHHZEHW-ZROIWOOFSA-N 374.223 4.903 30 40 FJEB CC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1Br 675338 JQLDSQZFCUCFDI-UHFFFAOYSA-N 357.251 4.871 30 40 FJEB Cc1ccc(N2C(=O)C[C@]2(C#N)c2ccc(OCc3ccccc3)cc2)cc1 987618 RKYTXLUBKWKKRO-DEOSSOPVSA-N 368.436 4.730 30 40 FJEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)c1 4740747 SMOQUDVRUKSYHC-KOEQRZSOSA-N 373.500 4.990 30 40 FJEB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(C#N)c1 14116549 WFLRZCIFZSLGNF-UHFFFAOYSA-N 363.442 4.708 30 40 FJEB CCCCCCCCOc1ccc(/C=C/C(C)=N\NC(=N)NC)cc1OC 104265820 LETGDTPRMOTUQV-IQKMHMRTSA-N 374.529 4.567 30 40 FJEB CC1=CC(C)(C)N(C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc21 208436191 CMTAZHREILSPHA-FYJGNVAPSA-N 350.422 4.673 30 40 FJEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)NC1CCCCC1 408805937 CSVMWHOWVWLSPO-UCQKPKSFSA-N 370.880 4.918 30 40 FJEB Cc1ccccc1N=C1NC(=O)/C(=C\c2c(C)n(C)c3ccccc23)S1 408842749 BAQQAILTJLJAPU-XDHOZWIPSA-N 361.470 4.687 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 2659823 ZWAHXEMSJGOXIN-UHFFFAOYSA-N 373.359 4.953 30 40 FJEB FC(F)(F)c1cc(C(F)(F)F)c2ccc(N/N=C/c3ccco3)nc2n1 4052697 QYJAYIYGPYRRKV-QPJQQBGISA-N 374.244 4.706 30 40 FJEB CSc1ccccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 4517391 QITCLLQFLFBUPK-UHFFFAOYSA-N 351.456 4.656 30 40 FJEB Cc1sc2ncnc(N/N=C/c3cccc(Br)c3)c2c1C 4679625 XORCAGWFTFQBMI-FBCYGCLPSA-N 361.268 4.517 30 40 FJEB COc1ccc(COC(=O)c2ccccc2-c2ccccc2C#N)cc1F 5147793 UYMAUZSDOKFBLR-UHFFFAOYSA-N 361.372 4.730 30 40 FJEB Cc1ccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)cc1 5238277 VVJCRDJWARFZNY-UHFFFAOYSA-N 367.861 4.563 30 40 FJEB C=CCN(CC=C)C(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12 6248604 YIKGDBNZHKXMRR-UHFFFAOYSA-N 358.441 4.725 30 40 FJEB C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 6401737 GPHHCLLCOPKOKY-RYUDHWBXSA-N 363.244 4.510 30 40 FJEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCCCC3)o2)o1 8654732 GKBZTJRBVBTYOR-UHFFFAOYSA-N 363.417 4.684 30 40 FJEB O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F 12956465 HQOROMAWUFAOML-MPUCSWFWSA-N 373.186 4.803 30 40 FJEB C=CCc1ccc(OCCSc2nc3c(C)cccc3[nH]2)c(OC)c1 15831926 LPQLLUIQSXRMFK-UHFFFAOYSA-N 354.475 4.780 30 40 FJEB Cc1cc(C)c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)c1 33397818 PPXZZZZJOFXWTO-MFKUBSTISA-N 367.452 4.871 30 40 FJEB Cc1c(C(=O)Nc2cccc(Cl)c2)cn2c(nc3ccccc32)c1C#N 37868577 ULXAXBVPMMVCIE-UHFFFAOYSA-N 360.804 4.573 30 40 FJEB aggregator C=CCc1cc(/C=N/c2ccccc2C(C)C)cc(OC)c1OCC(=O)O 59248940 CAFAPWLKZQFYCK-YDZHTSKRSA-N 367.445 4.761 30 40 FJEB O/N=C\c1cc(Br)ccc1OCc1cccc2ccccc12 100250125 DLHRHJHJHGTEPR-JAIQZWGSSA-N 356.219 4.989 30 40 FJEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 224708916 JWXTVGJVDOYVPI-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB Cc1cccc(Cc2c(N)cc(C#N)n2CCOc2ccc(Cl)cc2)c1 225862971 WVRVACLTEUJWTL-UHFFFAOYSA-N 365.864 4.574 30 40 FJEB C#CCOC(=O)c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244409 DIBSPGFJXUSBLN-UHFFFAOYSA-N 374.017 4.806 30 40 FJEB O=C(NCc1ccccc1)c1c(/N=C\c2ccco2)sc2c1CCCC2 408771756 IOINLWAXOROFLE-UCQKPKSFSA-N 364.470 4.901 30 40 FJEB CCOC(=O)c1cccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)c1 409369790 XXJFDNRCXBQSGJ-NBVRZTHBSA-N 358.393 4.946 30 40 FJEB Cc1ccccc1OCCCC(=O)Nc1sc2c(c1C#N)CCCC2 1772522 FEKKMPCWSUMDQZ-UHFFFAOYSA-N 354.475 4.605 30 40 FJEB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 2199600 MZNGXQVHLPRQHJ-MFKMUULPSA-N 355.290 4.638 30 40 FJEB Oc1ccc(F)cc1/C(=N/Nc1ccccc1)c1cnn(-c2ccccc2)c1 3887443 JKVURSMDYJFJJK-XTCLZLMSSA-N 372.403 4.582 30 40 FJEB CCc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)cc1 4655569 XHRHCUJHPPAIHA-MAKNYPIPSA-N 358.485 4.781 30 40 FJEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 4740359 SNHXXYZNPJORBS-QOVDMSNSSA-N 366.436 4.978 30 40 FJEB C[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2)C1=O 4902063 BEZYOBCLSRXWRT-KCVCMMMASA-N 373.481 4.694 30 40 FJEB Cc1ccc2c(C)cc(SCC(=O)Nc3ccccc3C#N)nc2c1C 12536764 OCLOPRXOEKLSTA-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(Cl)cc2)C1=O 408726694 URTIGBKKCOOKQI-LDADJPATSA-N 367.832 4.526 30 40 FJEB Cc1ccc(-c2ccc(/C=N\c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)O 408849779 ZBLFVSIVIYYAEL-JAIQZWGSSA-N 350.330 4.612 30 40 FJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3c(C)cc(C)cc3C)S2)cc1 408955747 YXULDIIUZPUHRU-XDHOZWIPSA-N 366.486 4.902 30 40 FJEB CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1Br 809033 QEAOWOBAUIEUNX-KEBDBYFISA-N 374.307 4.688 30 40 FJEB Cc1ccc(/C=[N+](\[O-])[C@@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1 4785503 TZKQZCLJUWSIKL-GFHXCNCHSA-N 370.543 4.563 30 40 FJEB N#Cc1c(/N=C/c2ccc(O)cc2O)oc(-c2ccco2)c1-c1ccco1 5635947 GCMDJMTWSNWZHT-SSDVNMTOSA-N 360.325 4.833 30 40 FJEB CN(C)c1ccc(C(=O)/C=C/c2ccccc2OCc2ccccn2)cc1 12522508 ZXUNMNADPHKCMO-NTCAYCPXSA-N 358.441 4.623 30 40 FJEB CCCc1ccc([C@H](NCCC(=O)Nc2sccc2C#N)C(C)C)cc1 12879985 DPIDGWULYAWAFH-HXUWFJFHSA-N 369.534 4.888 30 40 FJEB C=CCSc1ccccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29487392 ZAYIECMNEXXRPQ-LJQANCHMSA-N 352.503 4.523 30 40 FJEB COc1cc(/C=N\Nc2nccs2)ccc1OCc1cc(C)cc(C)c1 31783649 MJNWJKYVOJZIFV-UUYOSTAYSA-N 367.474 4.794 30 40 FJEB COc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c2ccccc12 108115040 VNYRBFVHPNTOEV-ITJPOMAQSA-N 366.467 4.723 30 40 FJEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(SC)cc1 224984277 LITWMQBXYAOWAS-UHFFFAOYSA-N 367.923 4.752 30 40 FJEB C#CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 226333586 BQLIKWNQYIBUOD-CSKARUKUSA-N 361.224 4.762 30 40 FJEB CC(C)COc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O 408603560 RSLYUIYYAMBQCG-PDGQHHTCSA-N 352.459 4.613 30 40 FJEB Cc1cccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 408721928 BKULSDMVEGXARF-LNVKXUELSA-N 374.396 4.707 30 40 FJEB Cc1cc(N2CCCC2)ccc1/C=N/Nc1ccc(Br)cc1 4620830 SEFAZXLHSCPLLP-DEDYPNTBSA-N 358.283 4.804 30 40 FJEB COc1cccc(/N=C2/c3ccccc3C(=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 4859706 IETWJJNVSFFKQL-DDYOIZNJSA-N 372.380 4.704 30 40 FJEB COc1ccc(C(=O)/C=C/c2ccc(F)c(Br)c2)c(OC)c1 13137560 JHGVNYUAVMGETR-XBXARRHUSA-N 365.198 4.502 30 40 FJEB COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1 33927957 XQZVHESVZCKBJB-WDNWICHASA-N 364.533 4.802 30 40 FJEB C[C@@H](Sc1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 65476750 IOFCBTFIBLLEML-GFCCVEGCSA-N 372.515 4.714 30 40 FJEB C=CCOc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 65749272 RRNFOPGVNFWMAP-UHFFFAOYSA-N 366.642 4.920 30 40 FJEB CC/C(C)=N\Nc1nc2ccc(NC(=O)Cc3ccccc3)cc2s1 72229620 CDNKXJJBPVWVDW-XKZIYDEJSA-N 352.463 4.675 30 40 FJEB CCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1 100233529 JBDGJSKLYGSPKG-KQAARNMGSA-N 365.502 4.767 30 40 FJEB COc1ccc(/N=C\c2cc(Br)c(Br)o2)cc1 408955306 WVJZTPXILBEYIZ-CHHVJCJISA-N 359.017 4.564 30 40 FJEB CCCCC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 4017631 SZNWONWYSVYJQG-MNDPQUGUSA-N 356.382 4.900 30 40 FJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 4903063 VEBRTZIQKRKHKG-GOSISDBHSA-N 359.473 4.750 30 40 FJEB CC(C)(C)c1ccc(CSc2sc3c(O)cc(=O)[nH]c3c2C#N)cc1 4945404 MQRLSBVHRVIAFJ-UHFFFAOYSA-N 370.499 4.757 30 40 FJEB Cc1cccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c1C 5593318 ZRPNRMNNEFXMFK-WYMPLXKRSA-N 354.413 4.741 30 40 FJEB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21 6960392 CJTYKLYMZPGBOD-NNMXDRDESA-N 374.440 4.511 30 40 FJEB COc1cc(/C=C/c2ccc3ccc(Cl)cc3n2)ccc1OCC#N 25150431 WYIFXOHIMNKDNQ-FARCUNLSSA-N 350.805 4.970 30 40 FJEB Oc1ccc(Br)cc1/C=N/Cc1ccc(C(F)(F)F)cc1 57411951 DXSMASYVJPVCQG-AWQFTUOYSA-N 358.157 4.793 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1cc(C(=O)OCC)ccc1C 219813200 XFZAFZDDDXNCME-UHFFFAOYSA-N 355.459 4.702 30 40 FJEB N#Cc1nc(COc2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 2203655 SRDOUQIRIKMGEV-UHFFFAOYSA-N 373.456 4.584 30 40 FJEB C/C(=N\Nc1ncc(-c2cc3ccccc3oc2=O)s1)c1ccccc1 4674817 HXSPHSGVBORRIY-LPYMAVHISA-N 361.426 4.753 30 40 FJEB C=CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 8470202 LXIVLVWUUURRRF-UHFFFAOYSA-N 352.261 4.857 30 40 FJEB N#Cc1c2c(nc(N)c1-c1ccc(OCc3ccccc3)cc1)CCCC2 19831984 QJSNNRNSIBWIQI-UHFFFAOYSA-N 355.441 4.660 30 40 FJEB N#Cc1c(NC(=O)c2ccc(Oc3nccs3)cc2)sc2c1CCC2 225637778 ZMHUORTUCVPKPO-UHFFFAOYSA-N 367.455 4.610 30 40 FJEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc(N(C)C)cc1 408742730 XZRBEQWENXRCCB-OEAKJJBVSA-N 361.445 4.609 30 40 FJEB CCn1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc21 408964421 GVAJLBGPWRZQHY-XDHOZWIPSA-N 361.470 4.861 30 40 FJEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccccn1 409230033 WNDFSUJWZAKIKP-SSDVNMTOSA-N 353.809 4.591 30 40 FJEB O=C1C2=C(NC3=C(C(=O)c4ccccc43)C2c2ccccc2)c2ccccc21 3106543 BRRLYPCKLSSKES-UHFFFAOYSA-N 361.400 4.589 30 40 FJEB C[C@@H](Oc1ccccc1F)c1nnc(SCc2ccc(C#N)cc2)o1 7137722 SPHQUHLPCXFEIP-GFCCVEGCSA-N 355.394 4.513 30 40 FJEB CCN1C=C(C(=O)/C=C/c2ccccc2)[C@H](c2ccc(Cl)cc2)NC1=O 12321960 FJZKNRSNISCBMP-BNCSFYMNSA-N 366.848 4.593 30 40 FJEB N#Cc1ccc(-c2ccc(OC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)cc2)cc1 14905688 OVKKNAWSIGDMLF-YOFSQIOKSA-N 359.425 4.526 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 38547488 KQDYTCDQXLRMNP-UHFFFAOYSA-N 354.822 4.979 30 40 FJEB O=C(O)c1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1 6244203 QJUDVTCHBGKWSR-JAIQZWGSSA-N 363.398 4.701 30 40 FJEB C[C@H](NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1cccs1 6409021 IXTXMEBXMQZDPT-HNNXBMFYSA-N 362.454 4.543 30 40 FJEB C/C(=N/Nc1ccccc1)c1cc2c3c(c(=O)oc2c(C)c1O)CCCC3 96343752 CBAXEVPVOAAXQH-UCQKPKSFSA-N 362.429 4.522 30 40 FJEB C=C1C[C@@]2(CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O 118936601 WGTHPOGRDPMMBQ-XCMMUJMZSA-N 356.506 4.552 30 40 FJEB C=CCc1cc(C(=O)NCCCc2cccc(OC(C)C)c2)ccc1OC 218656493 GOQZYTBLQOFSKQ-UHFFFAOYSA-N 367.489 4.574 30 40 FJEB C/N=C1\S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C(=O)N1C 223485928 HLMHJFOEBLXXDP-CXDOZEDNSA-N 369.534 4.629 30 40 FJEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2cccc(F)c2)cc1 408592355 MGCGQORTDDMPPG-AFUMVMLFSA-N 360.388 4.827 30 40 FJEB COc1cc2c3c(c1)/C(=C\C(=O)c1cccs1)C(=O)N3C(C)(C)C=C2C 1740816371 BGDYGPFIBHCALT-MHWRWJLKSA-N 365.454 4.565 30 40 FJEB Cc1ccc(C2=CC(=O)C(=O)N2N(c2ccccc2)c2ccccc2)cc1 2077705 VTYUIZOMKKWFKF-UHFFFAOYSA-N 354.409 4.501 30 40 FJEB CCc1c(C)sc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1C#N 2498153 XJIBGPSWCDGQEK-GFCCVEGCSA-N 371.506 4.882 30 40 FJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3c4c(cccc24)CC3)c1O 3096866 QCGJFXWJGURJPF-UFFVCSGVSA-N 352.777 4.956 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1O 7717812 XGVBIDYWMUJFTG-FARCUNLSSA-N 367.626 4.713 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C1=O 15013582 BWOMKZOJZWGOSV-CPNJWEJPSA-N 366.486 4.879 30 40 FJEB N#Cc1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 25949259 ORZNDDKGJNLALY-XMMPIXPASA-N 354.453 4.799 30 40 FJEB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@@H](C)C1 225855164 PISWEQCHYDRZAG-IERDGZPVSA-N 358.482 4.659 30 40 FJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(C)=O)c3)c2C)cc1 408740946 FKRNKBFLPYXFAA-ZVHZXABRSA-N 374.440 4.834 30 40 FJEB COc1cccc(/N=C/c2cc(Br)c(Br)o2)c1 408851966 OJDZVTSASYULRH-VIZOYTHASA-N 359.017 4.564 30 40 FJEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3cccc(O)c3)c2)cc1C 409377351 GUVQWJFMEMOMQM-OYKKKHCWSA-N 374.440 4.777 30 40 FJEB C=C(C)COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=N/O)C[C@H]12 4974427 YQICTZDGXWUAOK-BMCVXAGOSA-N 353.462 4.507 30 40 FJEB in-vitro C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1 6367846 XNNWZCSDDIEDNV-LRXSNBMBSA-N 363.486 4.543 30 40 FJEB C/C(=N\OCC(=O)NCc1cccs1)c1ccc(-c2ccccc2)s1 32935599 WJLREYXJVNQQIA-KGENOOAVSA-N 370.499 4.534 30 40 FJEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2cccc(Cl)c2)C1=O 59516271 MZPKFSXKNCGQKY-LDADJPATSA-N 367.832 4.526 30 40 FJEB N#Cc1ccc(OCc2cccc(Br)c2)c(Br)c1 125111225 YSTNLTIPDPKECE-UHFFFAOYSA-N 367.040 4.662 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O 409074282 PQLYEZMHFTVNIE-LDADJPATSA-N 369.417 4.627 30 40 FJEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(=O)O 409215196 YIERHNNFIJGTAA-UCQKPKSFSA-N 361.445 4.609 30 40 FJEB CCc1ccc(/C=N/OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 3371790 LAKRVSLHBJIXNV-SRZZPIQSSA-N 364.417 4.553 30 40 FJEB N#Cc1ccccc1COc1ccc(C(=S)N2CCCCC2)cc1Cl 6473792 FLGBJLBGGREXRR-UHFFFAOYSA-N 370.905 4.952 30 40 FJEB C=CCSc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1CC 7574920 BNRHMMXKDXQMDM-UHFFFAOYSA-N 360.479 4.871 30 40 FJEB CC(/C=C1/[C@@H]2CC[C@@H](C2)C1(C)C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 31829608 ZZQQYNWQXYKHDG-QNDHGYHXSA-N 358.398 4.673 30 40 FJEB N#C[C@H](C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C(F)(F)F)cn1 48829735 ZCWCJXNSAYSYGI-WOPDTQHZSA-N 364.289 4.645 30 40 FJEB C=CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 216777161 GRGQBQYUSUVCKK-UHFFFAOYSA-N 351.185 4.555 30 40 FJEB N#Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 247646724 KQRKHVLKOYLHFK-UHFFFAOYSA-N 367.040 4.662 30 40 FJEB C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(C(=O)OCC)cc1 14356513 SYCWEGXJPJATGJ-DQRAZIAOSA-N 364.470 4.812 30 40 FJEB N#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)cc1 14629508 XFHBQRDASBPAOU-UHFFFAOYSA-N 373.481 4.741 30 40 FJEB CN(C)c1ccc(/C=N\N=C\c2ccc(N(C)C)cc2Cl)c(Cl)c1 19891398 DPNROQKODOXKPL-ZCJKAFFOSA-N 363.292 4.578 30 40 FJEB N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NC1CC1 33324442 WQJNVELUDKDPLI-UHFFFAOYSA-N 355.781 4.613 30 40 FJEB COc1ccc(/N=C/C=C(\O)c2ccc(Br)cc2)c(OC)c1 100980976 ISOLHEOQKOTJSE-KPUGQTCVSA-N 362.223 4.768 30 40 FJEB C#CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CCCCC)C1=O 409203031 UIMNGQCYXPLUDL-VBKFSLOCSA-N 363.866 4.579 30 40 FJEB O=C(/C(=N\N=C\c1ccc2c(c1)CCC2)c1ccccc1)c1ccccc1 4582372 KBNYSQWJFBNBIO-SHDDXADGSA-N 352.437 4.881 30 40 FJEB Cc1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c(C)c1 4673025 OPBZVBSTNRLNEG-YYDJUVGSSA-N 368.440 4.522 30 40 FJEB COc1cc(C)c(/C(C)=N/Nc2nc(-c3ccc(C)o3)cs2)cc1OC 5342574 AVCRHAQJUBGGTP-FYJGNVAPSA-N 371.462 4.873 30 40 FJEB N#CCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 7735904 BZSHSRKOPRGZJF-UHFFFAOYSA-N 354.866 4.653 30 40 FJEB CCOc1ccc(/C=C/c2nc(C#N)c(N(C)Cc3ccccc3)o2)cc1 8323859 KTWTUEGUQAZPDT-SDNWHVSQSA-N 359.429 4.752 30 40 FJEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2\C[C@H]3C=CC[C@H]23)c1 13988500 OOLPSPFENZMUGE-NHBYIASCSA-N 359.804 4.597 30 40 FJEB CN(c1ccccc1)c1ccc(/C=N\NC(=S)Cc2ccccc2)cc1 35188648 OOYHVPKFAOMUCI-QJOMJCCJSA-N 359.498 4.948 30 40 FJEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2)n1CC 408560141 CDIXWXNWRCINEP-UHFFFAOYSA-N 360.527 4.542 30 40 FJEB COc1ccc(-n2cccc2/C=N/c2ccc(C(=O)O)c(Cl)c2)cc1 408851215 AGGDWINGRVVQJQ-CIAFOILYSA-N 354.793 4.588 30 40 FJEB CCCCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 2286258 GDOXHCABHVSBNL-UHFFFAOYSA-N 361.257 4.637 30 40 FJEB C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(OC)cc1 4356752 CHRATRSANKRVJE-UHFFFAOYSA-N 351.475 4.740 30 40 FJEB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1C 7897677 RMSLGKNHKXVGKQ-UHFFFAOYSA-N 372.424 4.635 30 40 FJEB CCCCC(=O)Nc1ccc(/N=C/c2cccc(OCC)c2O)cc1OC 32115585 ZWJIBDNXSOVHQQ-HYARGMPZSA-N 370.449 4.679 30 40 FJEB Cc1cccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2)c1 408589305 DQTJLBIWJHSUTI-MFKUBSTISA-N 356.425 4.996 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 408709360 RGZDIWZQOGTXHV-UHFFFAOYSA-N 372.431 4.901 30 40 FJEB CCOC(=O)Nc1ccc(C(=O)/C=C\c2ccc(N(CC)CC)cc2)cc1 8581367 SLWXJMICFIAYMH-SXGWCWSVSA-N 366.461 4.997 30 40 FJEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NCc1ccccc1 8654582 WLDWKJYWQIPSLH-UHFFFAOYSA-N 371.396 4.997 30 40 FJEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2F)cc1 8655071 KHAPVRDAJCRLHO-ZHZULCJRSA-N 373.383 4.749 30 40 FJEB COc1ccc(/C(C)=N/NCc2c(Cl)cccc2Cl)c(OC)c1 9196301 OANXHNUXNWLMAD-SRZZPIQSSA-N 353.249 4.524 30 40 FJEB COc1cc(CN[C@H](C)c2ccc(CC(C)C)cc2)ccc1OCC#N 12930701 SAWODCJSHVRNBH-QGZVFWFLSA-N 352.478 4.647 30 40 FJEB CN(C)[C@@H](CNc1oc(C(C)(C)C)nc1C#N)c1ccc(C(C)(C)C)cc1 96346223 ALPUMYWLMZRDPA-SFHVURJKSA-N 368.525 4.856 30 40 FJEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(Br)cc1)C2 101371885 VXYHEEIGJJGNHL-JMGVKUAZSA-N 350.256 4.808 30 40 FJEB Cc1ccc(/C=N\n2c(-c3ccccc3Cl)nc3ccccc3c2=O)cc1 1575302 SJMNTQKOGGRCLI-OYKKKHCWSA-N 373.843 4.908 30 40 FJEB Clc1ccc2nc(N/N=C/c3cccnc3)nc(-c3ccccc3)c2c1 4811901 BIBXBMGMNQSSNO-YDZHTSKRSA-N 359.820 4.791 30 40 FJEB Cc1ccc2cc(C)c(N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 5571159 MAKZKMAYOMJEMB-KEBDBYFISA-N 354.797 4.859 30 40 FJEB O=C1c2c(ccc3ccccc23)O[C@@H]1/C=N\OCc1ccc(Cl)cc1 100914109 FEEXRBCETWKRDZ-DSDJNCIMSA-N 351.789 4.640 30 40 FJEB N#Cc1ccc(/C=N/n2c(-c3ccco3)cs/c2=N/c2ccccc2)cc1 102925286 MDNMXHJYODJVRY-LGLHSBMDSA-N 370.437 4.796 30 40 FJEB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCCC2 4627668 WEHQTUUJYLREDL-UHFFFAOYSA-N 374.893 4.868 30 40 FJEB N#C[C@]1(C(=O)c2ccccc2)C=Cc2ccccc2N1C(=O)c1ccccc1 5004824 PVIDKUKEDKGIPA-DEOSSOPVSA-N 364.404 4.505 30 40 FJEB Fc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682316 XNQSWLMNTBLBQH-YZSQISJMSA-N 371.459 4.547 30 40 FJEB Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C#N)cc2)s1 58364686 HFOAXKPTIJONTH-UHFFFAOYSA-N 351.431 4.756 30 40 FJEB CNc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1-c1ccccc1 98002731 IQGOCPZFADVTQB-UHFFFAOYSA-N 359.220 4.587 30 40 FJEB C/C(=N\N(Cc1ccccc1)c1ccccc1)C1C(=O)CC(C)(C)CC1=O 101642337 IKCVPTBPMCNKKF-JJIBRWJFSA-N 362.473 4.644 30 40 FJEB Oc1ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103550424 RSYKFXGHVDVTCH-UHFFFAOYSA-N 356.184 4.629 30 40 FJEB CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl 408532022 NFVSXDHKDWJZAZ-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)nc1 408749394 GOEHTUUSJPCDBZ-IYZLPOSQSA-N 362.349 4.557 30 40 FJEB COc1cccc(C(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1 1354482 UJCBOAGYVGHWDD-UHFFFAOYSA-N 362.454 4.707 30 40 FJEB O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1cccc([N+](=O)[O-])c1 4946177 KTNRRBCMGRKMIA-IBGZPJMESA-N 361.357 4.672 30 40 FJEB Cc1cc(/C=N/Nc2ccc(Cl)nn2)c(C)n1-c1ccccc1Cl 5446924 JESHFLPYFZBFOJ-KEBDBYFISA-N 360.248 4.637 30 40 FJEB CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N=C2O)cc1OC 6784142 AJFDWEQDLDYBTE-ATVHPVEESA-N 354.431 4.826 30 40 FJEB COc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)ccc1OCC#N 8487129 KUCMOFKUAHDGFC-FNORWQNLSA-N 361.319 4.512 30 40 FJEB COc1ccc(Cl)cc1N/C=C/C(=O)c1ccc(Br)cc1 9190090 ZAYXHGBXXWIHSG-CMDGGOBGSA-N 366.642 4.920 30 40 FJEB COc1cc(Cl)c(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9196372 FGSZPUCVNJOMPA-DNTJNYDQSA-N 373.667 4.788 30 40 FJEB CC(/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)=C/c1ccccc1 16919500 AEIWRXJWGCFDOT-CIIACBICSA-N 353.535 4.509 30 40 FJEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196773 HYFLDFCUNDJOQG-HXUWFJFHSA-N 365.454 4.702 30 40 FJEB O/C(CN1CCCCCC1)=N\c1nc(-c2ccc(F)c(F)c2)cs1 49802138 DBBIGLWJQGYPTB-UHFFFAOYSA-N 351.422 4.552 30 40 FJEB N#Cc1ccc(N[C@@H](COCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 84539491 BUXWLIRXBGPPHM-NRFANRHFSA-N 373.412 4.836 30 40 FJEB C=CCSc1ccccc1C(=O)NCCCN1CCCc2ccccc21 219820400 CPUDYQCTRYJUKL-UHFFFAOYSA-N 366.530 4.537 30 40 FJEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(C)c2)NC1=O 408806302 AKBJAULJAJTNSM-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB CCCCOc1ccc2ccccc2c1/C=N/Nc1ccc([N+](=O)[O-])cn1 409010837 LUODUCPSAGDJRR-HYARGMPZSA-N 364.405 4.768 30 40 FJEB Cc1ccc(C)c2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C#N)cc12 933895 QMVKRTIINCIVPF-KBXCAEBGSA-N 367.518 4.510 30 40 FJEB Cc1cccc(NC(=O)/C=C/c2ccc(N(CCC#N)CCC#N)cc2C)c1 1626590 BFYFHXVEXSOEFG-PKNBQFBNSA-N 372.472 4.589 30 40 FJEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C=O 4028814 SGHGOYDALDCQEW-GWWHBBDRSA-N 358.478 4.977 30 40 FJEB biogenic CCOc1ccc2cc(/C=C/C(=O)c3ccc(N)cc3)c(Cl)nc2c1 4321208 GYMDBLBSVQKVIB-UXBLZVDNSA-N 352.821 4.765 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)nc1 4739402 SYWSBGANTWZOEJ-VXLYETTFSA-N 374.809 4.833 30 40 FJEB C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cccs2)C3=O)C1 13654511 NCMRWOGLPHBUSW-NEHIUCFPSA-N 369.486 4.548 30 40 FJEB biogenic C#Cc1cccc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 24747485 KHNFZWYBJCRFLK-UHFFFAOYSA-N 364.495 4.977 30 40 FJEB COc1cc(/C=C2/COc3ccccc3C2=O)cc(Cl)c1OC(C)C 33502415 PPLAOESGKAPMPA-ZSOIEALJSA-N 358.821 4.795 30 40 FJEB C=CCn1c(-c2ccc(OC(F)F)cc2)cs/c1=N/c1cccnc1 103460851 AWYFYGBJGFBXQF-RELWKKBWSA-N 359.401 4.631 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C 408710271 VNFQTOKWZNWMQR-MOPGFXCFSA-N 352.563 4.718 30 40 FJEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408784053 RZYOBUUXHULLED-FSJBWODESA-N 350.393 4.990 30 40 FJEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408851440 KADWNJQGUFXPLC-WSDLNYQXSA-N 367.836 4.892 30 40 FJEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)o1 409385023 HSYAPWAJTAMVFO-WSDLNYQXSA-N 365.385 4.624 30 40 FJEB O=C(c1cc(Br)cs1)C(F)(F)C(F)(F)C(F)(F)F 575359060 OXRDNRMKEXRVCR-UHFFFAOYSA-N 359.060 4.526 30 40 FJEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3Br)NC2=O)cc1 5376303 QPAOOTPSWRROAY-GDNBJRDFSA-N 373.275 4.649 30 40 FJEB O=C(/C=C/c1ccc(-n2nncc2-c2ccccc2)cc1)c1ccccc1 5491234 WWEGTVSYRXLRAU-DTQAZKPQSA-N 351.409 4.830 30 40 FJEB C/C(=N\Nc1nc(-c2cccnc2)nc2ccccc12)c1ccc(C)cc1 8656327 RUGBTAIKJYLGMA-WGOQTCKBSA-N 353.429 4.836 30 40 FJEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OC 8811932 RCBVWEVGFAPFKE-KEBDBYFISA-N 353.249 4.524 30 40 FJEB O=C(c1ccc(F)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101472304 BVDUJHPLDISUAN-UHFFFAOYSA-N 360.122 4.616 30 40 FJEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C 118923388 DKDMFHJMQAAUII-XNRHGJAWSA-N 362.485 4.788 30 40 FJEB CCc1ccc(N=C2NC(=O)/C(=C\c3c(O)ccc4ccccc34)S2)cc1 408763355 NBFVEZHPYGPCRR-DEDYPNTBSA-N 374.465 4.999 30 40 FJEB COC(=O)c1cc(/N=C/c2cccn2-c2ccc(OC)cc2)ccc1Cl 408954447 SZMXIWRSSUWIEN-LPYMAVHISA-N 368.820 4.677 30 40 FJEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 408966493 MXKFQVBKUHZQJI-OEAKJJBVSA-N 361.397 4.723 30 40 FJEB COc1ccc(Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)cc1 409074400 QVIGMFQEZANQRG-FYJGNVAPSA-N 364.357 4.852 30 40 FJEB CCC[N+]1(CC#C[C@](O)(c2ccccc2)C2(C)CCCC2)CCCCC1 1754792 BNSUHDHRIHCYNP-DEOSSOPVSA-N 354.558 4.869 30 40 FJEB Cn1nc(C(F)(F)F)c(/C=N/c2cccc(C(F)(F)F)c2)c1Cl 2559171 XBLMUZLJSVOHKB-AERZKKPOSA-N 355.669 4.862 30 40 FJEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 4036935 RWUPOOKIXCYLDW-OAQYLSRUSA-N 370.408 4.528 30 40 FJEB COc1ccc(/C=C\C(C)=N/N/C(S)=N/c2ccc(Cl)cc2)cc1 5502906 KQMTYAWBTIHDOH-NYQVKWDSSA-N 359.882 4.945 30 40 FJEB Cc1[nH]c2ccccc2c1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6469952 RQEVOXAFYCOVCM-ZVBGSRNCSA-N 362.311 4.849 30 40 FJEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccccc1 6606438 KTIJCBXFDSIOFQ-UHFFFAOYSA-N 358.466 4.682 30 40 FJEB N#Cc1c(COC(=O)C2(c3cccc(F)c3)CCCC2)cn2ccccc12 14858203 CZLVPGSVLUTGHW-UHFFFAOYSA-N 362.404 4.505 30 40 FJEB CCOc1cc(C#N)ccc1Oc1nc(C(F)(F)F)nc2ccccc12 25067158 GQOMAXNWSUUNCW-UHFFFAOYSA-N 359.307 4.711 30 40 FJEB C=CCOC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)cc1 226332737 XETCBFVEJUNTQI-DHZHZOJOSA-N 373.246 4.771 30 40 FJEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@]4(C)CC[C@H]32)C1 253501277 QLMXZKMIBONXSF-QPJZEMMPSA-N 354.490 4.926 30 40 FJEB C#CCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1OCC 409118534 NYNHXWBDHMVGMS-UHFFFAOYSA-N 359.853 4.762 30 40 FJEB C=CCOc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1 409328698 AAZVSLJVTWTBLY-AQTBWJFISA-N 367.495 4.966 30 40 FJEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(C)cc2)C1=O 4116385 WYCOSGXCFKMOHA-LGMDPLHJSA-N 365.454 4.539 30 40 FJEB CC(C)c1ccc2nc(SCC(=O)N3CCC[C@H](C)C3)c(C#N)cc2c1 4848975 INYMBNQRFYYRHW-HNNXBMFYSA-N 367.518 4.580 30 40 FJEB CCN(CC)c1ccc(/C=C2/Sc3ccccc3C2=O)cc1[N+](=O)[O-] 5393342 QPABOICBSFPMRS-LDADJPATSA-N 354.431 4.771 30 40 FJEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(Oc3ccccc3F)CC1)C2 19460719 JGESHDRSJPUELM-AOMKIAJQSA-N 357.469 4.578 30 40 FJEB COc1ccc(/C=C2/CCOc3cc(Br)ccc3C2=O)cc1 48521026 MACLOQBPOTXIPG-RAXLEYEMSA-N 359.219 4.507 30 40 FJEB CC(C)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1 96544461 OIFGYNHOUUTVQJ-KIOXBDSISA-N 365.502 4.765 30 40 FJEB CN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(Br)cc1 100289205 KHEVGVBODLRROC-WGGXDPCSSA-N 373.275 4.683 30 40 FJEB O=C1NC2=C(C(=O)c3ccccc32)[C@H](c2ccc(Br)cc2)S1 101064141 BAHJLKNVJCQUCM-INIZCTEOSA-N 372.243 4.554 30 40 FJEB Cc1ccc(Cn2nc(OCc3cc(C(C)C)ccc3C)c(C#N)c2N)cc1 225846310 ASGNTUSACFEZOC-UHFFFAOYSA-N 374.488 4.705 30 40 FJEB Cc1c(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)sc2nccn12 333817449 IFPNIDVMLAAIEA-VHSXEESVSA-N 370.503 4.576 30 40 FJEB Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408956724 ZNBWVVAOVLWWKT-SSDVNMTOSA-N 368.820 4.902 30 40 FJEB O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)C(F)(F)Br 575360743 LWWYGFXGXHQZNQ-UHFFFAOYSA-N 371.021 4.895 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)C[C@]34CCCC[C@@H]3C4(F)F)n2)cc1 598799118 AHXZXOUZRQHDGS-MAUKXSAKSA-N 373.428 4.836 30 40 FJEB C=C(C)CNC(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 1625647238 IICNSQOIDJJVPC-QGZVFWFLSA-N 350.245 4.806 30 40 FJEB COc1cc(C)c(NC(=O)c2ccccc2-c2ccccc2C#N)cc1OC 14095874 FFCFTRCMFHDLBT-UHFFFAOYSA-N 372.424 4.803 30 40 FJEB CC(=O)Nc1ccc(/C=N\Nc2c3ccccc3nc3ccccc23)cc1 31672208 IMSHSOHELHNVOJ-UCQKPKSFSA-N 354.413 4.792 30 40 FJEB CCCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O 36093495 JDGUPUAAQACHJI-OJYKYLQSSA-N 371.531 4.772 30 40 FJEB C[C@H](Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1)C(=O)O 39557417 VJYGTMSMYDQFRP-CSUZIONRSA-N 360.413 4.711 30 40 FJEB CCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 59103795 MMWPAGQBSWBQII-UHFFFAOYSA-N 359.297 4.799 30 40 FJEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224685126 WVBCGJIZHGRDKP-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB FC(F)(F)c1ccc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc1 2318319 LABOTLKXMRLBCB-JMIUGGIZSA-N 354.401 4.889 30 40 FJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2c1 4849194 IPMRMHBVWOBXRI-RDTXWAMCSA-N 367.518 4.510 30 40 FJEB CCc1nnc(/N=C(\O)c2sc(-c3cccc(Cl)c3)nc2C)s1 7699122 GUFQLKUNCNOATE-UHFFFAOYSA-N 364.883 4.822 30 40 FJEB C=CCNc1nnc(S[C@@H](C)c2nc3ccccc3n2C(F)F)s1 8707839 OINMXBLAQWLRNU-VIFPVBQESA-N 367.450 4.734 30 40 FJEB Cc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)c(C#N)c(=O)[nH]2)c1 13920429 ARSXUOFTZKQQBI-UHFFFAOYSA-N 354.331 4.908 30 40 FJEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 21356092 AXVAXTZHXKFHSN-QFIPXVFZSA-N 360.457 4.850 30 40 FJEB C[C@H](Oc1cccc(C#N)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 58441422 BYBDPMVHPATAKH-IBGZPJMESA-N 370.452 4.555 30 40 FJEB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc(C#N)cc2)S1 85412337 IOXSZRSKEQMBBK-SFHVURJKSA-N 366.490 4.829 30 40 FJEB CC/N=C1\S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C(=O)N1CC 223525229 ZCRNAASCXGTHRQ-UPWKPQIYSA-N 371.550 4.721 30 40 FJEB N#Cc1ccc(-c2ccc(F)cc2)n(Cc2ccc(Cl)c(Cl)c2)c1=O 3125678 SYSBTDIWVZPTQY-UHFFFAOYSA-N 373.214 4.881 30 40 FJEB Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)o1 8550937 UZCXPOABGDAQFH-NTUHNPAUSA-N 353.230 4.786 30 40 FJEB CC(=O)Nc1sc(N/N=C/c2ccccc2F)nc1-c1ccc(C)cc1 13552220 MRBUIBAOXPUKIE-SRZZPIQSSA-N 368.437 4.662 30 40 FJEB Cc1cc(C)n2c(SCc3ccc(-c4ccccc4C#N)cc3)nnc2n1 14242696 KDHJVYQQLPLNOK-UHFFFAOYSA-N 371.469 4.572 30 40 FJEB N#Cc1ccc(NC(=O)CSCc2csc(-c3ccsc3)n2)cc1 32779128 HIURKLQWIVRSPK-UHFFFAOYSA-N 371.512 4.615 30 40 FJEB O=C1/C(=N/Nc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1 100005945 DEYDGTRLMDZJFC-HIXSDJFHSA-N 374.831 4.559 30 40 FJEB Cc1nsc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1C#N 580107051 IIFCZPMSBVZUIH-UHFFFAOYSA-N 358.854 4.502 30 40 FJEB CCCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O 4936660 WLIWPBVCFXANCQ-QZXJWJGPSA-N 365.502 4.711 30 40 FJEB C=CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccoc1C 6910857 SPLYSEDKZZHWOH-UHFFFAOYSA-N 368.487 4.935 30 40 FJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 9329632 MAGCJYFCNQRNLH-SFHVURJKSA-N 369.848 4.718 30 40 FJEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(C(C)C)cc1 16035403 YEBODISOIJKUCK-LDYSMASRSA-N 353.466 4.892 30 40 FJEB C=C(C)COc1cccc(C(=O)NCCSCc2ccc(C)cc2)c1 219777603 GRNUCAYIDWGLGE-UHFFFAOYSA-N 355.503 4.613 30 40 FJEB C=CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OCC 408912465 QWWMARPLHZJERQ-UHFFFAOYSA-N 368.816 4.766 30 40 FJEB CC(C)/N=C1\S/C(=C/c2ccccc2Br)C(=O)N1C(C)C 409210911 LPERCLQPKDQHAE-WZMAMLOKSA-N 367.312 4.538 30 40 FJEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC(F)F)cc3)c2C#N)C1 719553 WKUHCGTYSYTLKD-SNVBAGLBSA-N 362.401 4.598 30 40 FJEB Cc1ccccc1/N=C1\SCC(C)(C)N1C(=O)c1c(F)cccc1F 3299034 DXGWVHPHDSXTNY-PYCFMQQDSA-N 360.429 4.929 30 40 FJEB C=CCn1c(SCc2ccccc2C)nnc1-c1cccc(OC)c1 5517985 BEIMWDCLZLTVAV-UHFFFAOYSA-N 351.475 4.740 30 40 FJEB Cc1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)cc1C 6923839 RMTQFBWPVRXUDZ-LICLKQGHSA-N 350.468 4.581 30 40 FJEB CC/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(OC)cc1OC 9197899 SJRGMRQHMKBXBT-OQKWZONESA-N 367.276 4.915 30 40 FJEB Cc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 12467320 OUXSONRGLMKDOJ-ITYLOYPMSA-N 367.496 4.717 30 40 FJEB CCCN(C(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1Br 59120404 DZHZKQZWZFVJMR-CQSZACIVSA-N 371.278 4.934 30 40 FJEB Cc1c(C(=O)NC2(c3cccc(F)c3)CC2)sc2ccc(C#N)cc12 559948780 FVSIIXADOGDSKC-UHFFFAOYSA-N 350.418 4.640 30 40 FJEB C=CCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 1747593 QWLHYWJPQMHCJF-UHFFFAOYSA-N 362.539 4.971 30 40 FJEB Cc1sc2nc(C)n(/N=C/c3ccc(-c4ccccc4)cc3)c(=O)c2c1C 4129085 BKWFEMTXXPTGLA-YDZHTSKRSA-N 373.481 4.932 30 40 FJEB CC/C(=N/Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)c1ccccc1 6782392 OSOJRLXRTNSBIG-NKFKGCMQSA-N 364.474 4.995 30 40 FJEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(F)cc3)S2)cc1 6869765 LXSLPZHITNBWPO-AQTBWJFISA-N 369.465 4.564 30 40 FJEB CN(C)[C@H](CNc1oc(-c2cccs2)nc1C#N)c1ccccc1Cl 27991000 HXIDNMWZSZGQRP-OAHLLOKOSA-N 372.881 4.643 30 40 FJEB COC(=O)Nc1sc(N/N=C\c2ccc(C)cc2)nc1-c1cccs1 31829208 NRGANLOKCBDCMH-ZDLGFXPLSA-N 372.475 4.804 30 40 FJEB C=CCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169706550 UZECRIRVJZFHAY-XWPMNIEDSA-N 358.485 4.899 30 40 FJEB C=CCOc1cccc(NC(=S)NCCSC2CCCCC2)c1 225358931 CPJKYDGCSIOACO-UHFFFAOYSA-N 350.553 4.604 30 40 FJEB C=CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)c1 225490211 BTKNEUQCAJQHJF-IBGZPJMESA-N 356.491 4.698 30 40 FJEB Fc1ccc(/N=C/c2cc(Br)c(Br)o2)c(F)c1 408952834 NDCHGMAXPPDMRR-FZSIALSZSA-N 364.971 4.833 30 40 FJEB Cc1cccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)c1C 409212614 QYUHKPMYECDRAA-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB O=C(O)c1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1 409235912 CYYHCQIJDOGDTP-UDWIEESQSA-N 369.218 4.689 30 40 FJEB CCCOC(=O)c1ccc(/N=C/c2ccc(Br)s2)cc1 5431132 YKHOKLVJRMEXJX-LICLKQGHSA-N 352.253 4.828 30 40 FJEB CCCCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(O)cc1 6389851 ASSPJNMMDULRIC-MJLBXUHQSA-N 373.836 4.760 30 40 FJEB C=CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cn1 225935234 HQBGTGLDSSQPQP-UHFFFAOYSA-N 372.468 4.981 30 40 FJEB Cc1ccc(S(=O)(=O)/N=C(/Nc2ccccc2C)c2ccccc2)cc1 3898426 IVGQIHWZJBLSSO-UHFFFAOYSA-N 364.470 4.551 30 40 FJEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1Cl 4626481 QWLUBTFZXBHWNM-RDTXWAMCSA-N 363.885 4.841 30 40 FJEB N#Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 13898586 RAKZIIFUUFXYFT-GGAORHGYSA-N 351.409 4.801 30 40 FJEB C=CCn1c(SC/C=C/c2ccccc2)nc2c([nH]c3ccccc32)c1=O 16890297 YFPOMNIQALPEBU-DHZHZOJOSA-N 373.481 4.869 30 40 FJEB COc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 17701129 OHCSIOGFRLWTDF-FYJGNVAPSA-N 364.357 4.852 30 40 FJEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1Cc1ccc(Cl)cc1 225854496 ADECUTAJKISHAK-UHFFFAOYSA-N 356.256 4.888 30 40 FJEB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)c(C#N)c1 225855121 BARMDHKYTCGVNF-HRAATJIYSA-N 358.482 4.661 30 40 FJEB O=C(/C=C/c1cc2cc3c(cc2nc1Cl)OCCO3)c1cccs1 4280300 LIYJWKOCOQBVBK-ONEGZZNKSA-N 357.818 4.617 30 40 FJEB COc1cccc(CS/C(=N\C#N)Nc2cccc(C(F)(F)F)c2)c1 13582076 JCIIMAYAWVBKFT-UHFFFAOYSA-N 365.380 4.896 30 40 FJEB C/C(=N/CCCC/N=C(/C)c1cc(C)ccc1O)c1cc(C)ccc1O 17140832 JKCRBGNKFQPQJE-BOYKQRMESA-N 352.478 4.813 30 40 FJEB Cc1ccccc1-c1c(C#N)c(N)nc(SCc2ccccc2)c1C#N 19940010 OJEUGANQXGOJJS-UHFFFAOYSA-N 356.454 4.675 30 40 FJEB C=C(C)COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219792381 WPYQIDFQKASAMZ-HXUWFJFHSA-N 365.473 4.982 30 40 FJEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(C(C)(C)C)cc1 409245540 VJXKBGIJPCYCIT-KQWNVCNZSA-N 352.478 4.580 30 40 FJEB CN1/C(=C/C=C/C=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21 685944743 URLOLIIPOPGQPG-BUMRDOBSSA-N 355.437 4.860 30 40 FJEB CCc1ccc(NC(=O)[C@@H](C)O/N=C/c2ccc(C(C)(C)C)cc2)cc1 5752705 HLKGELICHQCPIE-LGVXEURYSA-N 352.478 4.924 30 40 FJEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5852890 FUURFTZRFXFGSR-XKZIYDEJSA-N 356.377 4.895 30 40 FJEB N#C[C@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc2ccccc2[nH]1 6315862 VBNBKRKOXDFQKN-MRXNPFEDSA-N 365.392 4.677 30 40 FJEB Cc1nnc(Sc2ccc(/C=N/c3ccc(Cl)cc3)cc2[N+](=O)[O-])[nH]1 6588358 RRUQRHAMDMZHBS-GIJQJNRQSA-N 373.825 4.577 30 40 FJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 9374867 BEWJDOVIDSNYNQ-SFHVURJKSA-N 369.848 4.718 30 40 FJEB N#Cc1ccc(-c2cccs2)nc1Sc1ccc([N+](=O)[O-])cc1C=O 13574127 IXPLIRSFJJRNJX-UHFFFAOYSA-N 367.411 4.554 30 40 FJEB C=C(C)c1nc(C#N)c(N/N=C/c2ccc(OCCCC)c(OCC)c2)o1 27562327 TZXLUDVNJLNXPI-LPYMAVHISA-N 368.437 4.603 30 40 FJEB CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccccc1 100233537 LBWBXBATWYAAST-CAUPHXMNSA-N 367.430 4.609 30 40 FJEB C=CCNC(=O)c1ccc(OCC)c(CSc2ccc(Cl)cc2)c1 224670049 KQDXMMCYWAPPEQ-UHFFFAOYSA-N 361.894 4.947 30 40 FJEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(C#N)c1 225844825 IPCPHRSITVUKPE-UHFFFAOYSA-N 360.498 4.763 30 40 FJEB O=C(O)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 408910181 JLQNMFMCURKHJY-UFFVCSGVSA-N 369.760 4.747 30 40 FJEB CCOC(=O)Cn1c(C)c(/C=C/C(=O)c2ccc(C)cc2)c2ccccc21 408692613 QQSZGSACCOGYOX-BUHFOSPRSA-N 361.441 4.717 30 40 FJEB C=CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 409332695 QZSVTCOMIRMRPA-GHRIWEEISA-N 353.468 4.657 30 40 FJEB C/C(=C1/C(=O)C[C@H]2[C@H]1C2(C)C)N(Cc1ccccc1)C(=O)c1ccccc1 2144765 XXGFUSUNUFURBD-YKZDWTKESA-N 359.469 4.848 30 40 FJEB Cc1cc(O)cc2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2 26461529 UABYDFKVZNKODA-PXNMLYILSA-N 371.186 4.826 30 40 FJEB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@@H](C)C1 225833187 YCOZRJIXAJZZCC-VWKPWSFCSA-N 358.482 4.659 30 40 FJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 226332761 ZXUZLEDQTMXIJK-KPKJPENVSA-N 373.246 4.771 30 40 FJEB O=C1/C(=C\c2ccc(I)cc2)Sc2ccccc21 408720535 TXCLLHWGASNLIG-NTEUORMPSA-N 364.207 4.621 30 40 FJEB Cc1ccccc1NC(=O)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21 1403288 JAZXSGDFRCLAAT-GFMRDNFCSA-N 371.396 4.626 30 40 FJEB CCCCCCCCOC(=O)c1cccc(NC(=O)c2ccncc2)c1 3030679 XAHSYKGXAQKGMC-UHFFFAOYSA-N 354.450 4.851 30 40 FJEB CSc1cccc(N(C)/C(N)=N/c2cc(SC)ccc2Cl)c1 5423063 JHVHEDNLONERHY-UHFFFAOYSA-N 351.928 4.866 30 40 FJEB investigational CCN1C(=O)/C(=N/c2cccc(Cl)c2)c2cc(Br)ccc21 6496966 YMPGZAIYDJAHAS-XDJHFCHBSA-N 363.642 4.590 30 40 FJEB Cc1ccc(NC(=O)CSc2nc(-c3ccco3)ccc2C#N)cc1C 12250980 UNEKNJZMBBBGAB-UHFFFAOYSA-N 363.442 4.561 30 40 FJEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)nnc1C1CC1 12777703 NCVLQDFFIAKYOB-CQSZACIVSA-N 370.522 4.584 30 40 FJEB CC1(C)CC(=O)C(=CNc2nc3ccc4ccccc4c3s2)C(=O)C1 13999590 DMVSITPTVDBUDC-UHFFFAOYSA-N 350.443 4.704 30 40 FJEB C[C@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@@H](C)N1Cc1ccccc1 16790340 QAGILMRZNWONPW-ROUUACIJSA-N 352.522 4.879 30 40 FJEB C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cccs2)C3=O)C1 20647501 NCMRWOGLPHBUSW-KLAYFECZSA-N 369.486 4.548 30 40 FJEB biogenic CCOc1cccc(/C=N/c2ccccc2OC(F)(F)C(F)F)c1O 100222678 CJBAODVYTJIDRZ-LSHDLFTRSA-N 357.303 4.778 30 40 FJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 102583092 YXOMFUJIVKSXHG-SELCWUDQSA-N 369.848 4.562 30 40 FJEB CCN(CC)c1ccc(C=NNc2ccc(Cl)c(Cl)c2)c(O)c1 249840979 SNYJBBZSYYCSAF-UHFFFAOYSA-N 352.265 4.991 30 40 FJEB COc1cc(Cl)c(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1OC 408933040 GXUFJQOOFPIKBK-NKVSQWTQSA-N 358.747 4.822 30 40 FJEB Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1C 409215607 CEZCFYCTGZVPER-JCMHNJIXSA-N 365.454 4.822 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N(c1cccc(O)c1)C1=C(C2)C(=O)CC(C)(C)C1 2271700 SORQJVXVJYVHSM-UHFFFAOYSA-N 365.473 4.889 30 40 FJEB COc1cc2c(cc1/N=C/c1cc([N+](=O)[O-])ccc1O)oc1ccccc12 2311575 MYJMWOKZVJRRPV-SRZZPIQSSA-N 362.341 4.959 30 40 FJEB Cc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c(C)c1 4124981 DXWPSNAKDJGBJV-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 4554797 MJYPMNUPXCYEEQ-ZDUSSCGKSA-N 354.475 4.786 30 40 FJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(CC)cc1 4918811 SVVGENASNDJHSL-YLJYHZDGSA-N 354.471 4.630 30 40 FJEB C=CCn1c(SCc2ccc(F)cc2)nc2sc3c(c2c1=O)CCC3 5212695 ORLVUELJVYHCKY-UHFFFAOYSA-N 372.490 4.564 30 40 FJEB COc1cc(/C=C/C(=O)c2cc3cccc(OC)c3o2)cc(Cl)c1O 7716097 DTCGIKFLWNDOHP-VOTSOKGWSA-N 358.777 4.705 30 40 FJEB Cc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 12556264 YBSDUCXQFKNWLA-HNNXBMFYSA-N 367.518 4.945 30 40 FJEB C=CC/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C/c1ccsc1 12660987 DNPFSUUCGFLNNH-UISDIUMDSA-N 359.907 4.900 30 40 FJEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(C(=O)OCC)c2)cc1 44843059 LTWNUNWKNBNHHL-BUHFOSPRSA-N 367.445 4.851 30 40 FJEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2c(C)ccc(C)c21 46085256 FGYLLLQQKZPESE-ATJXCDBQSA-N 366.461 4.598 30 40 FJEB C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)c1 225709767 LRRNMCHLNQZTEG-QFIPXVFZSA-N 365.473 4.926 30 40 FJEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2C)c(OC)c1 226335332 FMOXUVRRFRQZSR-MDZDMXLPSA-N 372.848 4.978 30 40 FJEB C#CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br 408611510 SPIQJBLZEUIKPE-UHFFFAOYSA-N 368.633 4.866 30 40 FJEB CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O 2342170 VIKVZADFICWSDY-WLDAGKKMSA-N 365.502 4.629 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 4033276 RDVDZMNXLDPNEN-SFHVURJKSA-N 359.473 4.695 30 40 FJEB Cc1ccc(-c2csc3ncnc(N/N=C/c4ccccc4O)c23)cc1 4147402 KETQUXPVTOJLHY-AUEPDCJTSA-N 360.442 4.818 30 40 FJEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 5013619 PZGRSXGDVIXIIZ-YPKPFQOOSA-N 360.438 4.854 30 40 FJEB N#Cc1ccc(COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 5834161 DVKVJYOPHRXCQA-UHFFFAOYSA-N 356.425 4.732 30 40 FJEB NC(=O)c1c(/N=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 59720344 WAMMIDDIJPEGJH-DNTJNYDQSA-N 353.274 4.783 30 40 FJEB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(CC#N)cc1 225659239 XCTJJJCUEJJSCX-MRXNPFEDSA-N 351.519 4.795 30 40 FJEB O=C(c1cc(F)ccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242802 IJRPZBSLEXJINV-UHFFFAOYSA-N 360.122 4.616 30 40 FJEB COc1ccc(/C=C2\CCc3c(n(C)c4ccc(C)cc34)C2=O)cc1OC 977946 QLCHDWWUTIKNJP-FOWTUZBSSA-N 361.441 4.716 30 40 FJEB Cc1cc(/C=N/N=c2/[nH]c3ccccc3s2)c(C)n1-c1ccc(F)cc1 1267227 KVJQFUOVRDTKOW-WSDLNYQXSA-N 364.449 4.711 30 40 FJEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(OCCC(C)C)cc1)O2 2705049 HRGWIQOFWJGDFP-UDWIEESQSA-N 366.413 4.514 30 40 FJEB C=C(C)Cn1c(SCc2ccccc2Cl)nnc1-c1ccncc1 16788644 IXPYFZIQIFHWHN-UHFFFAOYSA-N 356.882 4.862 30 40 FJEB C=C(C)COc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 219787480 JTQZOTHMYVMADP-UHFFFAOYSA-N 364.489 4.562 30 40 FJEB N#Cc1nc(COc2ccccc2Cl)oc1NCc1ccc(F)cc1 730237 VZLCPUUWAPSVCO-UHFFFAOYSA-N 357.772 4.530 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1Cl 4664173 ACJLBUNWVCDQJV-LICLKQGHSA-N 372.877 4.857 30 40 FJEB CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 4904505 OSXNECNAZOIBEG-OJIBODITSA-N 365.502 4.548 30 40 FJEB N#Cc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1Cl 5077970 CRDMQOHNTWQZLK-UHFFFAOYSA-N 370.783 4.961 30 40 FJEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 5158031 ARTAUOKYENCRIT-WJDWOHSUSA-N 357.431 4.513 30 40 FJEB Cc1cc(C)cc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c1 5408944 FUMXJKKWTHVUCP-WYMPLXKRSA-N 354.413 4.741 30 40 FJEB CCc1ccc(/N=C2/S/C(=C/c3ccccc3O)C(=O)N2CC)cc1 12630347 AFOZKEYNMPCSOC-KXNKKEQVSA-N 352.459 4.579 30 40 FJEB Cc1sc2nc(CN3CCCC3)nc(Oc3ccc(C#N)cc3)c2c1C 12773146 XVIWHQBEDVKTLF-UHFFFAOYSA-N 364.474 4.568 30 40 FJEB CCCCc1ccc(NC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 15504683 OGOJZEKIEBOYBF-UKTHLTGXSA-N 364.445 4.592 30 40 FJEB C[C@H](/C=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 16711758 FEORWCNDVOABGO-LPXFMOJISA-N 352.419 4.920 30 40 FJEB O=[N+]([O-])c1ccc(/N=C(/Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 16998659 YJONYNIWMKINQX-UHFFFAOYSA-N 362.345 4.693 30 40 FJEB CC(=O)Nc1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 100070256 CKVVFMDNTZUDES-ZVHZXABRSA-N 355.441 4.916 30 40 FJEB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N 225761300 MLXVWPIDHIXSAO-UHFFFAOYSA-N 366.436 4.937 30 40 FJEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1C 408857178 JWHLUCQDNIEEEW-YVLHZVERSA-N 372.877 4.857 30 40 FJEB Cc1ccc(N2C(=O)C[C@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1 1079545 ZVHKSMZTELDOKM-GOSISDBHSA-N 360.457 4.554 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N=C1C(=C(O)c3ccccc31)[C@H]2c1cccnc1 4648336 BXHOZBZIOYKSEB-SFHVURJKSA-N 356.425 4.594 30 40 FJEB CCc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N 4849024 DCOSLLCJWSNUJT-UHFFFAOYSA-N 361.470 4.708 30 40 FJEB Cc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 5191194 PXQIGOCUYVUEDI-UHFFFAOYSA-N 356.516 4.928 30 40 FJEB COc1ccc(Nc2nn3c(C)cc(-c4ccc(C)cc4)nc3c2C#N)cc1 6550310 VBERJWJCYVLNJT-UHFFFAOYSA-N 369.428 4.637 30 40 FJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)cc1 6613706 ARQNCERYCFLVOW-RGEXLXHISA-N 359.454 4.677 30 40 FJEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 7939552 RMTNCLUCWFUYMF-JXMROGBWSA-N 367.332 4.899 30 40 FJEB Cc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1[N+](=O)[O-] 8811470 CIXPODWANUFCGF-WSDLNYQXSA-N 369.808 4.940 30 40 FJEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(C(C)C)cc2)cc1 13693255 QVQQZEQAVZQWLE-UHFFFAOYSA-N 363.417 4.677 30 40 FJEB Cc1ccc(NC(=O)COc2ccc(/C=N\Nc3ccccc3)cc2)cc1C 36047215 SMJLCIHKGKZGLH-IWIPYMOSSA-N 373.456 4.767 30 40 FJEB Cc1cc(F)ccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101473873 LZIRTAXPNSRCKE-UHFFFAOYSA-N 356.159 4.785 30 40 FJEB C=CCSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 219805550 AOUSGLVDXROXJH-UHFFFAOYSA-N 372.921 4.581 30 40 FJEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)NC1CCCCC1 408804380 FECZKLAPWSXKOO-UCQKPKSFSA-N 370.880 4.918 30 40 FJEB Cc1ccc(/C(Cc2ccccc2)=N/OC(=O)Nc2ccccc2)c(O)c1 5542517 ZCPIQDIEKZEEPT-HIXSDJFHSA-N 360.413 4.896 30 40 FJEB Cc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c(C)c1C 18335854 IEEKZANGGDHMIG-UHFFFAOYSA-N 354.519 4.756 30 40 FJEB COc1ccccc1CN/N=C/c1cccc(OCc2ccc(F)cc2)c1 20762909 QWMLWHCCUUPHLR-ZVHZXABRSA-N 364.420 4.537 30 40 FJEB OC1=NC(=N/c2cccc(F)c2)/C(=C/c2cccc3nccnc23)S1 72401778 SQACYCFYFUKIGL-DHDCSXOGSA-N 350.378 4.501 30 40 FJEB CC1=NOC(=O)/C1=C/c1ccc(OCc2cc(C)cc(C)c2)c(Cl)c1 408937724 JQKIVGSAHSUUDT-RQZCQDPDSA-N 355.821 4.852 30 40 FJEB C/C(C[C@@H](O)c1cc(Cl)cc(Cl)c1OCc1ccccc1)=[N+](/C)[O-] 1398686 JIWHNIHEQWMNSP-KKJJZKEWSA-N 368.260 4.597 30 40 FJEB CCCOc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1 1780622 PUTQZVJGURWEEG-LPYMAVHISA-N 366.490 4.550 30 40 FJEB Cc1ccc(/N=C/c2c(Nc3ccccc3)nc3c(C)cccn3c2=O)cc1 2476041 YUIKLHIMFZHJFF-BUVRLJJBSA-N 368.440 4.806 30 40 FJEB CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)c(OCC)c1 9195900 BZTJUVZTVUZVIN-SRZZPIQSSA-N 367.276 4.915 30 40 FJEB Cc1noc2c1[C@H](c1ccccc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 13655810 OGILBNNCZIBGHL-IERDGZPVSA-N 372.424 4.647 30 40 FJEB F[C@H](C(F)(F)F)C(F)(F)COc1ccc(NCC(F)(F)F)cc1 103597990 VLPGIYGCTIPOGZ-VIFPVBQESA-N 355.200 4.575 30 40 FJEB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCCCC1 225851983 XQGOOHUKQPXQMB-MRXNPFEDSA-N 358.482 4.804 30 40 FJEB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 4700411 YLYHAVZQLDOIDV-JTQLQIEISA-N 360.866 4.659 30 40 FJEB N#Cc1ccc(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 6225568 YNDGUFCTLZMSNF-UHFFFAOYSA-N 368.771 4.565 30 40 FJEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccc(F)cc3)N=C2O)c1 6641986 QNZBZVMAPWLCME-YBEGLDIGSA-N 358.394 4.575 30 40 FJEB C=C(C)Cn1cnc2c(oc3nc(C4CCCCC4)c4c(c32)CCC4)c1=O 32089715 SBGAZOXJOOIZHY-UHFFFAOYSA-N 363.461 4.650 30 40 FJEB COc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461351 PUYIVSBGDIAMIJ-LNSJNNGNSA-N 352.415 4.886 30 40 FJEB CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)c1cccc(C#N)c1 63830916 SSXXRUOIFCWLBM-UHFFFAOYSA-N 353.834 4.612 30 40 FJEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 224700370 OZEPMSZISOMTOP-UHFFFAOYSA-N 371.502 4.698 30 40 FJEB C=CCOc1ccc(NC(=S)NCCSc2ccc(C)cc2)cc1 225287004 FSKHZUDCIHGGQA-UHFFFAOYSA-N 358.532 4.639 30 40 FJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C#N)cc3)c2C)cc1 408779323 VCXJEMMGRNHJHH-MFKUBSTISA-N 371.440 4.893 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C)cc1 408909402 HIZNJNHUFBYLOH-NFYBBCHUSA-N 366.486 4.936 30 40 FJEB CN(C)c1ccc(/C=C2\CCC/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 6027029 DZCZGWHSBWZLQT-CBSGOVTASA-N 362.429 4.881 30 40 FJEB N#Cc1ccccc1OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 24047287 ZEPQGRIZPMSPSG-JOCHJYFZSA-N 361.372 4.884 30 40 FJEB CCCCCCC[C@@H](O)CC(=O)O[C@H](CCCCCCC)CC(=O)O 87527752 ZFPAFAWFRTWCSK-QZTJIDSGSA-N 358.519 4.845 30 40 FJEB biogenic,in-vitro CCCCCCCCCN(CCCCCCCCC)C(CO)(CO)CO 97942927 YSDNYPIFRUEQLX-UHFFFAOYSA-N 373.622 4.505 30 40 FJEB CCCCCCCCCCCCC(=N)NS(=O)(=O)c1ccc(N)cc1 104344810 LNPRVMGRULVZFO-UHFFFAOYSA-N 367.559 4.835 30 40 FJEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(F)cc2)c1C 408779165 AYQRWHNURHVGBE-UUYOSTAYSA-N 367.380 4.901 30 40 FJEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1 2634710 CKPKWILKGYBRAW-UHFFFAOYSA-N 364.351 4.521 30 40 FJEB N#Cc1ccc(-c2ccc(F)cc2)n(Cc2cccc(C(F)(F)F)c2)c1=O 4002102 UOPKKBSUYAZFIA-UHFFFAOYSA-N 372.321 4.593 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)CCSc3ccccc3)n2)cc1 4078585 GQRDJOFUZXQHOS-UHFFFAOYSA-N 365.483 4.803 30 40 FJEB Cc1cccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1 4849148 FTAANAVQLOEEQM-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB N#Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 5575490 UMGLRZGYMBVGDU-UHFFFAOYSA-N 359.863 4.552 30 40 FJEB N#CCCCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 7779639 UFVCHEZHKWSNSN-UHFFFAOYSA-N 366.465 4.918 30 40 FJEB N#Cc1ccccc1OCc1csc(COc2ccc(Cl)cc2)n1 11239738 ZKCZWQRYCFYYEY-UHFFFAOYSA-N 356.834 4.826 30 40 FJEB C=CCC(C(=O)Nc1ccc(OC)nc1)(c1ccccc1)c1ccccc1 225935641 SJUOVZSJKVCKKB-UHFFFAOYSA-N 358.441 4.591 30 40 FJEB C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 1536540764 AMEAIFVDKYWZTK-QVKFZJNVSA-N 371.402 4.887 30 40 FJEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)ccc1O 12419077 DNNAZUFXTGROKI-OAQYLSRUSA-N 372.424 4.514 30 40 FJEB COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccccc3)ccc2C1=O 12858093 ZMRFYBDLOAWTRY-BKUYFWCQSA-N 372.376 4.531 30 40 FJEB biogenic COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1 13381833 XQZVHESVZCKBJB-FUIYNFKPSA-N 364.533 4.802 30 40 FJEB COc1cccc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c1 17073070 RWGCCTDUMGCACU-LLPDMMGZSA-N 352.459 4.546 30 40 FJEB C=CCCC1(C(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 165350198 SWNGYZMUGPIWEB-UHFFFAOYSA-N 373.493 4.713 30 40 FJEB C=CCOc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1Cl 408610977 PHQFLFNFVNQURZ-UHFFFAOYSA-N 352.217 4.869 30 40 FJEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 408703819 YINRVGCMNRHMEC-OAHLLOKOSA-N 359.853 4.928 30 40 FJEB N#Cc1nc([C@H]2C[C@@H]2c2cccc(F)c2)oc1N1CCc2ccccc2C1 1775975574 IVDHYFAIMAQJHI-MOPGFXCFSA-N 359.404 4.519 30 40 FJEB CC(=O)/C(=C\n1c(=S)sc2ccccc21)C(=O)Nc1ccccc1C 5579787 TZDWRHSGVABMAW-SDNWHVSQSA-N 368.483 4.809 30 40 FJEB C[C@H]1C[C@@H](C)CN(C/C(O)=N/c2nc(-c3c[nH]c4ccccc34)cs2)C1 12568410 SMTGSHJWNMDDKA-OKILXGFUSA-N 368.506 4.857 30 40 FJEB N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3F)s2)cc1 12765041 SOEGLYDCAFRAMN-UHFFFAOYSA-N 371.824 4.650 30 40 FJEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1cccc(C)c1 14091781 FZLYHBRGTITSRN-UHFFFAOYSA-N 365.502 4.664 30 40 FJEB C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2 65880784 NGKNDMQKLYNKOB-HZPDHXFCSA-N 363.505 4.617 30 40 FJEB C=CCn1c(C)c(/C=N/Nc2nc3ccccc3n2CC)c2ccccc21 408692898 XYTWPJGJSODDDS-HZHRSRAPSA-N 357.461 4.951 30 40 FJEB C#CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1OC 409134353 OWGIOAXNTLQKAF-UHFFFAOYSA-N 374.278 4.699 30 40 FJEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3C)cc2)cc1 409202923 UIIOMZYHGPPGFR-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB O=[N+]([O-])c1ccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)c([N+](=O)[O-])c1 4017670 ZEZWYFUNKDUQDW-PXLXIMEGSA-N 371.352 4.653 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CCN3CCCCCC3)CC[C@@H]21 4027788 UWQHCHABBAIPPF-BGWNEDDSSA-N 367.533 4.963 30 40 FJEB O=C1C(Cl)=C(NCCC23CC4CC(CC(C4)C2)C3)C(=O)c2ccccc21 4285093 YIEBMVXUICPODF-UHFFFAOYSA-N 369.892 4.712 30 40 FJEB CCCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O 4936658 WLIWPBVCFXANCQ-IQRJPBLOSA-N 365.502 4.711 30 40 FJEB Oc1ccc(/C=N/Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 5024583 VXXOGSYGZVAVLQ-YDZHTSKRSA-N 358.376 4.588 30 40 FJEB CSc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 5445375 KGSFHCQQZLGLEY-DJKKODMXSA-N 355.341 4.782 30 40 FJEB COc1cc(C#N)cc(Br)c1OCc1ccccc1Cl 6180898 XXKDGXOFBMEBHR-UHFFFAOYSA-N 352.615 4.562 30 40 FJEB COc1ccc(Cl)cc1-c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 6606632 IKPNWFRKMQAZJM-SRZZPIQSSA-N 366.808 4.931 30 40 FJEB CCc1cccc(/N=C(\O)CN(C)Cc2ccc(C(F)(F)F)cc2)c1 82049831 KIECFHAOYDWBII-UHFFFAOYSA-N 350.384 4.988 30 40 FJEB N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(O)c(Cl)c3)c2)cc1 95395321 VCEDMGSVEAMRAB-UHFFFAOYSA-N 364.788 4.962 30 40 FJEB CCOc1ccc(OCC)c(/N=C/c2cc(Br)ccc2O)c1 100037640 MYDHKKIUKIXFHX-YBFXNURJSA-N 364.239 4.703 30 40 FJEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C/c1ccc(O)cc1 100859432 QXAAMJKVRJWZQQ-XIVPUQJGSA-N 369.877 4.696 30 40 FJEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 213167321 NSUVJLRSLFLHCM-BIXZQSIESA-N 352.459 4.628 30 40 FJEB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(C#N)cc2F)c1 408624038 WSUGWLRXUGSHOO-UHFFFAOYSA-N 373.387 4.510 30 40 FJEB CCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cc1Cl 408781685 CXKFYEQOEMBIPV-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB Cc1ccc(/C=C2\S/C(=N/c3cccc(Br)c3)NC2=O)cc1 4695911 ZIVZRTPYKNHEEL-DHDCSXOGSA-N 373.275 4.649 30 40 FJEB CCN(CC)c1ccc(/C=N/Nc2ccccc2C(F)(F)F)c(O)c1 4867912 YLWYGEYSISGDKY-WSDLNYQXSA-N 351.372 4.703 30 40 FJEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccc(F)cc3)C(=O)N=C2S1 8452941 DQPBLMYRFPXVOT-MXJHRONDSA-N 372.469 4.805 30 40 FJEB N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](COCc1ccccc1)c1ccccc1 72293831 UWWWJJQBMDPAPY-QFIPXVFZSA-N 373.412 4.836 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)cc3)S2)cc1 408962692 JGOBNZBGSGJRGH-LDADJPATSA-N 352.459 4.674 30 40 FJEB COc1cccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(C)C2=O)c1 4660308 ZXDRPVLCYZNHLP-KDWIEBRMSA-N 352.459 4.546 30 40 FJEB O/N=C1C(=C\c2ccc(F)cc2)/CCC[C@@H]/1[C@H](NO)c1ccc(F)cc1 5891866 UXDMUBQZCGHXNL-JWUDJUKOSA-N 358.388 4.699 30 40 FJEB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2ccc(C#N)cc2)cc1 7597470 NQEKCUHRCINBPE-UHFFFAOYSA-N 360.369 4.721 30 40 FJEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)s3)S2)cc1 18255111 SVSNYFWTXRPFQP-LCYFTJDESA-N 364.879 4.692 30 40 FJEB COc1ccc(N/N=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc1 408727325 ZYHUPUBERJUYEO-GFMRDNFCSA-N 358.397 4.523 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21 2087769 RDKWTBULQNEFPV-KIFXHHALSA-N 368.541 4.718 30 40 FJEB C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1OC 6077024 UESVCENYQPHUSI-FMIVXFBMSA-N 363.486 4.945 30 40 FJEB CCOc1ccc(/N=C2\S[C@@H](C)C(=O)N2c2ccc(OCC)cc2)cc1 6606400 WKVYFOQOQCEYOQ-WBOBJJNYSA-N 370.474 4.640 30 40 FJEB Cc1cc(CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)no1 8720656 LJIRNQPOMHIQKR-UHFFFAOYSA-N 351.431 4.681 30 40 FJEB COc1ccc(/C=C\C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OC)c1 12855724 ZPAKPLAXWMUMQU-LCYFTJDESA-N 368.429 4.551 30 40 FJEB Clc1ccc(/N=C2\N/C(=N\c3ccc(Cl)cn3)c3ccccc32)nc1 17108116 FEYVBCVEXZYFQO-UHFFFAOYSA-N 368.227 4.543 30 40 FJEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 30940603 CEZFISYLTGFJRA-UHFFFAOYSA-N 364.489 4.880 30 40 FJEB C/N=C1/S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1C 59105116 TXCGWLNKJZHLOZ-CZXVDXGMSA-N 367.257 4.785 30 40 FJEB C=CCc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc(OCC)c1O 59679481 ULHNBASGHGVVIN-RGVLZGJSSA-N 360.797 4.832 30 40 FJEB COc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)c2ccccc23)ccc1O 104171219 DWYMHALUOYUEEF-LJQANCHMSA-N 373.408 4.543 30 40 FJEB O=C(O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1Cl 408852421 FNVXSAMLSKJQNG-GXHLCREISA-N 358.608 4.861 30 40 FJEB CC(C)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409095467 HVIHTKVTEPYZMB-GIJQJNRQSA-N 363.211 4.937 30 40 FJEB O=C(O)c1ccc(COc2ccccc2/C=N\OCc2ccccc2)cc1 4546063 LEGACIYNUPJCTF-UCQKPKSFSA-N 361.397 4.515 30 40 FJEB COc1ccc(C(=O)/C=C/c2ccc(NC(=O)c3cccs3)cc2)cc1 4823006 DMBRCOKDJYAOTI-AWNIVKPZSA-N 363.438 4.905 30 40 FJEB C=CCn1c(S)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 5442988 ZXOWZIPIVCJZBG-UHFFFAOYSA-N 358.470 4.943 30 40 FJEB N#C[C@@]1(c2nc3ccccc3s2)Cc2c(F)cccc2N2CCCC[C@@H]21 6347150 FGTDCMHCEWBVMQ-CTNGQTDRSA-N 363.461 4.812 30 40 FJEB COc1ccccc1C(=O)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 13406595 LNDLBUYMCOMVRK-SSZFMOIBSA-N 358.393 4.811 30 40 FJEB N#Cc1ccc(-c2ccc(OC(=O)Cc3noc4ccccc34)cc2)cc1 19198660 LDQZFGFGCXJKKY-UHFFFAOYSA-N 354.365 4.515 30 40 FJEB Cc1cc(C)c(C#N)c(SCc2noc(-c3ccc(Cl)cc3)n2)n1 29292537 HCEFYMQOAYPNOS-UHFFFAOYSA-N 356.838 4.566 30 40 FJEB CCOc1ccc(NC(=S)N/N=C2/CCCc3c(C)cc(C)cc32)cc1 33958503 AHQQKQLLKIAWQH-ATJXCDBQSA-N 367.518 4.729 30 40 FJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1O 57218393 CGFNNXBOTIAHER-UDWIEESQSA-N 359.813 4.695 30 40 FJEB C=CCOC(=O)c1ccc2oc(-c3ccccc3Br)nc2c1 73634053 PUYGOHKPQSAONP-UHFFFAOYSA-N 358.191 4.600 30 40 FJEB CCOc1ccc(C(=O)/C=C/c2cccc(SC(=O)N(C)C)c2)cc1 95469217 ZIZGAOFDNCMGQE-MDWZMJQESA-N 355.459 4.755 30 40 FJEB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)Oc2ccccc21 96766952 ODZMXSBERDTNTC-SLTDHEAWSA-N 357.365 4.995 30 40 FJEB COc1cc(/C=C2/CCC/C(=C/c3cccs3)C2=O)cc(OC)c1OC 96919960 AXYGHSQDGXQXNB-YACBYWNISA-N 370.470 4.994 30 40 FJEB O=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)c(Br)c1 100456660 YQCDYYJFDCNKLL-VXLYETTFSA-N 371.190 4.967 30 40 FJEB CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cc(C)cc(C)c1 408933783 BHTUZYJHZWJSKZ-YBFXNURJSA-N 365.429 4.597 30 40 FJEB CCn1c(C)cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c1C 409093838 ATRBFMKQEWHVSQ-WQRHYEAKSA-N 353.491 4.633 30 40 FJEB C#CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1Cl 409122117 ZHTNRCHCAIVUNT-PDGQHHTCSA-N 365.860 4.895 30 40 FJEB N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 3253186 CBAOXQQPGPDLJN-HXUWFJFHSA-N 359.816 4.983 30 40 FJEB COc1ccc(/C(C)=N/Nc2ccnc3cc(Cl)ccc23)c(OC)c1 7949608 CBDWAQCPHFHQQG-WSDLNYQXSA-N 355.825 4.742 30 40 FJEB Cc1ccsc1/C=C1\S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O 15016265 YCDYJGKTGRYRPN-JYRVWZFOSA-N 368.405 4.967 30 40 FJEB CN1CCc2nc(SCc3ccccc3)c(C#N)c(-c3ccccc3)c2C1 19889335 BVNZLEVITXOIKI-UHFFFAOYSA-N 371.509 4.900 30 40 FJEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 29748864 KZODRXIQXBCGFB-OAHLLOKOSA-N 357.450 4.956 30 40 FJEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(-c2ccccc2)cc1 100844415 OEXUTRAFLGMEKV-DARPEHSRSA-N 354.413 4.544 30 40 FJEB C=C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927800 WHUVCKHSKYGQND-ZEPKUMPTSA-N 358.522 4.798 30 40 FJEB COc1ccc(-n2cccc2/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1 408952759 MOTGZRIUBBFDOQ-MTJSOVHGSA-N 354.793 4.588 30 40 FJEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(O)c(O)c3)c2C#N)C1 409213213 RNIRTKDZYWPNOU-MYSNOUKZSA-N 354.475 4.933 30 40 FJEB N#Cc1cc(-c2ccccc2)oc1NC(=O)c1ccc(Br)cc1 948984 ZVLUSSHEYXGRDW-UHFFFAOYSA-N 367.202 4.833 30 40 FJEB N#CC[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 1396840 XKTISVZHSOOKRI-QGZVFWFLSA-N 359.351 4.750 30 40 FJEB COc1cc(Cl)c2[nH]cc(CC/N=C/c3ccc(N(C)C)cc3)c2c1 3670018 POYNTOYIAULXIB-WSDLNYQXSA-N 355.869 4.558 30 40 FJEB C=CCOc1ccc(CNc2ccc(NC(=O)CC(C)C)cc2)cc1OC 4661530 ODMDJACPXDOZDE-UHFFFAOYSA-N 368.477 4.857 30 40 FJEB CCOc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 6409332 DREOLGWDNKXBLM-UHFFFAOYSA-N 372.424 4.641 30 40 FJEB N#Cc1ccccc1-c1ccc(COc2ccc(Cl)cc2C(N)=O)cc1 12889117 LMJNLOLKWPLNCU-UHFFFAOYSA-N 362.816 4.557 30 40 FJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cccs2)cc1 17429175 MFODKBFVLHOKCF-CPNJWEJPSA-N 356.472 4.608 30 40 FJEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1cccs1 18158215 SDBDUHXFEGNKIY-KPKJPENVSA-N 355.271 4.947 30 40 FJEB CCCC(/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C\c1ccccc1 104183212 YOYNMFXOWHXUMO-PQHZQKCXSA-N 354.366 4.784 30 40 FJEB N#Cc1c(F)cccc1SCc1ccc(OCc2cccnc2)cc1 567552984 DBHAYQOTOOAVRL-UHFFFAOYSA-N 350.418 4.964 30 40 FJEB Cc1ccc(S(=O)(=O)/N=C(/Nc2ccccc2)c2ccccc2C)cc1 3898432 XARKCHGIRQTRQC-UHFFFAOYSA-N 364.470 4.551 30 40 FJEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 9418762 YVHQDVSLPUJQIM-LXBAEQJTSA-N 374.417 4.983 30 40 FJEB CCCCCCCC1=C(Br)C(=O)c2cccc(O)c2C1=O 70673564 MEBRCRWMBFUEDT-UHFFFAOYSA-N 351.240 4.781 30 40 FJEB biogenic Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3Br)S2)cc1 408965261 JRGUCVMKYHITON-XNTDXEJSSA-N 373.275 4.649 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 4033354 KOCKLTXACHLDSI-SFHVURJKSA-N 359.473 4.750 30 40 FJEB N#Cc1ccc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1 4860286 UKRWEOBSHHOCSR-UHFFFAOYSA-N 368.352 4.869 30 40 FJEB C=CCn1c(-c2ccccc2)c(NC(C)=O)s/c1=N\c1ccc(C)cc1 27015956 MMTIXFIWOVHPOP-LNVKXUELSA-N 363.486 4.902 30 40 FJEB C#CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 36646328 WNRDSZGUJVKHGG-QHCPKHFHSA-N 372.468 4.921 30 40 FJEB biogenic,in-vitro C=C(Cl)COc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1 40156654 MVSRHXIPDAQAHO-LFYBBSHMSA-N 355.821 4.672 30 40 FJEB COc1cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)ccc1O 59462030 WQJYRVYLDTYCLF-FSJBWODESA-N 364.367 4.770 30 40 FJEB N#Cc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1C(F)(F)F 78774518 RAZCPALCLOHPPB-MRXNPFEDSA-N 360.335 4.647 30 40 FJEB O=C(c1ccc(Br)c(F)c1)C(F)(F)C(F)(F)C(F)(F)F 575362091 AXXXIBYMNHGHRA-UHFFFAOYSA-N 371.021 4.604 30 40 FJEB Cc1nnc(C)c2c(C)n(/N=C/c3cc(Cl)cc(Cl)c3O)c(C)c12 842740 WXZNCQVNCLIOIV-IFRROFPPSA-N 363.248 4.560 30 40 FJEB N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccco2)n1-c1ccccc1 6580206 ACHWOSCKELKYJI-SFHVURJKSA-N 372.453 4.754 30 40 FJEB CCCN1C/C(=C/c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 13590314 VIFODPVYCOAIJX-MGYAYREDSA-N 353.412 4.727 30 40 FJEB N#Cc1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2 30822869 SZXVROSDYVRNFA-UHFFFAOYSA-N 350.487 4.949 30 40 FJEB Oc1ccc2ccccc2c1/C=N\c1ccc(I)cc1 100248213 RUIMFQJQZHKUCC-ODLFYWEKSA-N 373.193 4.901 30 40 FJEB Cc1ccccc1[C@@H](C=O)[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 103116670 GXLSWHSOPYHFSO-FGZHOGPDSA-N 368.432 4.757 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C2/CCCC/C2=C\c2ccccc2)c([N+](=O)[O-])c1 104183167 NYAUQRQETLBWBV-PZBFFVFSSA-N 366.377 4.929 30 40 FJEB COCc1ccc(NC(=O)N2CCC[C@H]2c2c(C)cccc2C)cc1C#N 1616042663 NAULLTARCZBDIJ-FQEVSTJZSA-N 363.461 4.691 30 40 FJEB COc1cccc(/C=N/c2ccc(Br)c(C(F)(F)F)c2)c1O 805789 JSLGLZVZRNVCLU-DNTJNYDQSA-N 374.156 4.933 30 40 FJEB CSc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 10252305 ZPZJJEZWRJWLRX-UHFFFAOYSA-N 356.516 4.792 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1O 13140778 ZYTITJFBHBYHCF-FNORWQNLSA-N 361.235 4.676 30 40 FJEB O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccccc1)c1ccc(Cl)s1 15352990 KRRFSZKSOQHNCJ-UHFFFAOYSA-O 373.910 4.740 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@@H]2c1c[nH]c2ccccc12 18244363 RQAZTPQQFNHWAX-HXUWFJFHSA-N 358.445 4.785 30 40 FJEB C=CCSc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 219812708 BDXXDMHFFLQUQO-UHFFFAOYSA-N 366.530 4.885 30 40 FJEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN[C@H](C)CCc4ccco4)[C@H]3C[C@H]12 248203828 YKAOGMQSLHIEKX-FRTWGHFBSA-N 371.521 4.505 30 40 FJEB C=CCOc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1OCC 408605311 GEIFMDGFHABSRZ-UHFFFAOYSA-N 361.825 4.614 30 40 FJEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccccc1C#N 408741890 OIEGNMIRGIKGCU-BUVRLJJBSA-N 357.413 4.592 30 40 FJEB N#Cc1c(NC(=O)c2ncoc2-c2ccc(F)cc2)sc2c1CCCC2 5001944 RIAKPFUQYSYBIA-UHFFFAOYSA-N 367.405 4.545 30 40 FJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(F)cc3)c12 8343248 WIHWXVQZMPEZMK-JLHYYAGUSA-N 359.404 4.819 30 40 FJEB COc1cccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)c1 13546949 RWGCCTDUMGCACU-RTPYTOBHSA-N 352.459 4.546 30 40 FJEB Cc1ccc(-c2c[n+](CC(=O)c3cccc4ccccc34)c3n2CCC3)cc1 13777610 GAYZWHVVEAAMFO-UHFFFAOYSA-N 367.472 4.733 30 40 FJEB C=CCOc1c(Cl)cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OCC 34746771 BGGBAYGUGMQXEH-SREVYHEPSA-N 364.785 4.679 30 40 FJEB CC(C)=NNc1nc2cc(C(F)(F)F)c(Br)cc2s1 57327563 CYVSJXJXPLPYAA-UHFFFAOYSA-N 352.179 4.885 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1(F)F 169795910 NGEYGRCDNBGSKG-QULHBXTKSA-N 358.175 4.546 30 40 FJEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(-n2c(C)ccc2C)cc1 408741110 NYJHXLAVRRMBJC-VCOZGABYSA-N 370.456 4.835 30 40 FJEB CCc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(Cl)c3)S2)cc1 408786353 ICSCUMYOZCGVEN-GZTJUZNOSA-N 372.877 4.803 30 40 FJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc2c1 1354446 MFEHHWXDLOYSFF-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB CCC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2C)C1=O 4934151 KFGYIMDRBXRGCJ-AVBHYHMMSA-N 371.531 4.691 30 40 FJEB CSc1nc(-c2ccc(C)cc2)c(C#N)c(N(C)Cc2ccccc2)n1 19820665 WRQWKBILPPXOEO-UHFFFAOYSA-N 360.486 4.682 30 40 FJEB COc1cccc(/C=C2\CCOc3cc(Br)ccc3C2=O)c1 23702354 GNCGXFZMNXCHIE-UKTHLTGXSA-N 359.219 4.507 30 40 FJEB C#CCn1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21 408556589 KSANDUCNHKWAMH-HXUWFJFHSA-N 366.873 4.707 30 40 FJEB C=CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC 408610756 SATKWLKNTMBPKP-UHFFFAOYSA-N 362.813 4.824 30 40 FJEB CCCCOc1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1OC 408982042 XKMBYHHQKYYYLH-UHFFFAOYSA-N 373.456 4.887 30 40 FJEB N#Cc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c(F)c1 679742 DAUSYVFMCKNIMO-UHFFFAOYSA-N 366.204 4.866 30 40 FJEB O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 2303136 DIIAGCCUJQJDPE-VXKWHMMOSA-N 370.408 4.828 30 40 FJEB CCc1ccc(NC2=CC(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 4074983 LSUMEPOWVFYOCV-KRWDZBQOSA-N 351.446 4.709 30 40 FJEB CSc1ccccc1NC(=O)CO/N=C(\C)c1cc2ccccc2o1 5980893 WMUUUFWBLYFCSA-FYJGNVAPSA-N 354.431 4.534 30 40 FJEB C[C@H](NC(=O)[C@@H](C)Oc1cccc(C#N)c1)c1ccc(Cl)cc1Cl 6401732 GPHHCLLCOPKOKY-NWDGAFQWSA-N 363.244 4.510 30 40 FJEB Cc1cccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2)c1 12537187 NLWYAAFDKWQLRZ-UHFFFAOYSA-N 369.453 4.661 30 40 FJEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)c1 102801046 MIDXAABMLBTHKZ-MRJHHRETSA-N 369.420 4.621 30 40 FJEB C=CCOc1c(Br)cc(CNc2ccccc2C)cc1OC 409112692 FYJIDWJYQYKMJH-UHFFFAOYSA-N 362.267 4.943 30 40 FJEB O=[N+]([O-])c1cc(/C=N\c2cccc(Cl)c2)ccc1Sc1ncccn1 409122165 ZURYXWPIVPUODP-NHDPSOOVSA-N 370.821 4.940 30 40 FJEB C[C@]12CC[C@@H]3[C@@H]([C@@H](S)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 575417956 NZCDWYJROUPYPT-FAJMYIPBSA-N 374.546 4.502 30 40 FJEB Cc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 12555580 UZQYIDGIXFIGQB-AWEZNQCLSA-N 353.491 4.636 30 40 FJEB O/C(Cn1cc2ccccc2n1)=N/[C@H]1CC2(CCCC2)Oc2ccccc21 330165800 XIBKJTNXLHVSGW-IBGZPJMESA-N 361.445 4.829 30 40 FJEB N#Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c([N+](=O)[O-])c1 4857730 XZJKURQHXIVDCL-UHFFFAOYSA-N 368.352 4.869 30 40 FJEB CN1/C(=C\C(=O)c2ccc(Br)cc2)c2ccccc2CC1(C)C 4977251 AJYRVMDRRGPTNT-PDGQHHTCSA-N 370.290 4.939 30 40 FJEB CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C#N)CCC[C@@]21C 6761477 BELCZLRITOCYFD-BVSLBCMMSA-N 353.462 4.659 30 40 FJEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 12032547 QQVHEJVQWXEUQX-WJDWOHSUSA-N 358.850 4.630 30 40 FJEB COc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1Cl 44843508 QYJBHXXATBXXAP-CMDGGOBGSA-N 366.642 4.920 30 40 FJEB C/C(=N\Nc1oc(C)nc1C#N)c1ccc(Oc2ccccc2)c(F)c1 98055031 NIVCIRGMWANMHC-FSJBWODESA-N 350.353 4.622 30 40 FJEB CCCOc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O 408600541 CUGBEHCVPQNYAG-UYRXBGFRSA-N 366.486 4.984 30 40 FJEB Cc1ccc(C(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 8656816 XAKMBLCZRHRTGI-UHFFFAOYSA-N 371.465 4.951 30 40 FJEB Cc1cccc(N2C(=O)/C(=C/c3ccc(C#N)cc3)c3ccccc3C2=O)c1 33405691 LWVPHWVCUNFQMN-HYARGMPZSA-N 364.404 4.594 30 40 FJEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)cc1 100136904 DGYBJZOKYRXZGG-MRJHHRETSA-N 369.420 4.621 30 40 FJEB CCOc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409217120 RYXMJNXJFORIBB-JLPGSUDCSA-N 374.440 4.853 30 40 FJEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Cl)s1 409405497 NZIJAWIJFDTVQA-UHFFFAOYSA-N 365.845 4.661 30 40 FJEB Clc1ccc(N2CCN(/N=C\c3c(Cl)cccc3Cl)CC2)cc1 4550435 SWTOZMFPYMFHJG-MTJSOVHGSA-N 368.695 4.803 30 40 FJEB COc1ccc(/C(C)=N/Nc2nc(-c3cccs3)cs2)cc1OC 4746627 FGTJAXMVROTRED-YBFXNURJSA-N 359.476 4.725 30 40 FJEB O=C(O/N=C(\c1ccccc1)c1ccncc1)c1ccc(Cl)c(Cl)c1 5772312 LISLUXDUELBCQI-PTGBLXJZSA-N 371.223 4.998 30 40 FJEB Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 12849462 CLMDRUVDCBSORO-LFVJCYFKSA-N 366.424 4.962 30 40 FJEB ClC(/C=N\N1CCN(c2ccc(Cl)cc2)CC1)=C\c1ccccc1 13894612 GKTCKRFZPZONDN-OCTRYVQESA-N 360.288 4.728 30 40 FJEB COc1ccc(C(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1 35289032 KBJXNUFLYBPJIC-UHFFFAOYSA-N 362.454 4.707 30 40 FJEB CC(C)(C)c1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(C(C)(C)C)c1O 96860862 RBHDOHOHQFDYCT-JJFYIABZSA-N 370.453 4.736 30 40 FJEB Cc1ccc(COc2ccccc2/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1 408910503 KRCHIBCNHLNCEN-HMAPJEAMSA-N 361.401 4.928 30 40 FJEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1NC(=O)c1ccccc1 409201349 LRXLSQUYLUWCPZ-UUYOSTAYSA-N 367.836 4.598 30 40 FJEB CC(C)(C)[C@H]1CCc2c(sc(N=C3C(=O)Nc4ccccc43)c2C#N)C1 409210063 HWXDODRSWKMZDS-LBPRGKRZSA-N 363.486 4.844 30 40 FJEB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NCc2cccc(C#N)c2)C1 8636111 QBYGAUOJZWCNKM-FGZHOGPDSA-N 368.484 4.563 30 40 FJEB biogenic,in-vitro COc1cccc(C(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 34791592 OWGGNLJKBLSYPI-UHFFFAOYSA-N 362.454 4.707 30 40 FJEB CCCCCCCOC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O 103621179 DNJUAZCWNOVGPW-UHFFFAOYSA-N 365.429 4.614 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC 219804277 TYOHRJKOHRVZLA-HNNXBMFYSA-N 368.502 4.745 30 40 FJEB COc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc3ccccc23)cc1 254387640 YPVOADOMHXQGSW-UHFFFAOYSA-N 360.442 4.652 30 40 FJEB F[C@@H](C(F)(F)F)C(F)(F)COc1ccccc1NCC(F)(F)F 1083810949 AYFVDWQSXKHAFY-SECBINFHSA-N 355.200 4.575 30 40 FJEB FC(F)Oc1ccc(N/C(S)=N\C23CC4CC(CC(C4)C2)C3)cc1 5560169 RPTQNPTZALUCTC-UHFFFAOYSA-N 352.450 4.955 30 40 FJEB O/N=C(\c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1 5771993 XQQGOFINGXASRT-HYARGMPZSA-N 367.714 4.635 30 40 FJEB N#Cc1cc(Br)cc(Br)c1OCc1ccccc1 6223251 JQQLSCITYFGAHL-UHFFFAOYSA-N 367.040 4.662 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2cc(Cl)c(OC)cc2OC)cc1 51318908 BZXCCBWWNFKDCP-MDZDMXLPSA-N 361.825 4.564 30 40 FJEB C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 71839357 NGKNDMQKLYNKOB-HOTGVXAUSA-N 363.505 4.617 30 40 FJEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1 102803076 MCPDWDYDXZQOJR-MRJHHRETSA-N 369.420 4.621 30 40 FJEB COC(=O)c1cc(/N=C/c2ccc(N3CCCC3)cc2C)ccc1Cl 408959554 AWWAJCXMVMUNJS-LPYMAVHISA-N 356.853 4.786 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 2251806 FFOWDBHYUURFBM-AQTBWJFISA-N 367.495 4.966 30 40 FJEB COc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C#N)c(=O)[nH]2)cc1 5917325 KIAIKGBBWWVLJM-UHFFFAOYSA-N 358.441 4.887 30 40 FJEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 6048592 KPXYKSKSINYSCO-KRXBUXKQSA-N 353.708 4.746 30 40 FJEB N#C[C@H](c1ccccc1O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 12630438 YGDITCBMINIEBS-FGZHOGPDSA-N 353.425 4.808 30 40 FJEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\Nc3ccc(C(=O)O)cc3)cc21 208207925 VJUYOCPFAIUWKU-BXSODOALSA-N 351.450 4.553 30 40 FJEB Cc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)c(C#N)cc2c1 4125280 ILBRVLBHMUWGFA-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB C/C(CC(=O)c1ccccc1)=N/CCC/N=C(/C)CC(=O)c1ccccc1 5502767 FQQYERHFBVGNBV-GJEUYDLNSA-N 362.473 4.844 30 40 FJEB N#Cc1ccc(COC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 7002726 LDROYUDIMHZPBH-UHFFFAOYSA-N 354.365 4.723 30 40 FJEB CCOC(=O)c1cc(Cl)c(OCc2cccc(C#N)c2)c(Cl)c1 24973801 MVHYPACTBNCXEU-UHFFFAOYSA-N 350.201 4.621 30 40 FJEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 408590264 GZZZRSOBRKCSDO-WSDLNYQXSA-N 367.380 4.692 30 40 FJEB Cc1ccccc1CN1C(=O)CS/C1=N/N=C/c1cccc2ccccc12 2358930 GREONZALUIRYEX-BXBPIDJQSA-N 373.481 4.614 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(Cl)c1OC(F)F 13059510 STHXSPKQSRCTCB-FARCUNLSSA-N 354.736 4.552 30 40 FJEB CCCCC(C)(C)[C@H](O)/C=C\[C@@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O 111480693 CTQQHQGBBMYJPT-VMCYUOJWSA-N 364.526 4.916 30 40 FJEB N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 633008 APFOHKPIFBKQSM-UHFFFAOYSA-N 364.408 4.663 30 40 FJEB CCCCCCCc1c(C)[nH]c(Nc2nc(C)c3ccccc3n2)nc1=O 2314544 INDJKGCUHBOBMT-UHFFFAOYSA-N 365.481 4.586 30 40 FJEB N#Cc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 4121708 ZVFNOIVBUKOXPR-NVNXTCNLSA-N 356.859 4.617 30 40 FJEB C(=N/Nc1nncc2ccccc12)\c1ccc(OCc2ccccc2)cc1 4962482 BFHXZYDDHVCSCG-OEAKJJBVSA-N 354.413 4.655 30 40 FJEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1 5775878 NMNFFYMZWTXQNH-OEAKJJBVSA-N 359.816 4.599 30 40 FJEB O=CCCc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1 6565691 OADMTLRGVCYWJT-UHFFFAOYSA-N 366.464 4.855 30 40 FJEB in-vitro CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196771 HYFLDFCUNDJOQG-FQEVSTJZSA-N 365.454 4.702 30 40 FJEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C2 100773691 OMLBVMDSMTUGEU-YZZKKUAISA-N 369.505 4.750 30 40 FJEB C[C@H](C#N)OC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl 2655448 MLCCSAUSWFEGBJ-LLVKDONJSA-N 350.201 4.641 30 40 FJEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Cl)cc1C(F)(F)F)OCO2 3257659 MGKYEYOEQNHBBP-CGOBSMCZSA-N 372.686 4.746 30 40 FJEB C(=N\Nc1ccccc1)\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 4472579 LPNQYEBVVQWIAZ-ALLOTSGKSA-N 359.473 4.548 30 40 FJEB N#Cc1ccc(/C=C/C(=O)N(CCc2ccccc2)Cc2cccs2)cc1 7988414 SQWOENSIMWZWDX-OUKQBFOZSA-N 372.493 4.904 30 40 FJEB COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 8277553 SJOSVJNUNSAROH-MHWRWJLKSA-N 358.850 4.549 30 40 FJEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1 10118792 GAHDIWPOJGDFJM-CIAFOILYSA-N 355.781 4.632 30 40 FJEB C/C(=N/c1cc(C)nn1-c1ccccc1)c1c(C)nn(-c2ccccc2)c1O 16283364 STPKEGVNVDGSPX-KQWNVCNZSA-N 371.444 4.521 30 40 FJEB N#C[C@@H]1[C@H](c2ccccc2OCc2ccccc2)CC(=O)N1c1ccccc1 26896016 WHACCFHOBSITJA-FCHUYYIVSA-N 368.436 4.678 30 40 FJEB Cn1ncc2c1CC/C(=C\c1ccc(Oc3ccccc3F)c(F)c1)C2=O 84310357 BCDXTKFNQVMFOO-GXDHUFHOSA-N 366.367 4.703 30 40 FJEB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931308 OXHFKWFVXTYEGN-ZYHFYXLJSA-N 374.565 4.514 30 40 FJEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)s1 137728126 LCFVPKBXYBSPDZ-HLXRQYPVSA-N 371.531 4.816 30 40 FJEB CCCCc1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1 409237560 VJUQOYWSZBORNF-HAVVHWLPSA-N 352.478 4.625 30 40 FJEB N#Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc2c1CCC2 2465522 YFTKPHVDXSQNNF-UHFFFAOYSA-N 369.833 4.669 30 40 FJEB COc1ccc2c(N3CCC(Cc4ccccc4)CC3)c(C#N)cnc2c1 16841757 USZOGEGMHSASPY-UHFFFAOYSA-N 357.457 4.574 30 40 FJEB C#CCOC(=O)c1ccc2nc(-c3cccc(Br)c3)sc2c1 73635105 PZSGFLJEBHRNDG-UHFFFAOYSA-N 372.243 4.516 30 40 FJEB N#CCc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 105877163 JAWLRSJAPOGHFC-UHFFFAOYSA-N 365.285 4.931 30 40 FJEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 408707865 RTGNYEHGHFOGON-UHFFFAOYSA-N 359.297 4.799 30 40 FJEB COc1ccc(C/N=C\c2cccn2-c2ccc(Br)cc2)cc1 408857716 PKMDKIYSSBQNFV-STZFKDTASA-N 369.262 4.868 30 40 FJEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(C(=O)O)c(Cl)c2)cc1 408952771 MRQGWNQUPHCNPT-LPYMAVHISA-N 367.836 4.646 30 40 FJEB Fc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1N1CCOCC1 409132949 PNQNUJNOCBIJMD-NHDPSOOVSA-N 353.224 4.720 30 40 FJEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 11035935 BUPCELKTQPEPFZ-MRXNPFEDSA-N 358.397 4.757 30 40 FJEB CCOC(=O)c1c(N/C=C2/Sc3ccccc3C2=O)sc(C)c1C 100209430 INYQMKMBYJTJDP-NTEUORMPSA-N 359.472 4.784 30 40 FJEB O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 117737411 CZFKXAUXVAWSHF-UHFFFAOYSA-N 368.195 4.702 30 40 FJEB CC[C@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl 408593349 PILLANHITZUZCH-HSWQHBDASA-N 362.813 4.976 30 40 FJEB O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)Cc2ccccc21 409367995 PKGIUHLYWFYVFZ-CPNJWEJPSA-N 371.392 4.996 30 40 FJEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)c(O)c1 1028073 SFSRMFUXXBSCOY-LPYMAVHISA-N 353.491 4.801 30 40 FJEB CCOC(=O)[C@H](C#N)[C@@H](c1ccc(Cl)cc1)c1c(C)[nH]c2ccccc12 1463355 PVJKDIOOVIGMKS-YLJYHZDGSA-N 366.848 4.965 30 40 FJEB COc1ccc(C(=O)[C@H](C)[n+]2ccc(Cc3ccc(Cl)cc3)cc2)cc1 2684353 YEKIBMGSWXKKCT-INIZCTEOSA-N 366.868 4.671 30 40 FJEB CCN/C(S)=N/N=C\c1c(OCc2ccccc2)ccc2ccccc12 5009758 HLYSMWDATACNKJ-UCQKPKSFSA-N 363.486 4.648 30 40 FJEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14783799 LRMOPPJPFDPVMX-INIZCTEOSA-N 353.462 4.955 30 40 FJEB CSc1nsc(S/C=C\C(=O)c2cccc(Br)c2)n1 16248831 UWIYULMBWJWGPU-WAYWQWQTSA-N 373.322 4.511 30 40 FJEB Cc1cccc(Cc2nn(Cc3ccc(Cl)c(Cl)c3)c(N)c2C#N)c1 225846809 ORKYANXEKAXPGM-UHFFFAOYSA-N 371.271 4.591 30 40 FJEB C=CCN1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)SC1=S 408807645 DCCJPKLAEHQJJG-ATVHPVEESA-N 360.548 4.997 30 40 FJEB COc1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1 408955582 XTGCUAHOMAMKLX-DEDYPNTBSA-N 355.235 4.999 30 40 FJEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(F)c(Cl)c2)c1 409100185 SVJZGVDSLVVWNL-UBKPWBPPSA-N 373.565 4.606 30 40 FJEB CCc1ccc2nc(SCC(=O)Nc3ccc(C)cc3)c(C#N)cc2c1 4848915 PJGMBQVYWHURNA-UHFFFAOYSA-N 361.470 4.708 30 40 FJEB N#CCOc1ccccc1/C=C(\CCC(=O)O)c1nc2ccccc2s1 6870022 KPFAKEKZRZJARP-FYWRMAATSA-N 364.426 4.604 30 40 FJEB COc1cccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)c1OC 7449768 JINXGGQCVZSRLH-NRFANRHFSA-N 367.470 4.970 30 40 FJEB CC[C@H](C)Nc1oc(-c2ccc(COc3ccc(OC)cc3)o2)nc1C#N 8844524 HLIMSOZEORCZGW-ZDUSSCGKSA-N 367.405 4.604 30 40 FJEB COc1ccc(N(Cc2cccs2)C(=O)/C=C/c2ccc(C#N)cc2)cc1 14182945 RLWITXOWHAZUTP-MDWZMJQESA-N 374.465 4.875 30 40 FJEB COc1cc2c(cc1OC)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 18199993 RXFZBYXLUYWDJU-LJQANCHMSA-N 369.486 4.966 30 40 FJEB CN(Cc1ccccc1)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 48319454 FRESLDUVENXTCB-UHFFFAOYSA-N 371.440 4.801 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2ccc(F)cc2Br)cc1 51318871 AFPMCRPVEXEQOD-MDZDMXLPSA-N 364.214 4.795 30 40 FJEB O=C(Nc1ccccc1Nc1ccccc1)/C(O)=C/C(=O)c1ccccc1 100672315 VGMLAGWQIFNUMI-QNGOZBTKSA-N 358.397 4.694 30 40 FJEB COc1ccc2cc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc2c1 575358487 NBHBNJMYRZUWQQ-UHFFFAOYSA-N 354.221 4.864 30 40 FJEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(N(C)C)cc1 1095214 WZTIVUCSRYHWEE-OEAKJJBVSA-N 361.445 4.609 30 40 FJEB Cc1ccc(C[C@@H](C#N)Sc2nnc3c(Cl)cc(Cl)cn23)cc1 6589421 CILFRCDYDFQGKA-ZDUSSCGKSA-N 363.273 4.572 30 40 FJEB N#Cc1cc(Br)ccc1NC[C@H](c1ccco1)N1CCCCC1 95398709 WEVDZXULKJXBRC-QGZVFWFLSA-N 374.282 4.553 30 40 FJEB O/N=C1C(=C\c2ccc(F)cc2)\CCC[C@@H]\1[C@H](NO)c1ccc(F)cc1 104283667 UXDMUBQZCGHXNL-GVXLXYNESA-N 358.388 4.699 30 40 FJEB N#Cc1c(Cc2cccc3ccccc23)nn(Cc2ccc(Cl)cc2)c1N 225840385 AVXMDPPJYSRCTP-UHFFFAOYSA-N 372.859 4.783 30 40 FJEB COc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1 408595493 XDURZKOTVWZWIY-ZVHZXABRSA-N 359.429 4.525 30 40 FJEB O=C1C([S@@](=O)c2ccc(Cl)cc2)=C(O)c2cccc3cccc1c23 707774 GPNGWOBKONOKJA-XMMPIXPASA-N 354.814 4.724 30 40 FJEB O=C(O/N=C(/NCc1ccccc1)c1ccc(Cl)cc1)c1cccs1 3670639 MEZXPBJXYRWVKU-UHFFFAOYSA-N 370.861 4.710 30 40 FJEB CN(C)c1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 5693349 XRUVIHLGHSZWLW-NTUHNPAUSA-N 352.434 4.854 30 40 FJEB aggregator CCn1cc(/C=C2\Oc3c(ccc(OC)c3C)C2=O)c2cc(OC)ccc21 28182672 FTUDZYMGEWQYEO-JMIUGGIZSA-N 363.413 4.603 30 40 FJEB CCCCCCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 112191161 IKDJARVERLUASO-UHFFFAOYSA-N 358.718 4.896 30 40 FJEB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(CC#N)cc2)cc1 225498503 LZMNIRFUCUQQOZ-FQEVSTJZSA-N 367.518 4.835 30 40 FJEB N#Cc1ccc(NCc2nc3ccccc3n2C2CC2)cc1C(F)(F)F 582094864 LHSJDODTNIPMAD-UHFFFAOYSA-N 356.351 4.874 30 40 FJEB CCOc1ccc(/C=N/c2ccc(C)c(I)c2)cc1 668342 AQYNFEALNBHGGN-WOJGMQOQSA-N 365.214 4.749 30 40 FJEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cccc(OC)c1 5478352 NOMJVTBYGFUJGE-UHFFFAOYSA-N 351.475 4.740 30 40 FJEB C=CCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 8495429 MINJUYBTFFTWOV-UHFFFAOYSA-N 352.261 4.857 30 40 FJEB O=C(/C=N/Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 12957437 VIRNWOJWTJZRPR-QPSGOUHRSA-N 362.138 4.688 30 40 FJEB CCCCCCCNCc1ccc(OC[C@@H](O)c2ccccc2)c(OC)c1 97966059 FUWKRRZAEFGFAU-OAQYLSRUSA-N 371.521 4.868 30 40 FJEB CCN(CC)c1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 409183405 BZRCGHBKFNTZBK-HZHRSRAPSA-N 368.477 4.614 30 40 FJEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 2153456 HAPRPBCUXBVPAG-JAIQZWGSSA-N 350.414 4.988 30 40 FJEB biogenic CCCCCCCCOC(=O)c1ccc(NC(=O)c2ccncc2)cc1 3081989 RKOVKFGMZOQYCG-UHFFFAOYSA-N 354.450 4.851 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 5734327 JROKPHOMKXLVLN-ZZEZOPTASA-N 354.366 4.509 30 40 FJEB O/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12 100250066 OKRZNTTYGCYMLV-JAIQZWGSSA-N 356.219 4.989 30 40 FJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 102583098 YXOMFUJIVKSXHG-GHNGSUTGSA-N 369.848 4.562 30 40 FJEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc12 1223900 LYQJQTXASWJDJZ-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB C[C@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@H](C)N1Cc1ccccc1 54201849 QAGILMRZNWONPW-ZWKOTPCHSA-N 352.522 4.879 30 40 FJEB CN(C/C(O)=N/c1cccc(F)c1)Cc1ncc(-c2ccc(Cl)cc2)o1 82097267 QJGQEPIOGKIVMY-UHFFFAOYSA-N 373.815 4.854 30 40 FJEB C=CCOc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1 225524712 HRZAVADELPFTPA-UHFFFAOYSA-N 356.491 4.525 30 40 FJEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 408766056 YYKAJZPFSDBLDH-RYRKJORJSA-N 351.793 4.946 30 40 FJEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 408910568 XEZJWRKZUWZION-KLPPEWMLSA-N 364.470 4.794 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 409075214 PVELGKOGGYONJH-XDHOZWIPSA-N 366.486 4.933 30 40 FJEB COc1cc(N2CCCCC2)ccc1/C=N/c1cc(C(=O)O)ccc1Cl 409232781 PTUUGKWYZQBLRS-LPYMAVHISA-N 372.852 4.788 30 40 FJEB CCCCCCCCCCSC1=C(Cl)C(=O)C(OC)=C(OC)C1=O 1558769 CLAHSRGPDUTRDV-UHFFFAOYSA-N 374.930 4.967 30 40 FJEB CN(C)c1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)cc1 5516156 OCOKHZXIOXTSPS-WYMPLXKRSA-N 373.485 4.870 30 40 FJEB Cn1nc(C(F)(F)F)c(/C=N/O)c1SCc1ccc(C(C)(C)C)cc1 100271500 GQCSTJAQCPXLSB-ZVBGSRNCSA-N 371.428 4.837 30 40 FJEB CC1CCN(C(=S)c2ccccc2OCc2ccccc2C#N)CC1 107723039 YNRTZIIVUULMGU-UHFFFAOYSA-N 350.487 4.545 30 40 FJEB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225841302 VYVXEBPLDOMGJO-IERDGZPVSA-N 360.498 4.905 30 40 FJEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)nc1 409069337 XHTPBAFRKPHARA-KIBLKLHPSA-N 373.382 4.657 30 40 FJEB CCOc1cc2c(cc1/C=N\c1ccc(Br)c(C)c1)OCO2 409095670 IFRZWXIREFCGFS-OCKHKDLRSA-N 362.223 4.636 30 40 FJEB N#Cc1ccc(-c2ccc(F)cc2)n(Cc2c(Cl)cccc2Cl)c1=O 3125676 PIFQJSFHOLFMMB-UHFFFAOYSA-N 373.214 4.881 30 40 FJEB CCCC/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1CCCC 5520168 YGYRKLVCVBTIEC-SMNQVOTKSA-N 359.539 4.625 30 40 FJEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccs3)n2C2CC2)cc1 7763819 GQFRSKVHFVTKOW-MRXNPFEDSA-N 366.515 4.877 30 40 FJEB C=C(Cl)CS[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12989934 UGHFQDHTBLDZSV-SECBINFHSA-N 352.868 4.791 30 40 FJEB CC1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CC(C)(C)OC3)CC1 13764252 DJOXXQGLQQIKTC-UHFFFAOYSA-N 361.489 4.708 30 40 FJEB N#Cc1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 20195576 GWBVAQUPWJRPQZ-UHFFFAOYSA-N 361.257 4.942 30 40 FJEB COc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1 84618623 DOIFCHKIVPLCDT-GDNBJRDFSA-N 368.738 4.746 30 40 FJEB C#CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1OC 409113623 IAPRRMCAHLCTJI-UHFFFAOYSA-N 374.278 4.699 30 40 FJEB O=C(Nc1ccccc1C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F 3019147 JOIWGKWVXWLUNG-UHFFFAOYSA-N 355.184 4.653 30 40 FJEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 4815234 HQMBMCVHSUXSBU-YBFXNURJSA-N 366.333 4.517 30 40 FJEB C=CCOc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)cc1 8410925 XNCKBILPPFGVMT-UYRXBGFRSA-N 364.470 4.760 30 40 FJEB Cc1c(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc2n1C 408861880 BMZQLQOIRZIALF-WQRHYEAKSA-N 365.433 4.517 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21 2087767 RDKWTBULQNEFPV-BKULYWANSA-N 368.541 4.718 30 40 FJEB C=C(C)COc1ccc2c(=O)c(Oc3ccc(OC)cc3)c(C)oc2c1 2097122 WOJMXSBQWGLTOH-UHFFFAOYSA-N 352.386 4.857 30 40 FJEB biogenic CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3F)S2)cc1 6869815 BKPMGKBXTUGAHP-AQTBWJFISA-N 369.465 4.564 30 40 FJEB COC(=O)c1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)c(C)c1 33721369 KMYGHWKHCBEIJS-YDZHTSKRSA-N 354.425 4.580 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(CC)cc3)=NC2=O)cc1 35043484 AYMSVEPQZCTQLT-XMHGGMMESA-N 364.470 4.896 30 40 FJEB O=C(/N=C1\C(Cl)=C(Cl)C(=O)c2ccccc21)c1ccc(Cl)cc1 100837320 ZAIZIWQGZUWGFN-QNGOZBTKSA-N 364.615 4.855 30 40 FJEB COC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1Cl 197489434 GTIQORRODZXIMB-HYARGMPZSA-N 356.853 4.868 30 40 FJEB CCCCOc1c(I)cc(C(C)(C)C)cc1C#N 225293028 HTCOFJLGAXMGLR-UHFFFAOYSA-N 357.235 4.639 30 40 FJEB O=C(O)c1ccc(Cn2cc(/C=N/c3ccc(F)cc3)c3ccccc32)o1 408541546 GQILDAWOMUWCMP-FOKLQQMPSA-N 362.360 4.871 30 40 FJEB CSc1cccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)c1 409330984 NVLCXZXCWHPCFT-CXUHLZMHSA-N 368.508 4.686 30 40 FJEB CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1Br 675335 WQXDLFJMZZKSFP-UHFFFAOYSA-N 357.251 4.871 30 40 FJEB CN(C)/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 3260965 FIQDUJZCWKEZPM-LFVJCYFKSA-N 360.457 4.740 30 40 FJEB Cc1ccc(/C=[N+](\[O-])[C@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1 4785502 TZKQZCLJUWSIKL-QWQBBLJPSA-N 370.543 4.563 30 40 FJEB C/C(CC/C=C/c1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16927873 CAKTYKSNWCLKJV-JILWXEIRSA-N 354.366 4.784 30 40 FJEB O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)N2CCC1CC2 39316346 RHCXUAHTTDQGRT-MOSHPQCFSA-N 353.849 4.555 30 40 FJEB COc1cccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)c1 59461353 HTNUXXRIFPECBX-SLCIEKFFSA-N 352.415 4.886 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(=S)N(C2CCCCC2)C1=O 408535828 XBCKEGSVRJQDHC-GHRIWEEISA-N 359.516 4.785 30 40 FJEB N#C[C@@]1(Cc2ccccc2)c2ccccc2C=CN1C(=O)c1ccccc1 1019604 VQBSSSAAVXOLLK-DEOSSOPVSA-N 350.421 4.775 30 40 FJEB COc1ccc2c(c1)CCc1sc(/N=C/c3cccc([N+](=O)[O-])c3)nc1-2 1085410 CFDQBRQCCKMSFE-RGVLZGJSSA-N 365.414 4.576 30 40 FJEB CCOc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O 1087110 ORHZTHWWGOOJCM-GIJQJNRQSA-N 354.631 4.957 30 40 FJEB O=C(C(=Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1 4127679 KPWQKAYZYZOIAN-UHFFFAOYSA-N 357.365 4.744 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(F)cc1 4650373 MOANQVTXHRMDDM-LJQANCHMSA-N 373.427 4.763 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)c(C#N)cc2c1 4849180 MILHJYYKQDGODH-RDTXWAMCSA-N 367.518 4.510 30 40 FJEB COc1cc(C#N)ccc1O[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 7470596 BSIOUGYPPVOJKN-QFIPXVFZSA-N 372.424 4.634 30 40 FJEB Cc1cc(N/N=C2/C(O)=Nc3ccc(Cl)cc32)ccc1Br 63845470 QOUVOVRXNRCTIK-UHFFFAOYSA-N 364.630 4.829 30 40 FJEB N#Cc1cccc(NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1 84374430 QHXDIRCPNFIRTL-KRWDZBQOSA-N 357.866 4.534 30 40 FJEB Cc1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)cc1[N+](=O)[O-] 408913933 WCPRIVADQKOIAS-KEBDBYFISA-N 350.330 4.643 30 40 FJEB Cc1ccc(N2C(=O)C[C@@]2(C#N)c2ccc(OCc3ccccc3)cc2)cc1 987619 RKYTXLUBKWKKRO-XMMPIXPASA-N 368.436 4.730 30 40 FJEB CSC(=CC(=O)c1ccc(-n2cnc(Cl)c2Cl)cc1)SC 2155010 AWNWIJBTBQPZOP-UHFFFAOYSA-N 359.303 4.929 30 40 FJEB COC(=O)c1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1 10118799 PRIICSUGUZSTQR-YDZHTSKRSA-N 368.820 4.510 30 40 FJEB C(=N\Oc1ncnc2ccccc12)\c1ccc(OCc2ccccc2)cc1 12376529 LOYKHGAQNMQADG-QFEZKATASA-N 355.397 4.622 30 40 FJEB COc1ccc(CN/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1OC 20195857 SRTMWVNFHMQNDC-YDZHTSKRSA-N 370.836 4.741 30 40 FJEB COc1ccc(C(=O)/C=C/c2cc3ccccc3nc2Cl)cc1OC 27557636 LKLJCPMWOOHEMD-VQHVLOKHSA-N 353.805 4.802 30 40 FJEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085668 XOLKMKANZOSGJN-UHFFFAOYSA-N 363.486 4.775 30 40 FJEB O=C(O)COc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1Cl 408849907 AOWFBXJUKZIYDW-GXHLCREISA-N 358.608 4.861 30 40 FJEB N#Cc1ccccc1COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1 409109478 FTLMCSPNVQKQHQ-BKUYFWCQSA-N 352.393 4.630 30 40 FJEB COc1cccc(/C=N\c2cccc(Cl)c2Cl)c1O[C@@H](C)C(=O)O 409251787 WEYOZTQRBVKUFR-ZFKRWFGPSA-N 368.216 4.605 30 40 FJEB CCN(CC)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 4064076 OWBKRSYSMJRQJB-AWEZNQCLSA-N 367.518 4.843 30 40 FJEB O=C1/C(=C/c2cccs2)Oc2cc(OC(=O)C3CCCCC3)ccc21 9419055 YABWSBWACJQWAP-PDGQHHTCSA-N 354.427 4.850 30 40 FJEB Cc1ccc(F)c(/N=C2\NN=C(c3cc(C)n(C4CC4)c3C)CS2)c1 63311573 OOMNXUXQQFNUAV-UHFFFAOYSA-N 356.470 4.616 30 40 FJEB CCC1([C@@](O)(C#CCN(C)Cc2ccccc2)c2ccccc2)CCCC1 96194493 XXLBJUXYKDWFIV-RUZDIDTESA-N 361.529 4.980 30 40 FJEB C=CC/N=c1/scc(-c2ccc(C)c(C)c2)n1/N=C/c1ccccc1F 103371481 KEFQMZAUJQEJJM-BXWSFNFDSA-N 365.477 4.941 30 40 FJEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 224540145 YWMLAJNIRJZVEL-INIZCTEOSA-N 351.446 4.536 30 40 FJEB CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC[C@@H](C)C1 225833233 YCOZRJIXAJZZCC-WHSLLNHNSA-N 358.482 4.659 30 40 FJEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118791 BHBHHQALXFMHNB-CIAFOILYSA-N 355.781 4.632 30 40 FJEB CC1(c2ccccc2)CC(/C(=N\OC[C@H]2CO2)c2cc3ccccc3o2)C1 15230084 YUMBUCQVTMGBQL-POECBLDTSA-N 361.441 4.920 30 40 FJEB CC(=O)C1=C(C)N[C@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl 19331723 UIMMOGUGGQCJRK-OALUTQOASA-N 361.272 4.789 30 40 FJEB Cc1sc(NC(=O)c2occc2COc2ccccc2)c(C#N)c1C 22240576 OXEOGKJJZWTOOR-UHFFFAOYSA-N 352.415 4.661 30 40 FJEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 31157600 WTDIRAZPDUAJEB-WGMOTNOQSA-N 350.499 4.829 30 40 FJEB biogenic,in-vitro O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccccc1O 83327426 LBZJMNRDTFBLEX-JYRVWZFOSA-N 365.241 4.591 30 40 FJEB C(=N/n1c(-c2ccccc2)cs/c1=N/C1CCCCC1)\c1ccccn1 103372017 IMHIHFOSBHNLPV-JSMHNXJNSA-N 362.502 4.727 30 40 FJEB C[C@]12CC[C@@H]3[C@H]([C@H](S)CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 504096488 NZCDWYJROUPYPT-VDVHGLHUSA-N 374.546 4.502 30 40 FJEB Cc1sc(NC(=O)CCCCC#N)nc1-c1c(F)cc(F)cc1F 593974953 GBNRUOSDOHCGJV-UHFFFAOYSA-N 353.369 4.558 30 40 FJEB N#Cc1ccc(-c2cccnc2)nc1SCC(=O)c1ccc(Cl)cc1 1054598 NWIGIKYVWKYYCZ-UHFFFAOYSA-N 365.845 4.644 30 40 FJEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1ccccc1[N+](=O)[O-] 17195945 DDIRYQQRNWLODI-GHVJWSGMSA-N 362.393 4.952 30 40 FJEB CNC1=C/C(=N\c2cccc(C)c2)c2c(O)c3ccccc3c3onc1c23 18080866 YGGFSKGPCLMKNW-LFVJCYFKSA-N 355.397 4.690 30 40 FJEB N#Cc1ccc(NCc2ncc(-c3cccc(Br)c3)o2)cc1 72910890 VZZZLTHMBZQJIN-UHFFFAOYSA-N 354.207 4.588 30 40 FJEB COc1ccc2c(CC(=O)Nc3ccccc3SCCC#N)coc2c1 95953491 SRCYZXLUELCXJS-UHFFFAOYSA-N 366.442 4.628 30 40 FJEB Cc1ccc(C#N)c(SCC(=O)N(c2ccccc2)c2ccccc2)n1 689554 FKHUPAGBXSPYKB-UHFFFAOYSA-N 359.454 4.719 30 40 FJEB COCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2 9423925 NBKDLUMLENNZRT-NSHDSACASA-N 372.456 4.862 30 40 FJEB Cc1ccc(-c2ccc(/C=N\c3ccc4[nH]c(=O)[nH]c4c3)o2)cc1Cl 16346873 LFKJFINCCZBSDG-FBHDLOMBSA-N 351.793 4.829 30 40 FJEB Cn1cc(-c2nc(COc3ccc(-c4ccc(C#N)cc4)cc3)cs2)cn1 47171709 DNPSSKKUTVSROZ-UHFFFAOYSA-N 372.453 4.661 30 40 FJEB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 95360966 JUYJXLDCSGWLOM-UHFFFAOYSA-N 370.503 4.861 30 40 FJEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OC(C)C 998781 MVCYGIBCCUWMLC-UHFFFAOYSA-N 356.805 4.598 30 40 FJEB C=CCn1c([C@@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21 1927026 AAJAASBBXVOBBD-LJQANCHMSA-N 361.489 4.668 30 40 FJEB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C#N)C1 4628385 BEAHKPKMMJEUEF-KBRIMQKVSA-N 350.487 4.877 30 40 FJEB CC1CCN(C(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)CC1 4848976 ZRSJHZNXXXIQDU-UHFFFAOYSA-N 367.518 4.580 30 40 FJEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1 5517403 FRMXCALAZLIVIC-MRXNPFEDSA-N 361.228 4.504 30 40 FJEB O=C(/C=C/c1ccccc1O)c1cccc(C(=O)/C=C/c2ccccc2O)c1 5583254 FRFLRNQXMSSLLA-QUMQEAAQSA-N 370.404 4.890 30 40 FJEB Cc1ccc(-n2c(S[C@@H](C)C#N)nc3sc(C)c(C)c3c2=O)c(C)c1 7471303 UUHXXKPHTFTPCA-LBPRGKRZSA-N 369.515 4.685 30 40 FJEB CC1=C(C(=O)C(F)(F)F)[C@H](c2ccccc2)NC(=O)N1c1ccc(C)cc1 8718076 BJGLJGZKGKMCIT-KRWDZBQOSA-N 374.362 4.671 30 40 FJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 8811469 GGOHTBVPRWZJSG-WSDLNYQXSA-N 369.808 4.940 30 40 FJEB CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)ccc2O)C(=O)N1C 38361081 JNITWBXTSXXALD-SMSCYPBYSA-N 372.877 4.842 30 40 FJEB N#CCCN(Cc1ccco1)C(=O)Nc1ccc(COC2CCCC2)cc1 84432566 LZFVMAUIIXKQRG-UHFFFAOYSA-N 367.449 4.687 30 40 FJEB CCCCCCCCSc1nc(C)c(CC(=O)OCC(C)C)c(O)n1 102043611 ARJFDLVZMXAKAF-UHFFFAOYSA-N 368.543 4.685 30 40 FJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(C)c2)C(=O)N1C 408909230 GRNUXKVIYDUSQJ-NFYBBCHUSA-N 366.486 4.800 30 40 FJEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1NC(=O)c1ccccc1 409202694 SYAMWOZFNBMNLT-XKZIYDEJSA-N 351.837 4.893 30 40 FJEB COc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 4175347 CRIYXZYHZZAVIZ-HZHRSRAPSA-N 368.849 4.812 30 40 FJEB O=C(/C=C/c1ccc(Br)o1)/C=C/c1ccc(Br)o1 4263965 SSMQVHZAPAULLU-ZPUQHVIOSA-N 372.012 4.693 30 40 FJEB N#Cc1c(NC(=O)COc2ccccc2Cl)sc2c1CCCCC2 5752546 ZGQHFBYWUBAUIK-UHFFFAOYSA-N 360.866 4.560 30 40 FJEB O=C1ON=C(c2ccc(-c3ccccc3)cc2)/C1=C/c1ccc([N+](=O)[O-])cc1 5874703 OHUBDRVDFGUBRW-ZHZULCJRSA-N 370.364 4.606 30 40 FJEB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1ccccc1C#N 8205855 VZKAAZLTFMFIJU-UHFFFAOYSA-N 370.767 4.671 30 40 FJEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(F)c1 9141285 ANTDQYCCSJWFFW-UHFFFAOYSA-N 357.797 4.727 30 40 FJEB C[C@@H](NC(=O)COc1ccc(C#N)cc1Cl)c1ccc2ccccc2c1 12981756 SWHADMVTCWQUAE-CQSZACIVSA-N 364.832 4.621 30 40 FJEB CCCCCCCCS(=O)(=O)N/N=C/c1cccc(Cl)c1Cl 97960685 KIYPMLHBBYAWBP-LDADJPATSA-N 365.326 4.607 30 40 FJEB C=CCN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937625 UTEDKBNLDMSNNA-UHFFFAOYSA-N 360.237 4.514 30 40 FJEB CCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC(C)CC1 225835000 DWUAPVNYPGZLQK-UHFFFAOYSA-N 358.482 4.517 30 40 FJEB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@@H](C)C1 225855427 AIOPKCIUQVFBCL-VGOFRKELSA-N 372.509 4.907 30 40 FJEB CCOc1ccccc1/C=C1\SC(=Nc2ccc(CC)cc2)NC1=O 408765060 JYSKWFHWMNOWHT-AQTBWJFISA-N 352.459 4.539 30 40 FJEB CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccccc1C#N 781502 BJLMZZTXIJCKAC-HNNXBMFYSA-N 353.472 4.677 30 40 FJEB CC(C)c1ccc(/C=N/NC(=S)N/N=C/c2ccc(C(C)C)cc2)cc1 1682148 XAUYIGRFODJXMP-MSKUYSOUSA-N 366.534 4.766 30 40 FJEB C=CCn1c(-c2ccc(Br)cc2)nc2nc3ccccc3nc21 2404210 CYMMKSDCAQPVJP-UHFFFAOYSA-N 365.234 4.595 30 40 FJEB CCCCOc1ccc(C(=O)O/N=C2/CCCc3cc(OC)ccc32)cc1 5298426 NUJDCGHNIHNBDW-LNVKXUELSA-N 367.445 4.772 30 40 FJEB CCCCCCOc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 5835409 DBDRRWWUAXBDRW-LTGZKZEYSA-N 361.555 4.776 30 40 FJEB Cc1cccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3C)c2C)c1 7343433 NMWZAPVQRGBEIK-OEAKJJBVSA-N 357.461 4.735 30 40 FJEB C=C(C)[C@@H](O)CC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12 15120612 DBHLROWQWPSCQG-AAKUMTKESA-N 354.402 4.582 30 40 FJEB endogenous,in-man N#Cc1cccc(NC(=O)CSCc2csc(-c3ccccc3)n2)c1 40067178 JRMVFGDBPAVAKE-UHFFFAOYSA-N 365.483 4.554 30 40 FJEB C=CCSc1ccccc1C(=O)NCCSCc1ccc(C)cc1 219799232 STEVGMOEPRLRRK-UHFFFAOYSA-N 357.544 4.936 30 40 FJEB COc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O 408844624 KNXOQIUGGDRSII-YBEGLDIGSA-N 358.850 4.549 30 40 FJEB CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H]1CO1 1776004428 RNEWHVGIIQSAAL-RBUKOAKNSA-N 365.395 4.546 30 40 FJEB C=CCOc1c(Br)cc(CNCCCCCC)cc1OC 7260960 MENFVACWHRLNNY-UHFFFAOYSA-N 356.304 4.692 30 40 FJEB COC(=O)c1ccc(C)c(/N=C/c2cc(F)c(N3CCCC3)cc2C)c1 107681477 SFIGCCCDZNASJJ-YDZHTSKRSA-N 354.425 4.580 30 40 FJEB CCOc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(OCC)c1 408942225 WUVQHWIHUJPAMN-UUYOSTAYSA-N 352.356 4.949 30 40 FJEB CCCCOC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 408961032 PZYDPPGTCRQAKD-HAVVHWLPSA-N 350.462 4.994 30 40 FJEB CCc1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575243061 OUDWXESQEZAAHY-UHFFFAOYSA-N 352.196 4.900 30 40 FJEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OC 9195365 OWVWNGCDVCCOAU-KEBDBYFISA-N 353.249 4.524 30 40 FJEB FC(F)(F)C(/C=C\I)(C(F)(F)F)C(F)(F)F 100405269 CYOXXWXEWWBMQR-UPHRSURJSA-N 371.968 4.608 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C2/CCCC/C2=C/c2ccccc2)c([N+](=O)[O-])c1 104183164 NYAUQRQETLBWBV-RQDOHCPJSA-N 366.377 4.929 30 40 FJEB C=CCSc1ccccc1C(=O)NCCCc1ccccc1OCC 219812502 DFHVTVXPTPZBDW-UHFFFAOYSA-N 355.503 4.726 30 40 FJEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224926835 GCGUGBARTMJPLF-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OC 224958787 ZCMPLLCXXHFGCG-UHFFFAOYSA-N 350.462 4.666 30 40 FJEB O=c1oc2ccccc2cc1-c1csc(NN=C[C@@H]2CC=CCC2)n1 254828683 UGHGKIWJIWQYMO-CYBMUJFWSA-N 351.431 4.671 30 40 FJEB Oc1ccc2ccccc2c1/C=N/c1ccc(I)cc1 799540 RUIMFQJQZHKUCC-YBFXNURJSA-N 373.193 4.901 30 40 FJEB CCOC(=O)c1cc(C#N)c(Sc2ccccc2)nc1-c1ccccc1 3104570 KMJIQHZUMNKXJM-UHFFFAOYSA-N 360.438 4.948 30 40 FJEB CCOC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1-c1ccccc1 3104590 ZIPQMFCKSSOUFP-UHFFFAOYSA-N 374.396 4.598 30 40 FJEB CCO/C=N/c1c(C(=O)OCC)sc2nc(CC(C)C)c3c(c12)CCC3 5035144 RHSZJPWFRRBGCU-SRZZPIQSSA-N 374.506 4.857 30 40 FJEB Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(C(C)C)cc2)C1 8623904 KYTLKRCQCDNSKT-FGZHOGPDSA-N 362.521 4.739 30 40 FJEB biogenic,in-vitro N#Cc1ccc(OC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 32980135 HQGJMMRJRBAJFU-UHFFFAOYSA-N 365.392 4.630 30 40 FJEB COc1cc(/C=C2/COc3ccccc3C2=O)ccc1OCc1ccccc1 33379596 XDSGWPQZZNILIU-UYRXBGFRSA-N 372.420 4.933 30 40 FJEB CCN1c2cc(C)c(/C=C3\S/C(=N\C)N(C)C3=O)cc2C(C)=CC1(C)C 223499204 VJXHMLBISJWIJE-CXDOZEDNSA-N 369.534 4.549 30 40 FJEB C[C@H]1C[C@@H](C)CN(c2c(N)cc(C#N)n2Cc2cccc3ccccc23)C1 225868207 LWQVCJGDANXCEY-CALCHBBNSA-N 358.489 4.626 30 40 FJEB CC(C)(CN1CCCCC1)C(=O)/C=C/c1ccc(Br)cc1 1633631 KAJSZEIUZJTJRV-DHZHZOJOSA-N 350.300 4.544 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 1811167 UXOUUHVRFPHEIT-ATVHPVEESA-N 371.458 4.796 30 40 FJEB CCOC(=O)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CCCC2 2338489 SYBRPVSLDDOIHT-KEBDBYFISA-N 363.866 4.913 30 40 FJEB C#CCOc1ccc(Br)cc1/C=N/c1ccc(OCC)cc1 6962323 DQZJXHHSKODROW-DEDYPNTBSA-N 358.235 4.610 30 40 FJEB Clc1cccc(Cl)c1CN/N=C/c1ccc(Br)cc1 9195755 KZJBWLRKHGRIMD-QGMBQPNBSA-N 358.066 4.880 30 40 FJEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccccc1 9426941 JPKHTPNGZHPEPA-CIAFOILYSA-N 367.474 4.875 30 40 FJEB N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(C(F)(F)F)cn1 41552791 PFCZRBWZZPWNJP-CQSZACIVSA-N 364.754 4.662 30 40 FJEB N#CCc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1 225810236 VHOUQHDMOWYJGM-UHFFFAOYSA-N 367.493 4.690 30 40 FJEB CC[C@@H]1S/C(=N\N=C(/C)c2ccccc2)N(c2ccc(C)cc2)C1=O 968728 KMSWGRSAOVGMGM-NPXYDADFSA-N 351.475 4.634 30 40 FJEB COC(=O)c1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 1445248 VCONLCDFCUHLNR-ZVHZXABRSA-N 363.388 4.942 30 40 FJEB Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 5190744 VWDQBOKOZICFHB-UHFFFAOYSA-N 356.516 4.928 30 40 FJEB COc1ccc(/C=N\Nc2nc3ccccc3c3ccccc23)cc1OC 31862348 BIQZQVUBDIDTMJ-UCQKPKSFSA-N 357.413 4.851 30 40 FJEB C/C(=C\C(=O)c1cccnc1)Nc1ccc(Br)cc1Cl 32100676 PYEIDZUVMZGJLT-JXMROGBWSA-N 351.631 4.696 30 40 FJEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)S2)cc1 59248606 BEPBEVDDYFHAFR-XDHOZWIPSA-N 361.470 4.687 30 40 FJEB O=C(c1nc(Cl)ccc1Cl)N1CCCS/C1=N\c1ccccc1 97980285 XNXRPJYPPKOKNF-MNDPQUGUSA-N 366.273 4.655 30 40 FJEB C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 224945591 COBSOPOEIHAONK-JOCHJYFZSA-N 365.473 4.926 30 40 FJEB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225841041 YYDWMWPYMMHJAN-NRFANRHFSA-N 360.498 4.763 30 40 FJEB CC/N=C1/S/C(=C/c2cn([C@H](C)CC)c3ccccc23)C(=O)N1CC 408931726 PKDDCEYHSBEGAU-ZNOVPNRESA-N 355.507 4.924 30 40 FJEB N#Cc1cccc(CNC(=O)N2CCC(c3cccc4ccccc34)CC2)c1 58569770 JOJRVJHCGCHYDJ-UHFFFAOYSA-N 369.468 4.801 30 40 FJEB N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1ccc2ccccc21 65011257 ZGJUKAAHLIYFBU-UHFFFAOYSA-N 357.438 4.880 30 40 FJEB C/C(O)=C1/C(=O)c2c(cccc2[N+](=O)[O-])/C1=N/c1ccc2ccccc2c1 100095822 NAJAXQNXJQPISK-JLZFKDTQSA-N 358.353 4.897 30 40 FJEB N#Cc1cccc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)c1 206994724 PVIHCOKVCHXGPK-GOSISDBHSA-N 356.878 4.532 30 40 FJEB C=CCOc1ccc(C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 219641327 UCTYUYWJEBJXPI-OAQYLSRUSA-N 353.462 4.777 30 40 FJEB CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 2288278 MLKSWZRNCAMRQC-UHFFFAOYSA-N 369.428 4.509 30 40 FJEB O=C1C[C@H](c2ccccc2)C(C(=O)c2ccccc2)=C(c2ccccc2)N1 4267731 NROWHTNNHJQGLH-HXUWFJFHSA-N 353.421 4.584 30 40 FJEB biogenic C[C@@H]1C/C(=N\N=C2/SCC(=O)N2c2ccc(Cl)cc2)CC(C)(C)C1 4871882 ILUUFJCKAFIIBX-JWGZBMOXSA-N 363.914 4.978 30 40 FJEB COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 6843139 SFMYUPUIIKVTQC-CXUHLZMHSA-N 358.393 4.811 30 40 FJEB COC(=O)c1ccc(-n2ccc(/C=N/c3cccc4cccnc34)c2)cc1 6950472 HCUMYHOXXLONPY-ZVHZXABRSA-N 355.397 4.563 30 40 FJEB C=CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1OC 8111021 VQMZGSWGKYPRJF-UHFFFAOYSA-N 366.230 4.774 30 40 FJEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCCCC4)o3)o2)c1 12418972 HMLXPXVAUZPTOU-UHFFFAOYSA-N 363.417 4.684 30 40 FJEB CN1/C(=C\C(=O)c2ccc(Br)cc2)C(C)(C)c2ccccc21 32686496 MBHUQGRQPQKQCL-PDGQHHTCSA-N 356.263 4.943 30 40 FJEB CC(=O)c1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1 3116251 BVBFCZOQFZCYCJ-QGMBQPNBSA-N 352.615 4.761 30 40 FJEB N#Cc1ccccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl 3292827 MUTFARXKSPDGIE-UHFFFAOYSA-N 371.874 4.553 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C(\Cc2nc3ccccc3[nH]2)c2ccccc2)cc1 5071803 KGDRFCKKTNGZEM-LKUDQCMESA-N 371.400 4.530 30 40 FJEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1CC(F)(F)F 6183058 TUEWOVYYFZMNOL-TXNBCWFRSA-N 364.293 4.527 30 40 FJEB COc1ccc(/N=C/c2cc(Cl)cc(OC)c2O)cc1Br 6736681 CZBQGORHRCDHQP-QGMBQPNBSA-N 370.630 4.576 30 40 FJEB C=CCOc1ccc(Br)cc1/C=C1/C(=O)Nc2ccccc21 15011361 AUIRIVXEARVCIO-RVDMUPIBSA-N 356.219 4.507 30 40 FJEB COc1ccc(/C=C2\S/C(=N/c3ccccc3C)N=C2O)c(OC)c1 17160900 OXRKCADIWPKEMA-YVLHZVERSA-N 354.431 4.744 30 40 FJEB CCCOc1cccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 20797242 NMVLMAWALBDUJZ-NRFANRHFSA-N 361.445 4.703 30 40 FJEB COc1ccc(N(Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)cc1 32873650 BZMPKPOIXNKXLI-UHFFFAOYSA-N 353.425 4.645 30 40 FJEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(Cl)c(C(=O)O)c1 108113677 DKOQGSCIRTUBPP-JJFYIABZSA-N 360.816 4.837 30 40 FJEB C=CCc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)cc(OCC)c1O 408842871 CMVGICHAMBEIPD-SRZZPIQSSA-N 359.809 4.622 30 40 FJEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(N3CCCC3)cc2C)c1 408961954 VYYJGHOFXHOCSR-LPYMAVHISA-N 356.853 4.786 30 40 FJEB N#CC1(C#N)[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1399444 RHDKLJWYHDVRDA-JKSUJKDBSA-N 374.202 4.518 30 40 FJEB CCc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)cc1 4655571 XHRHCUJHPPAIHA-CLFQVDMQSA-N 358.485 4.781 30 40 FJEB COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1Br 5514073 QIMMDJIDQUQKOY-RQZCQDPDSA-N 362.252 4.513 30 40 FJEB CCCn1c(=O)n(CC/C(O)=N/c2c(C)cccc2C)c2ccccc21 12798218 HNCVDTHEPZXNOF-UHFFFAOYSA-N 351.450 4.508 30 40 FJEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2cc(C)cc(C)c21 46084919 XYTDOGCEJSLWNH-ATJXCDBQSA-N 366.461 4.598 30 40 FJEB C/N=C1\S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C(=O)N1C 223555397 VUIWQEWNYGYXGA-HNLDYYEUSA-N 371.550 4.719 30 40 FJEB C=CCc1cc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)ccc1OC 225149430 CHFPRNSEMFDUSU-UHFFFAOYSA-N 365.458 4.503 30 40 FJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1OC 408596754 UDTONYILUQCNKM-CHOFVFFHSA-N 372.852 4.948 30 40 FJEB CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 1321410 RDKWTBULQNEFPV-ODGPQVTHSA-N 368.541 4.718 30 40 FJEB biogenic Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1CC(F)(F)F 5575296 ZTQSBFUTDIGAAH-DNTJNYDQSA-N 352.385 4.723 30 40 FJEB C/C(=N/N=c1/[nH]c(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1 5620607 DQSDHJALOBPJRM-JAIQZWGSSA-N 372.837 4.630 30 40 FJEB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nc3ccccc3n2CCC#N)c1 12602500 GZDDSGHADPXDLR-INIZCTEOSA-N 363.486 4.930 30 40 FJEB CCCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102333978 MJPMWKFEDBUANB-UHFFFAOYSA-N 365.430 4.764 30 40 FJEB C#CCOC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 226258122 ARYYNJXOEYNRRQ-VMPITWQZSA-N 354.711 4.808 30 40 FJEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3)c2C)cc1 409186671 GIBNKXSFAXGTOO-OEAKJJBVSA-N 362.429 4.942 30 40 FJEB O=[N+]([O-])c1cc(F)c(F)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250493 VAOBOWYJCJVPPC-UHFFFAOYSA-N 355.165 4.962 30 40 FJEB CC1=C(CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccccc2C1=O 3052113 HVBBNWIBUWWLOD-UHFFFAOYSA-N 359.208 4.962 30 40 FJEB C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2SC)cc1OC 13018889 OLQRFHHFJZRQND-ZRDIBKRKSA-N 355.459 4.634 30 40 FJEB Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N\C[C@@H]2CCCO2)cc1 100862507 OJCVOAJIBMRGIM-YTLMXASBSA-N 365.864 4.791 30 40 FJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc(C(=O)O)cc2)o1 408913585 VPAXHXPYFMQOCS-RGVLZGJSSA-N 350.330 4.612 30 40 FJEB N#C[C@]1(c2nc3ccccc3s2)Cc2c(F)cccc2N2CCCC[C@H]21 6598122 FGTDCMHCEWBVMQ-PZJWPPBQSA-N 363.461 4.812 30 40 FJEB COC(=O)c1c(/N=C(\O)Cc2coc3ccc(C)cc23)sc2c1CCC2 6809798 YCAWEHBZZFVGQF-UHFFFAOYSA-N 369.442 4.909 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(C)C 7743807 TZUHDDUEBQNGFT-GQCTYLIASA-N 374.820 4.761 30 40 FJEB CC(/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2)=C\c1ccccc1 16919495 AEIWRXJWGCFDOT-PQCVPMFUSA-N 353.535 4.509 30 40 FJEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCCCCC2)n1 19794137 OBKHPRVILOWQHJ-UHFFFAOYSA-N 358.898 4.771 30 40 FJEB COc1c(F)c(F)c(C(=O)Nc2ccccc2C(F)(F)F)c(F)c1F 408619218 AAABZOFQAZXJMW-UHFFFAOYSA-N 367.220 4.523 30 40 FJEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(N4CCOCC4)cc3)c2C)cc1 408931785 QGQXMPCHOAHPIF-UQQQWYQISA-N 373.500 4.990 30 40 FJEB NC(=O)Cn1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c2ccccc21 409386645 WCNDBRRMQKZTIW-AFUMVMLFSA-N 368.440 4.621 30 40 FJEB N#C[C@@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 539960643 QZMNTDJGBSXDEJ-QGZVFWFLSA-N 359.256 4.697 30 40 FJEB N#Cc1ccc(SCc2ccc(OCc3ccncc3)cc2)c(F)c1 610218713 LATCNJDCHWFRHW-UHFFFAOYSA-N 350.418 4.964 30 40 FJEB N#CC1(C#N)[C@@H](c2ccc(Cl)s2)[C@H]1C(=O)C12CC3CC(CC(C3)C1)C2 4476398 IMVBMXSCTLLLQD-OQXXPCHLSA-N 370.905 4.934 30 40 FJEB COc1ccc(OC)c(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c1 17355351 GUGBGOIMSXTDFF-OEAKJJBVSA-N 357.413 4.998 30 40 FJEB C(#CC(c1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCOCC1 20057825 KGOILPRXYFGSPO-UHFFFAOYSA-N 373.540 4.889 30 40 FJEB COc1ccccc1/C=N\CCCCCC/N=C/c1ccccc1OC 103652323 YLFYIZXDURIZQE-QFFDILLMSA-N 352.478 4.802 30 40 FJEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1ccccc1[N+](=O)[O-] 104283848 DDIRYQQRNWLODI-FCQUAONHSA-N 362.393 4.952 30 40 FJEB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C#N 225832542 UEHONGFZKAFSOO-HRAATJIYSA-N 358.482 4.661 30 40 FJEB Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2ccccc2F)NC1=O 408862115 CJTRUOMTRVKBLE-YVLHZVERSA-N 351.406 4.507 30 40 FJEB CO/N=C(\CSc1ccc(Cl)cc1)c1c(C)nc2cc(C)ccn12 1390168 FPEDPWOYRLNRCU-LTGZKZEYSA-N 359.882 4.747 30 40 FJEB COc1ccc([C@H]2CCCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 1715761 MCABBJPUFYFWOF-RTWAWAEBSA-N 374.502 4.825 30 40 FJEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1 5517402 FRMXCALAZLIVIC-INIZCTEOSA-N 361.228 4.504 30 40 FJEB O=C(Cc1ccsc1)NC1(C#Cc2cnc3ccccc3c2)CCCCC1 12133286 STJBJCLKJVPAHU-UHFFFAOYSA-N 374.509 4.710 30 40 FJEB Cc1c(C#N)c(NC(=O)CSc2ccccc2F)n(C2CCCC2)c1C 12241309 QUNFNLIOEPKUPF-UHFFFAOYSA-N 371.481 4.962 30 40 FJEB O=C1Nc2ccc(Br)cc2/C1=N/c1cccc2ccccc12 13902918 SNPUMLRYRRISDY-UHFFFAOYSA-N 351.203 4.675 30 40 FJEB N#Cc1ccccc1-c1ccc(CSc2nnc(NC3CC3)s2)cc1 14189825 HGCZBAQXIONUKJ-UHFFFAOYSA-N 364.499 4.943 30 40 FJEB O=C(O)c1ccc(Cl)c(N/C=C\C(=O)c2ccc3ccccc3c2)c1 16545737 QMNZOEALPUFMRZ-KTKRTIGZSA-N 351.789 5.000 30 40 FJEB CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@H](CO)OC1=O 17654590 KZTSLHQKWLYYAC-SFHVURJKSA-N 368.514 4.767 30 40 FJEB biogenic C=CCSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccccc1OC 26333912 BUMFWADCCKHVHH-MRXNPFEDSA-N 370.518 4.605 30 40 FJEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(Br)cc1 40139496 OVWTUYHHGGRNJI-CMDGGOBGSA-N 371.259 4.864 30 40 FJEB C=CCSc1nnc(NC(=O)/C(=C/c2ccco2)c2ccccc2)s1 225882502 ZRSXUTPWKQXGGE-NTCAYCPXSA-N 369.471 4.589 30 40 FJEB C=CCOC(=O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 226256461 DLXBHELZOIMLHJ-VMPITWQZSA-N 351.171 4.591 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F 408708485 IOIYWSVUWNLVTD-UHFFFAOYSA-N 372.431 4.901 30 40 FJEB O=[N+]([O-])c1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)s1 910310 HOCLCCHMQHASHR-VXLYETTFSA-N 365.370 4.921 30 40 FJEB Cc1ccc(NC(=O)O/N=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1 1403299 GARNRGPQCCZLHX-GFMRDNFCSA-N 371.396 4.626 30 40 FJEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CCCCC1 3296739 GETNVFHARYEDJM-UHFFFAOYSA-N 370.522 4.551 30 40 FJEB C=CCSc1nnc(-c2ccccc2NC(=O)/C=C/c2cccs2)o1 9764079 QCDYGFRNARPSSA-MDZDMXLPSA-N 369.471 4.728 30 40 FJEB COc1ccc2c(c1)c(C(=O)O[C@H](C)/C(O)=N/C(C)(C)C)c(C)n2C1CC1 10571400 BQTDCJAIOKDWRQ-CYBMUJFWSA-N 372.465 4.594 30 40 FJEB COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1 13381831 XQZVHESVZCKBJB-GDPGSFABSA-N 364.533 4.802 30 40 FJEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C)o1)C2=O 20650008 JLAACRBITVZNKC-UNOMPAQXSA-N 355.434 4.532 30 40 FJEB OC1=NC(=N\c2ccccc2)/C(=C/c2c(Cl)nc3sccn23)S1 71286622 BDOUAQOPWCTISI-FLIBITNWSA-N 360.851 4.781 30 40 FJEB CCOc1cccc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)c1 100299385 ZODIGRFCXSBRCX-SXFBWKAHSA-N 352.459 4.709 30 40 FJEB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C#N 225683424 LEXDNGBPDWJKCW-UHFFFAOYSA-N 352.409 4.547 30 40 FJEB Cc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 1773397 BCOKTQWNJZTCJD-HNNXBMFYSA-N 368.502 4.851 30 40 FJEB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(C#N)cc2)c2ccc(C)cc2)cc1 2649335 RKJHJJZMYWZEPT-QHCPKHFHSA-N 369.420 4.956 30 40 FJEB COc1ccc(/C=N/Nc2ccc(F)cc2F)cc1OCc1ccccc1 4919986 VWEVINZDCOCADP-ZMOGYAJESA-N 368.383 4.998 30 40 FJEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3CC)NC2=O)cc1 5551294 OOUUCNOFVICZAT-RGEXLXHISA-N 364.470 4.705 30 40 FJEB CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 8992526 SETUSHCNGNQNGH-JAIQZWGSSA-N 350.414 4.568 30 40 FJEB biogenic O=C(/C(=N/N=C1/C(O)=Nc2ccc(F)cc21)c1ccccc1)c1ccccc1 13127474 CJLOXVPVFZEKRK-NCELDCMTSA-N 371.371 4.504 30 40 FJEB COc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc1Cl 20357401 SWMFZJWDJWMLRX-MHWRWJLKSA-N 358.850 4.549 30 40 FJEB N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1ccco1)N1CCCCC1 27992880 IZTISROOPTYBKQ-HNNXBMFYSA-N 368.462 4.507 30 40 FJEB O=C(O)c1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 408915096 URBKKQPBKWIMHK-KEBDBYFISA-N 370.748 4.957 30 40 FJEB COc1cc(/C=N\c2cccc(C)c2)ccc1OCc1ccc(C(=O)O)o1 409387002 YLWFOUDKWJVIPC-UUYOSTAYSA-N 365.385 4.624 30 40 FJEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1 675375 YQVVTBQTVHNTKU-UHFFFAOYSA-N 366.457 4.792 30 40 FJEB CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 2027927 UCNHZIHRKRCIJH-UHFFFAOYSA-N 365.429 4.614 30 40 FJEB biogenic C=CCN(C(=O)Cc1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 3558689 PEDKVVYOSNSQRG-UHFFFAOYSA-N 364.470 4.580 30 40 FJEB C[C@H](ON=C1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1F 5460242 MSUGOZMSJLJCBQ-AWEZNQCLSA-N 360.388 4.602 30 40 FJEB O=C(O/N=C(\c1ccccc1)c1ccccn1)c1ccc(Cl)cc1Cl 5772314 DSCWFVBYNANFBV-PTGBLXJZSA-N 371.223 4.998 30 40 FJEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cccn1-c1ccccc1 15013259 LMNLSIZAQKXWBY-QGOAFFKASA-N 363.417 4.508 30 40 FJEB CC(C)C(=O)Nc1sc(N/N=C/c2ccccc2)nc1-c1ccccc1 16806598 GZSKTFIXZZFNTK-FYJGNVAPSA-N 364.474 4.851 30 40 FJEB COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)[C@@H](c3ccccc3)[C@@H]1CC2 17949081 TUABOXZEXOEAHC-DECYMSNWSA-N 360.457 4.511 30 40 FJEB COc1cccc(/C=C2/S/C(=N\c3ccc4ccccc4c3)NC2=O)c1 59488403 UXKPPABWLSRDKC-XDHOZWIPSA-N 360.438 4.740 30 40 FJEB Cc1cccc(C)c1NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 95117281 FUFGSHKQYLUNHR-GOSISDBHSA-N 372.468 4.526 30 40 FJEB CCCCCCCNCc1ccc(OC[C@H](O)c2ccccc2)c(OC)c1 97966058 FUWKRRZAEFGFAU-NRFANRHFSA-N 371.521 4.868 30 40 FJEB C=CCOc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1 225541927 JZWQPJVXXLQCBO-UHFFFAOYSA-N 360.910 4.824 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O 409073535 ZSFMSSBDWYTBNE-KBVGCWLLSA-N 351.855 4.740 30 40 FJEB C=CCn1c(-c2ccccc2)nn(CNc2ccccc2Cl)c1=S 707437 DMHCKIDLXVTRQJ-UHFFFAOYSA-N 356.882 4.990 30 40 FJEB CCc1ccc(/C=C2\Oc3cc(OC(=O)N(CC)CC)ccc3C2=O)cc1 2403075 ACCBTVHCSDOZHO-MOSHPQCFSA-N 365.429 4.706 30 40 FJEB Cc1ccc(C(=O)/C=C/N2CCC(=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 6501842 ZXHHIUTXXIYHFE-NTCAYCPXSA-N 362.429 4.779 30 40 FJEB C=C(C)COc1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 44837299 IEHSUJDRWDDZKI-UHFFFAOYSA-N 350.245 4.878 30 40 FJEB COc1ccc(OC)c(C(=O)/C=C/Nc2ccccc2C(F)(F)F)c1 51318573 XZJRLDNHAZDJSS-MDZDMXLPSA-N 351.324 4.531 30 40 FJEB COc1cc(C#N)cc(Cl)c1OCc1cccc(Br)c1 60512701 PHYAJTWERWSWGQ-UHFFFAOYSA-N 352.615 4.562 30 40 FJEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(C(=O)OCC(C)C)cc1)C2 100258416 PIEDCAONCSKOEF-VGSWGCGISA-N 355.478 4.820 30 40 FJEB O=C1/C(=C/c2cc3c(cc2Br)OCO3)Sc2ccccc21 656922 PMDHYZFHEBEDHH-UUASQNMZSA-N 361.216 4.507 30 40 FJEB CCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O 2300760 JBUGQCOLYBOLRA-FCVXWEMSSA-N 365.502 4.629 30 40 FJEB C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2cccc(OC)c2)c(O)c1 5184432 DLQIERAJGHLPQU-UHFFFAOYSA-N 366.417 4.847 30 40 FJEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCC(C)CC2)C1=O 9483783 REQJCYJJYJXTBY-WQRHYEAKSA-N 369.486 4.610 30 40 FJEB N#Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 17190712 IUSGFFKWGLESPL-RWEWTDSWSA-N 365.392 4.789 30 40 FJEB CC(C)N(CC#CC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 61864789 NOBBVCNKCWXRGA-UHFFFAOYSA-N 369.508 4.837 30 40 FJEB C=CCOC(=O)/C=C/c1cccc(OCc2ccc(Br)cc2)c1 216896879 NYQUGYXOCYOFFB-DHZHZOJOSA-N 373.246 4.771 30 40 FJEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2cccc(C(=O)O)c2C)o1 408960156 CPPAWUIVSXBADB-SSDVNMTOSA-N 363.369 4.710 30 40 FJEB C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N(C)c1ccccc1 2646637 YBMVNBAYTDIKQJ-KRWDZBQOSA-N 356.425 4.656 30 40 FJEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cn(Cc2ccc(F)cc2)c1=O 3133662 NKPNPIKUFBFVGM-UHFFFAOYSA-N 372.321 4.593 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)OCc3ccccc3)nc2c1C 4849130 FMAYWHWQMPNKOC-UHFFFAOYSA-N 362.454 4.559 30 40 FJEB COc1cc(/C=N\N=C(/C)c2ccc3ccccc3c2)cc(OC)c1OC 31723557 FUSJKVOJYARDKE-PMICNGQHSA-N 362.429 4.709 30 40 FJEB O=C1/C(=C\c2ccccn2)S/C(=N/c2ccccc2)N1c1ccccc1 33296061 MFSJCXBBPOLOBS-ZTKBUNODSA-N 357.438 4.890 30 40 FJEB C=CCOc1cccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193824 CCXUGQMCZULBGR-UHFFFAOYSA-N 374.425 4.831 30 40 FJEB CCOc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]c2=O)cc1 101203188 NNIBJPUZRCLQLK-BUVRLJJBSA-N 369.424 4.739 30 40 FJEB C=CCOc1cccc(NC(=S)NCCCSCc2ccccc2)c1 225598872 YFYSCPKZKLPXTI-UHFFFAOYSA-N 372.559 4.861 30 40 FJEB CCCCCCCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 1505840596 XLMOJUXUDFOOAN-NRFANRHFSA-N 367.489 4.625 30 40 FJEB O=C1/C(=C\c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)Oc2ccccc21 1681962 OUPIYWLOWVJIGA-OVWUPXBPSA-N 357.365 4.995 30 40 FJEB CCOc1cc2c3c(c1)/C(=N\c1ccc(F)cc1)C(=O)N3C(C)(C)C=C2C 12406388 SZYNBSMQAZICPN-LYBHJNIJSA-N 364.420 4.887 30 40 FJEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c(C)c1 59249123 JOLLFTRWEHLQRT-LPYMAVHISA-N 352.821 4.976 30 40 FJEB O=C1/C(=C/c2csc(-c3ccc(F)cc3)n2)CCc2cc(O)ccc21 72079819 YUSMIBCCKCVLJG-NTEUORMPSA-N 351.402 4.867 30 40 FJEB Cc1csc(/C(=C/c2ccc(C#N)cc2)c2nc3ccccc3n2C)n1 96891592 SIJFVLGDOOFWKS-GZTJUZNOSA-N 356.454 4.799 30 40 FJEB CC(=O)c1cccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1 408959647 CNGCNQFVRXSBLY-ZVHZXABRSA-N 373.408 4.917 30 40 FJEB CC1=NN([C@@H](C#N)c2ccc(Br)cc2O)[C@@H](c2ccccc2)C1 4783678 HFJPDWHCRYIMBR-SJORKVTESA-N 370.250 4.542 30 40 FJEB COc1cccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)c1 5509625 OHXWGFFYHALXMU-UHFFFAOYSA-N 362.458 4.798 30 40 FJEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccccc3)C(=O)N=C2S1 8452994 GFYGWWGGGLAURT-OFJKXKPBSA-N 354.479 4.666 30 40 FJEB CC(C)c1nc(OCc2ccccc2F)c(C#N)c2c1COC(C)(C)C2 12324789 ANOAFWNVATWYCI-UHFFFAOYSA-N 354.425 4.646 30 40 FJEB O=C(O)CCCC/C(=N\Nc1cc(Cl)cc(Cl)c1)c1ccccn1 16740318 QPRRIMVKBZWJHJ-CJLVFECKSA-N 366.248 4.850 30 40 FJEB CN(C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C1(C#N)CCC1 71833101 ZSDALNSJEXIMJO-CSKARUKUSA-N 356.878 4.986 30 40 FJEB Cc1cccc(C)c1/N=C1/NC(=O)/C(=C/C2=Cc3ccccc3OC2)S1 73692796 HMHXCVSSIWXXDK-WQRHYEAKSA-N 362.454 4.514 30 40 FJEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224928003 VOSMTHQEGJPYMB-UHFFFAOYSA-N 370.301 4.992 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(C)=O)c3)o2)SC1=S 408817541 XXMNYLHXEKTNQM-BOPFTXTBSA-N 369.467 4.536 30 40 FJEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1 408876112 MYKXNCLWTUGLIT-YBEGLDIGSA-N 358.850 4.549 30 40 FJEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)[C@H]1C(=O)c3ccccc3C1=N2 647700 JRXSRKAFTLYWSY-UYAOXDASSA-N 361.828 4.746 30 40 FJEB Cc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)o1 4975301 SPKLYTKADSWROG-CAOOACKPSA-N 362.252 4.920 30 40 FJEB Cc1csc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)n1 14076691 NDZMFKAINAIHAB-UHFFFAOYSA-N 374.535 4.587 30 40 FJEB N#Cc1cccc(C(=O)Nc2cccc(-c3noc(-c4ccccc4)n3)c2)c1 32609583 GUPFRZAFQZBITK-UHFFFAOYSA-N 366.380 4.528 30 40 FJEB Cc1cc2c(cc1/C=N\Nc1ccc(C(=O)O)cc1)[C@@H](C)CC(C)(C)N2C 208211067 UZNJFZIFHYHFAG-VRHSPDTKSA-N 365.477 4.861 30 40 FJEB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc(C)c(C)c1C#N 2790767 LURTXUDWXJQHRC-UHFFFAOYSA-N 362.882 4.996 30 40 FJEB C=CCOc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8534857 FEMZHLWIEYRZRK-DISFUBAWSA-N 355.522 4.955 30 40 FJEB COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(F)F)c(OC)c2)c1 12792071 HXNJIXOYBBRADW-VOTSOKGWSA-N 368.763 4.855 30 40 FJEB CC(C)c1ccccc1NCC(=O)Nc1sc2c(c1C#N)CCCC2 72314821 UOLJZTCZBAQBOH-UHFFFAOYSA-N 353.491 4.673 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 225873832 VQIFXHFRCIZTOA-UHFFFAOYSA-N 353.472 4.736 30 40 FJEB Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1C(C)(C)C 408968011 YOKHCCONCXNPIX-GZTJUZNOSA-N 371.481 4.891 30 40 FJEB C#CCOc1c(Br)cc(CNc2ccccc2C)cc1OCC 409116246 OWOVTHNNPFWSAA-UHFFFAOYSA-N 374.278 4.780 30 40 FJEB C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 537293138 ITYKBEMNHCULEM-IRXDYDNUSA-N 370.456 4.617 30 40 FJEB O=C(Oc1ccc2c(c1)O/C(=C\c1c[nH]c3ccccc13)C2=O)c1ccco1 2119853 VVFUVJQLTDZLKS-JMIUGGIZSA-N 371.348 4.596 30 40 FJEB biogenic O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1cc(Cl)cc(Cl)c1O 4526335 UNFYZUVMWHPMJM-SDQBBNPISA-N 368.603 4.697 30 40 FJEB Cc1ccc(C[C@H](C#N)Sc2nc3ccccc3c(=O)n2C(C)C)cc1 7007550 CVELDZQWCFDJQX-QGZVFWFLSA-N 363.486 4.513 30 40 FJEB N#Cc1c(NC(=O)Cc2ccc(Cl)s2)sc2c1CCCCC2 10060962 QXTPLZNUMMOFGU-UHFFFAOYSA-N 350.896 4.785 30 40 FJEB CN1C/C(=C/c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 13303265 MWLWIHNJMRZSMD-VRNBXGKJSA-N 358.268 4.975 30 40 FJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Cc3ccccc3)c2C)cc1 100212187 SBTMDYYULOWIFC-LFVJCYFKSA-N 360.457 4.890 30 40 FJEB COc1ccc(-n2cccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408953006 NTMNRASBWBWLCL-UDWIEESQSA-N 355.781 4.798 30 40 FJEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(C(C)C)c3C)S2)cc1 408960959 KJGRKTSUSOQXKA-WOJGMQOQSA-N 369.490 4.586 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 409088884 MBPOWXKGPAOCIA-LDADJPATSA-N 369.417 4.627 30 40 FJEB CC[C@@]1(C)Cc2c(sc(NC(=S)Nc3ccccc3)c2C#N)CO1 2259078 DOZPUYQBCQXENP-SFHVURJKSA-N 357.504 4.670 30 40 FJEB CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc1 2769344 OFKTVWJTEQYRLF-CYBMUJFWSA-N 354.475 4.786 30 40 FJEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(C)C)cc3)S2)cc1 4491583 KLGYTFIPJWOFPI-XDHOZWIPSA-N 366.486 4.921 30 40 FJEB Cn1c(N/N=C/c2ccc(OCc3ccccc3)cc2)nc2ccccc21 7343320 MSWHCOHKQPOADX-HZHRSRAPSA-N 356.429 4.598 30 40 FJEB C=CCn1c(C)cc(-c2csc(NC(=O)c3cc(Cl)ccn3)n2)c1C 32727682 QMJOEZHMCZCBBR-UHFFFAOYSA-N 372.881 4.715 30 40 FJEB CCOC(=O)c1cccc(/N=C\c2ccc(N3CCCCC3)cc2OC)c1 409233886 IHGWPMKNBRGMQN-KQWNVCNZSA-N 366.461 4.613 30 40 FJEB O=C(Nc1c(Cl)cccc1Cl)C(F)(F)C(F)(F)OC(F)(F)F 3151303 PGYLEDBIXALFCU-UHFFFAOYSA-N 374.039 4.696 30 40 FJEB O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccnc1 98053758 CVWXEAMDMUPTTM-OQFOIZHKSA-N 364.332 4.817 30 40 FJEB Cc1ccccc1[C@H](C=O)[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 103116666 GXLSWHSOPYHFSO-FCHUYYIVSA-N 368.432 4.757 30 40 FJEB Cc1ccccc1COc1c(Cl)cc(/C=N\O)cc1Br 216910685 LOFBNTCUGOJZIR-LSCVHKIXSA-N 354.631 4.798 30 40 FJEB CC[C@H]1CCc2c(sc(NC(=O)CCc3ccc(OC)cc3)c2C#N)C1 2741809 DNKGIWZIPXBKQP-AWEZNQCLSA-N 368.502 4.715 30 40 FJEB Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N/N=C/c1ccc(Cl)cc1 4898445 NTCGKDFEOMGGGM-CHFFKMNDSA-N 371.893 4.502 30 40 FJEB COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N=C2O)ccc1O 6641561 DJQPYOSQXAQHPT-DHDCSXOGSA-N 360.822 4.786 30 40 FJEB O=C(/C=C\c1ccccc1)c1cc(C(=O)/C=C/c2ccccc2)c(O)cc1O 8665430 CAAJXTJDBCGUNB-HEEUSZRZSA-N 370.404 4.890 30 40 FJEB C=CCOc1cccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)c1 44884566 FOZROOYFFKLMNT-UHFFFAOYSA-N 369.461 4.620 30 40 FJEB C[C@H](N[C@H](C)C(=O)Nc1sccc1C#N)c1ccc(Cl)cc1Cl 57815974 YWJBVJCTTCMDTH-VHSXEESVSA-N 368.289 4.604 30 40 FJEB CCn1c2ccccc2c2cc(/N=C3/C(=O)N(C)c4ccccc43)ccc21 104088631 BROGKPBGBFHTDH-ZNTNEXAZSA-N 353.425 4.912 30 40 FJEB C=CCNC(=O)c1ccc(OCC)c(COc2ccc(Cl)c(C)c2)c1 224540058 GUTJAOPOKZUWMT-UHFFFAOYSA-N 359.853 4.542 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)cc1 408806545 BEPBEVDDYFHAFR-UNOMPAQXSA-N 361.470 4.687 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 1757800 IEERAOYPTAYLRH-ATVHPVEESA-N 371.458 4.796 30 40 FJEB C(=C/c1ccco1)\C=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 4195028 AJSDPHQAEYBEBF-VMDSVTINSA-N 367.412 4.910 30 40 FJEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2\C[C@@H]3C=CC[C@H]23)c1 8936520 OOLPSPFENZMUGE-UJPOCBBSSA-N 359.804 4.597 30 40 FJEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCC 10119107 VMVKJVYCJVCUIT-WSDLNYQXSA-N 367.276 4.915 30 40 FJEB Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)o1 12858654 RMVUDZZMZNRVBR-UCBHFQESSA-N 372.376 4.823 30 40 FJEB biogenic Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(F)cc2)cc1 95851159 OMETVNRHDMJBAM-HYARGMPZSA-N 368.433 4.686 30 40 FJEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\Cc3ccccc3C2=O)o1 409368875 QRKJHHYVMSZGJN-SDNWHVSQSA-N 361.353 4.686 30 40 FJEB O=C(OCC#CCSc1nc2ccccc2o1)c1cccc2ccccc12 2373862 NZVPHEXWFYLWQN-UHFFFAOYSA-N 373.433 4.934 30 40 FJEB O=C(OC/C(O)=N/c1ccc2ccccc2c1)c1ccc2ccccc2n1 2636576 ZUHUMYICBAKKDT-UHFFFAOYSA-N 356.381 4.833 30 40 FJEB Cc1cc(N[C@H](C#N)c2ccc(-n3ccnc3)cc2)ccc1Br 4025483 YLGVJDSVTYZFNQ-GOSISDBHSA-N 367.250 4.620 30 40 FJEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1 4867093 GHPCTUUGEYOACI-LFVJCYFKSA-N 373.456 4.857 30 40 FJEB COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 13406599 LNDLBUYMCOMVRK-DTQAZKPQSA-N 358.393 4.811 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccs1)OCO3 18197406 GRKAFZBSKLNUJO-GOSISDBHSA-N 353.443 4.677 30 40 FJEB CCCCCCCCC/C=C/C(=O)Nc1ccc(NS(C)(=O)=O)cc1 100709266 GATWHTBCSYXRNR-VAWYXSNFSA-N 366.527 4.694 30 40 FJEB Cc1cc(/C=N/Cc2ccc(C(=O)O)cc2)c(C)n1-c1ccc(F)cc1 408778617 IQPHHAKUFBNILU-YDZHTSKRSA-N 350.393 4.551 30 40 FJEB C[C@H]1CCc2sc(NC(=O)c3nc4ccccc4s3)c(C#N)c2C1 4069993 LJTBFKGLHFNFBO-JTQLQIEISA-N 353.472 4.607 30 40 FJEB Cc1cc2c(cc1C)C(=O)C(c1ccccc1)=C(NCc1ccccc1)C2=O 5016836 PKSHECLXAUOVSW-UHFFFAOYSA-N 367.448 4.884 30 40 FJEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)o1 6922169 QCUPNTDEMJIXLV-PDGQHHTCSA-N 374.352 4.508 30 40 FJEB Cn1c(SCc2ccccc2C#N)nnc1-c1ccc2c(c1)CCCC2 9193284 VKPFGSWTAYLWJJ-UHFFFAOYSA-N 360.486 4.525 30 40 FJEB CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 13550666 OLONUWUMGRYHFI-QRVIBDJDSA-N 370.404 4.938 30 40 FJEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cccc(C)c1)C2=O 20650726 SFQYRWRFSHVIPR-STZFKDTASA-N 365.473 4.939 30 40 FJEB CCCN(C(=O)c1cccc(C#N)c1)[C@@H](C)c1ccccc1Br 40122720 ICSGAMFSUSIMHD-AWEZNQCLSA-N 371.278 4.934 30 40 FJEB Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1F 84081330 LRYLKSMIHXAVQC-INIZCTEOSA-N 372.403 4.600 30 40 FJEB CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2)c(=O)c1C#N 1388917 AYJYUQHIQBZBSC-UHFFFAOYSA-N 366.873 4.811 30 40 FJEB aggregator N#Cc1ccc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc1 3274670 YKRNUCNXODVRBL-UHFFFAOYSA-N 361.398 4.735 30 40 FJEB N#C[C@]1(c2nc3ccccc3s2)Cc2c(F)cccc2N2CCCC[C@@H]21 3300100 FGTDCMHCEWBVMQ-TZIWHRDSSA-N 363.461 4.812 30 40 FJEB O=C1/C(=N\N(Cc2ccccc2)c2ccccc2)CCN1C1CCCCC1 6223073 QYPKGXVXJGQQSW-GYHWCHFESA-N 361.489 4.614 30 40 FJEB Cc1cs/c(=N\N=C\c2ccc(OCc3ccccc3Cl)cc2)[nH]1 11992191 NBRIMVJIGOLWHZ-KEBDBYFISA-N 357.866 4.552 30 40 FJEB C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccccc2OCC)c(O)c1 13127253 XRGFFJRDKKCRPQ-UHFFFAOYSA-N 366.417 4.928 30 40 FJEB CC1(C)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@]1(C)/C(=N/O)C2 100867674 FEVRAXSZZSFJDH-MCVCKHRISA-N 355.265 4.979 30 40 FJEB O=C1/C(=C\c2ccncc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408905641 BUZZAOOBFHSPIQ-ADGFTTEDSA-N 371.465 4.886 30 40 FJEB C=CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OCC)c2c1 1889186370 QXECAOUOSNBONL-UHFFFAOYSA-N 351.377 4.782 30 40 FJEB Cc1ccc(/N=C\C=C\c2ccc(Br)c([N+](=O)[O-])c2)c(O)c1 5542526 XBEGKMBQJCSNCI-ZNDCZADKSA-N 361.195 4.787 30 40 FJEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(OC)cc1 13806605 QRQSJXVYQPDKPL-MRCUWXFGSA-N 352.459 4.652 30 40 FJEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3ccccc3c2)c1O 16545725 PSPVOUKPNFTHHP-VXLYETTFSA-N 371.190 4.967 30 40 FJEB CN1/C(=C\C(=O)CSc2nc3ccccc3o2)C(C)(C)c2ccccc21 18062617 RDLZKYPCRRASPQ-UNOMPAQXSA-N 364.470 4.801 30 40 FJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 226336379 KIRGQMVLKJCOFR-YRNVUSSQSA-N 358.821 4.670 30 40 FJEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1NC(=O)c1ccccc1 409201260 KXGTUAHXQLIMDB-XKZIYDEJSA-N 351.837 4.893 30 40 FJEB N#Cc1ccc(C(F)(F)F)nc1N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 509473674 WWKYVOIQYXZIPB-BJWYYQGGSA-N 357.379 4.887 30 40 FJEB C=CCc1cccc2cc(C(=O)Nc3cc(Cl)ccc3C)c(=O)oc12 1075056 CAQXUSKKWWWNGQ-UHFFFAOYSA-N 353.805 4.736 30 40 FJEB CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 1959812 VCUNLHPXEPHSPX-CQSZACIVSA-N 368.502 4.885 30 40 FJEB O=[N+]([O-])c1ccc(Cl)c(/C=N/Nc2nc3ccccc3s2)c1Cl 4133129 VHGCUUYCLNWCJE-REZTVBANSA-N 367.217 4.957 30 40 FJEB COc1ccc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2O)cc1 5210591 XDWGBYCMKJVFDS-NTEUORMPSA-N 360.409 4.876 30 40 FJEB Cc1cccc(-n2c(Sc3ccc(C#N)cn3)nnc2-c2ccccc2)c1 12522594 VJVZCIFBVLEOGL-UHFFFAOYSA-N 369.453 4.661 30 40 FJEB CCCCn1c(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)nc2ccccc21 19419157 QQLLWDZFNKVKII-UDWIEESQSA-N 352.394 4.509 30 40 FJEB CCOc1cc(/C=N/O)c(Br)cc1OCc1ccc(C)cc1 33703333 YSEQVIVLQJNUBT-VXLYETTFSA-N 364.239 4.543 30 40 FJEB Cc1ccc(/C(=N\c2ccccc2)NC(=S)N2CCCCCC2)cc1 36293402 MYYYOIPKTHYKOF-UHFFFAOYSA-N 351.519 4.824 30 40 FJEB C[C@@H]1C[C@@H]1C(=O)/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1 105774760 KQWZOGSDOXVTDB-FQGHXBBUSA-N 358.363 4.655 30 40 FJEB N#Cc1cc(Oc2ccc(Cl)cc2)c(-n2nnc3ccccc32)cc1C#N 992021 MCOMLOWNBUKUCF-UHFFFAOYSA-N 371.787 4.610 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2c1C 4849115 VHVYAOYXVGMZTR-RDTXWAMCSA-N 367.518 4.510 30 40 FJEB C=CCn1c(SCc2c(F)cccc2F)nnc1-c1cccc(OC)c1 5500679 XXDBBKHRMMCKHO-UHFFFAOYSA-N 373.428 4.710 30 40 FJEB C=CCc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(OC)c1O 8109011 WRJLOHFKJOBLRY-WSDLNYQXSA-N 352.459 4.692 30 40 FJEB C#Cc1cccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 12941084 ZHRNDIWKPLFNNW-UHFFFAOYSA-N 364.495 4.977 30 40 FJEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc2ccc(C(F)(F)F)nc2c1 48310373 NICIEUZSXGBVMY-UHFFFAOYSA-N 359.263 4.826 30 40 FJEB O=C1/C(=C/Nc2ccccc2F)Nc2ccc(Br)c(Cl)c21 100411310 JXBVQHQRJPIBHW-GHXNOFRVSA-N 367.605 4.803 30 40 FJEB Cc1ccc(Cc2c(N)cc(C#N)n2CCOc2ccc(Cl)cc2)cc1 225862952 DJTXQOXSNKLCNE-UHFFFAOYSA-N 365.864 4.574 30 40 FJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2c1 1354479 QNBDNLNQHXDPHX-UHFFFAOYSA-N 350.418 4.837 30 40 FJEB C=CC[n+]1c(-c2ccc([N+](=O)[O-])cc2)csc1Nc1ccccc1C 1463628 GHVHEWNPVITEDZ-UHFFFAOYSA-O 352.439 4.849 30 40 FJEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)cc1 4710550 ACMOMXGCVBDJFE-OAQYLSRUSA-N 356.425 4.808 30 40 FJEB N#Cc1c(COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cn2ccccc12 12941187 MADHCADUKABVAU-FNORWQNLSA-N 371.223 4.874 30 40 FJEB CN(C)c1ccc(/C=C2/CCc3ccccc3C2=O)cc1Br 16957844 MGZDXGBMBNPRFV-PTNGSMBKSA-N 356.263 4.728 30 40 FJEB COc1ccccc1/C=[N+](\[O-])c1ccc(-c2nc(-c3ccccc3)no2)cc1 80343835 WKLCGOFABVIOBU-MYYYXRDXSA-N 371.396 4.673 30 40 FJEB C=CCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225277176 BNTFEPXUMCSCGS-UHFFFAOYSA-N 352.503 4.688 30 40 FJEB COc1ccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)cc1 225884770 ZXQIQRUOCIHIBU-UHFFFAOYSA-N 369.424 4.944 30 40 FJEB Cc1ccc(OCCn2cc(C#N)c3cc(Br)ccc32)cc1 1015551 ZLFOOZRFPPHDEF-UHFFFAOYSA-N 355.235 4.663 30 40 FJEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1c[nH]c2ccccc12 5376628 KCJYCCIAWDSLOR-FRKPEAEDSA-N 371.824 4.852 30 40 FJEB CCN(C(=O)C1=Cc2cc(Cl)ccc2OC1)[C@@H](C)c1ccc(C#N)cc1 48333459 JOYSQPAOWJRTHV-AWEZNQCLSA-N 366.848 4.597 30 40 FJEB CC(=O)N(C)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 96429708 LZIXNEOJUYKRAM-LFVJCYFKSA-N 358.441 4.999 30 40 FJEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3C)c(OC)c1 100129795 NXOREQHWRSPARB-AWEZNQCLSA-N 362.429 4.623 30 40 FJEB C=C1C[C@]2(CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O 118936603 WGTHPOGRDPMMBQ-ZGIWMXSJSA-N 356.506 4.552 30 40 FJEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(C)c(OC)c3)sc1CC2 408722359 HPPOSRFTSVZUKI-WSDLNYQXSA-N 364.470 4.985 30 40 FJEB CCOCCN1C(=O)/C(=C/c2ccc(C)s2)S/C1=N/c1ccccc1 408928824 LAAMREODGKPDLK-CAUPHXMNSA-N 372.515 4.697 30 40 FJEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(Br)cc1)C2 970428 VXYHEEIGJJGNHL-DVHZECOWSA-N 350.256 4.808 30 40 FJEB Cc1cccc(NC(=S)N/N=C/c2cccc(C(F)(F)F)c2)c1C 3328809 OHSYJBJVFYSHFF-UFFVCSGVSA-N 351.397 4.643 30 40 FJEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O 5791208 IJGWBVHPNOYBOJ-HTIXJGPSSA-N 365.502 4.548 30 40 FJEB Fc1ccccc1N/C(S)=N\Nc1ncc(C(F)(F)F)cc1Cl 8680913 XCEPWIOAHYKZKV-UHFFFAOYSA-N 364.755 4.618 30 40 FJEB CCCCOc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1OCC 15352712 ZSOXKPSPBRDBGN-JXMROGBWSA-N 370.445 4.875 30 40 FJEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3O)oc2c1 17822975 SXIASZKNAHIKKD-FOKLQQMPSA-N 372.380 4.988 30 40 FJEB CC(C)c1ccc2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1 35288882 PEIKVJHPTLVHNR-UHFFFAOYSA-N 367.518 4.771 30 40 FJEB C[C@H]1C[C@H](C)CN(C/C(O)=N/c2nc(-c3c[nH]c4ccccc34)cs2)C1 49655138 SMTGSHJWNMDDKA-KBPBESRZSA-N 368.506 4.857 30 40 FJEB CC(=O)Nc1cccc(C(=O)/C=C/c2csc(-c3ccsc3)n2)c1 63275546 VJISGMHZEUHTCH-AATRIKPKSA-N 354.456 4.726 30 40 FJEB C=CCOC(=O)c1ccc2oc(-c3ccc(Br)cc3)nc2c1 73634083 QGIARNNANMVQLB-UHFFFAOYSA-N 358.191 4.600 30 40 FJEB C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 75609911 JRPDKDFQXOHRIK-LLVKDONJSA-N 359.307 4.767 30 40 FJEB C=C(C)COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219789032 HWVHXNLDSJGAKY-IBGZPJMESA-N 351.446 4.674 30 40 FJEB CCCCCn1c(/N=C/c2cc([N+](=O)[O-])ccc2O)nc2ccccc21 2270015 QSKBFFNQRSOGFD-DEDYPNTBSA-N 352.394 4.591 30 40 FJEB C/C(=N\Nc1ncc(-c2ccccc2)cn1)c1ccc(Br)cc1 4713099 XRRQHJZUICADKS-LPYMAVHISA-N 367.250 4.742 30 40 FJEB COc1ccc2ccccc2c1/C=N/Nc1ccc(Cl)c(C(=O)O)c1 4924496 JBDKYAIKVYKLLM-SRZZPIQSSA-N 354.793 4.646 30 40 FJEB Cc1ccccc1/N=C/c1cc(Br)c(O)c(Br)c1 5548985 FULJYUQPNYQHJV-CAOOACKPSA-N 369.056 4.976 30 40 FJEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 14396754 DCYGMZZZWDQENG-OAHLLOKOSA-N 359.853 4.928 30 40 FJEB C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 216848269 QPKRMOATQDSLQM-UHFFFAOYSA-N 353.176 4.502 30 40 FJEB COc1ccc([C@@H]2N=C(SC)N(c3ccccc3)C(C)=C2C(C)=O)cc1 408731668 OREGCAQTEVYWQN-FQEVSTJZSA-N 366.486 4.839 30 40 FJEB C/C(=N\OC(=O)c1ccc(F)cc1)c1sc(-c2ccccc2)nc1C 4050432 TVADFMSOCYRRNB-LPYMAVHISA-N 354.406 4.839 30 40 FJEB COc1ccc2c(c1)N(C)/C(=C\C=C\C=N\c1ccc(C(=O)O)cc1)S2 5248280 AGUULNLLHJXMQV-TVKAPLGMSA-N 366.442 4.735 30 40 FJEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccccc2Cl)S1 6870652 ZITNAAPPJVTAPD-WJDWOHSUSA-N 358.850 4.630 30 40 FJEB Cc1cccc(NC(=O)CO/N=C/c2ccc(OCc3ccccc3)cc2)c1 8429631 VFQMCYKUFSONQP-BUVRLJJBSA-N 374.440 4.563 30 40 FJEB COc1ccc([C@@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1 15167602 HEBBLJSEIVNQFE-HXUWFJFHSA-N 368.440 4.687 30 40 FJEB CC(C)(CO)/N=C1\C=CC2=N[C@@]34CCCC[C@@H]3CC3=C(CCCC3)N4C2=C1 16034662 PMYKIAMZZBNQCU-WWWUAPMJSA-N 365.521 4.527 30 40 FJEB CN(/N=C\c1ccccc1)C(c1ccccc1)N(C)/N=C\c1ccccc1 31647899 OTAJGECFDSUQPP-GJEUYDLNSA-N 356.473 4.617 30 40 FJEB CC(=O)/C=C(\C)Nc1noc(N/C(C)=C/C(C)=O)c1/N=N/c1ccccc1 34088270 ZNPDGMNBVLMMMD-GOMQYYSOSA-N 367.409 4.899 30 40 FJEB O=C(/C=C/Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)OCO2 44842817 VGJLOQYOFKQQNY-AATRIKPKSA-N 369.726 4.896 30 40 FJEB O/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 108010524 DTCKKWOEXISAIE-RGVLZGJSSA-N 356.219 4.989 30 40 FJEB Nn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N/N=C1CCCCC1 409379292 WPJWOYNVQMYBCF-DARPEHSRSA-N 362.502 4.818 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)C[C@@]34CCCC[C@@H]3C4(F)F)n2)cc1 598799122 AHXZXOUZRQHDGS-YJBOKZPZSA-N 373.428 4.836 30 40 FJEB Cc1cc(/C=N/Nc2ccccn2)c(C)n1-c1ccc(Br)cc1 5739667 GYBXJQZTWSFAKK-CIAFOILYSA-N 369.266 4.698 30 40 FJEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2\C[C@@H]3C=CC[C@@H]23)c1 8936532 OOLPSPFENZMUGE-BXNVFWRBSA-N 359.804 4.597 30 40 FJEB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)Br 575360904 LFYJHRKTZCYZRI-UHFFFAOYSA-N 371.021 4.895 30 40 FJEB Oc1ccccc1OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083811125 ZAUBXODPFQFYPM-UHFFFAOYSA-N 356.184 4.834 30 40 FJEB CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 1218676 FEJAOOZIOHPPQD-QFIPXVFZSA-N 361.489 4.975 30 40 FJEB biogenic O=[N+]([O-])c1cc(Cl)c(O)c(/C=N/c2ccc3c4c(cccc24)CC3)c1 5583034 MZXKXCXFMGKWHM-UFFVCSGVSA-N 352.777 4.956 30 40 FJEB N#Cc1ccc([C@@H]2CC=CS2)nc1S[C@@H](C(=O)O)c1ccccc1 6757206 VQLIGSDFPVUZIU-JKSUJKDBSA-N 354.456 4.563 30 40 FJEB C=CCOc1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 13682912 GOUGDFYOXGYZAW-UHFFFAOYSA-N 372.273 4.500 30 40 FJEB Cc1cccc(C)c1/N=C1/NC(=O)/C(=C/c2cc(C)n(C3CC3)c2C)S1 24100419 STIYWZXKGPNIFO-WQRHYEAKSA-N 365.502 4.948 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2C)cc1 51318893 WHYIRBKJXLVTNZ-ZHACJKMWSA-N 360.251 4.965 30 40 FJEB CC/N=c1/scc(-c2ccc(F)cc2)n1/N=C/c1ccc(CC)cc1 102960630 OIEQPXQELOTWMY-YKMYIHFSSA-N 353.466 4.721 30 40 FJEB COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)c1 408738541 LSPGYUXNIRXELZ-YVLHZVERSA-N 372.877 4.857 30 40 FJEB C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)ON=C1c1ccccc1 409084697 XFQBAFCHDGJRBN-GDNBJRDFSA-N 374.223 4.903 30 40 FJEB O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1c1ccccc1 1387562 AEHHQTRTSQJERJ-ATJXCDBQSA-N 362.816 4.939 30 40 FJEB Cc1cc(SCC(=O)c2ccccc2)n2c(nc3ccccc32)c1C#N 2454083 CTUBFNDYYKRVGU-UHFFFAOYSA-N 357.438 4.643 30 40 FJEB CCOc1ccccc1/C=N/N=C(/C(=O)c1ccccc1)c1ccccc1 3374086 UKQHQWRPCUICBG-GIHPTVFISA-N 356.425 4.791 30 40 FJEB C=CCn1c(C)cc(-c2csc(NC(=O)c3ccccc3F)n2)c1C 6288126 OSFSXEQFJWFLCG-UHFFFAOYSA-N 355.438 4.806 30 40 FJEB COC(=O)c1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1 8811444 CNGVZPHULISPLC-YDZHTSKRSA-N 368.820 4.510 30 40 FJEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1F 101473660 XYAOOMUTARPWQR-UHFFFAOYSA-N 356.159 4.785 30 40 FJEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/C[C@H]3C=CC[C@@H]23)c1 138335790 OOLPSPFENZMUGE-KJJHHQFJSA-N 359.804 4.597 30 40 FJEB Cc1ccc(OCCn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)cc1 225861747 IPGGRYUEZIZAAY-UHFFFAOYSA-N 365.864 4.574 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)C[C@]34CCCC[C@H]3C4(F)F)n2)cc1 598799107 AHXZXOUZRQHDGS-CRAIPNDOSA-N 373.428 4.836 30 40 FJEB CC(=O)Nc1sc(N/N=C/c2ccccc2)nc1-c1ccc(C)cc1 4981423 BJQNNCGQNJWQMZ-UDWIEESQSA-N 350.447 4.523 30 40 FJEB C=CCN(Cc1cccs1)Cn1nc(-c2ccccc2OC)oc1=S 14189253 WEFNKMICUFYQGN-UHFFFAOYSA-N 373.503 4.588 30 40 FJEB Fc1ccccc1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1 19848780 VPNLYLUYXLCDOF-LGUFXXKBSA-N 373.475 4.567 30 40 FJEB C[C@H](Sc1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 64037825 IOFCBTFIBLLEML-LBPRGKRZSA-N 372.515 4.714 30 40 FJEB N#CCN(C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C1CC1 65894871 WXHADOXEFNWZKM-UHFFFAOYSA-N 358.772 4.702 30 40 FJEB CCCCCCCNC(=O)CCCC(=O)N1c2ccccc2CC[C@@H]1C 98045642 LJUXPPHTOIHGRZ-SFHVURJKSA-N 358.526 4.611 30 40 FJEB Cc1ccc2nc(N/N=C\c3cc(Br)ccc3O)sc2c1 98086921 UHDFGRWZPQVOAH-IUXPMGMMSA-N 362.252 4.519 30 40 FJEB CCn1c(N/N=C/c2ccc(C)c(Br)c2)nc2ccccc21 408692626 RAGCRYVSUTWQDS-YBFXNURJSA-N 357.255 4.573 30 40 FJEB N#Cc1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc2c1CCC2 4075743 IWVBXXXBOQTTDZ-UHFFFAOYSA-N 358.466 4.952 30 40 FJEB Cc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)c(C#N)cc2c1 4125300 DMVWMGSHHCKLGI-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB Cc1ccc(C(=O)/C=C/c2ccc(Br)s2)cc1[N+](=O)[O-] 5129874 IVSWKFNCJQIKAI-GQCTYLIASA-N 352.209 4.623 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c(C)c1 38361155 RWWAHZXGZBWTTQ-KDWIEBRMSA-N 352.459 4.546 30 40 FJEB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N 225762689 SSKNKUZIMASVCX-UHFFFAOYSA-N 366.436 4.937 30 40 FJEB CCOc1ccc(/C=N/c2ccc(C)cc2)cc1I 408905248 VXCGDUTUVPKPKX-WOJGMQOQSA-N 365.214 4.749 30 40 FJEB Cc1cccc(/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c1C 409201755 NVKFNOCYLYQTKJ-DNTJNYDQSA-N 352.217 4.824 30 40 FJEB N#Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 6218316 IGMLZDSTZRPJRT-UHFFFAOYSA-N 361.382 4.787 30 40 FJEB C=C(C)C(=O)Nc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1 8186509 FRPJNFULLIVLOA-LFYBBSHMSA-N 370.246 4.860 30 40 FJEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1 10032561 KCHGOYHYJKSABC-SFHVURJKSA-N 352.434 4.582 30 40 FJEB N#Cc1c(NC(=O)CCCSc2ccc(F)cc2)sc2c1CCC2 10218106 ALLFFCNOFPKPKT-UHFFFAOYSA-N 360.479 4.759 30 40 FJEB C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 12543994 MAEKIQGTSTVEBP-NRFANRHFSA-N 360.413 4.611 30 40 FJEB O/C(CNCc1ccccc1)=N\c1nc(-c2ccc(Cl)cc2)cs1 35312171 DCRSHJAKFGBBSD-UHFFFAOYSA-N 357.866 4.841 30 40 FJEB Oc1ccc(Br)cc1/C=N/c1ccc(Br)cc1F 44835852 ILVVOWFLCBPIQY-REZTVBANSA-N 373.019 4.807 30 40 FJEB N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCC1)c1nc2ccccc2o1 54733980 HFUMCTOOPMKHHP-HNNXBMFYSA-N 350.805 4.779 30 40 FJEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(C(F)(F)F)cc1 408967300 URPNGIPJFKHOCW-NTEUORMPSA-N 366.339 4.736 30 40 FJEB O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 409368136 TYNSRNLBUZXPFY-XMHGGMMESA-N 371.392 4.996 30 40 FJEB Cc1ccccc1OCc1nc(C#N)c(NCc2ccccc2Cl)o1 934551 TWIHWMVOGUWKLA-UHFFFAOYSA-N 353.809 4.699 30 40 FJEB CCOC(=O)[C@H](C#N)[C@H](c1ccc(Cl)cc1)c1c(C)[nH]c2ccccc12 1463357 PVJKDIOOVIGMKS-XLIONFOSSA-N 366.848 4.965 30 40 FJEB O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc2c(c1)OCCO2 4363344 QRNHVXYBMLRRAQ-ZRDIBKRKSA-N 372.420 4.933 30 40 FJEB COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(Cl)cc3)n2)cc1 5023725 LMNFYKFWOGHHPC-KQWNVCNZSA-N 368.849 4.812 30 40 FJEB C=CCOc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 5720255 QMGQPZZQTQSNCG-VQHVLOKHSA-N 373.246 4.919 30 40 FJEB Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1ccc(Cl)cc1Cl 8048441 KDLSEFVHVIEWIU-UHFFFAOYSA-N 370.206 4.822 30 40 FJEB C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OC)c(O)c1 18095839 SLIGTSUZRAYWEB-UHFFFAOYSA-N 366.417 4.847 30 40 FJEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C)cc2)S1 408862103 IFWZVTMQTJYHFY-SXGWCWSVSA-N 358.850 4.549 30 40 FJEB COc1ccc([C@H]2CCCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 1715762 MCABBJPUFYFWOF-NHCUHLMSSA-N 374.502 4.825 30 40 FJEB Cc1ccc(C(=O)NC2=N/C(=N/c3ccc(C)cc3C)c3ccccc32)cc1 6183963 SQVGTRRAJSWPLE-UHFFFAOYSA-N 367.452 4.880 30 40 FJEB CCCCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O 27638714 CTQQHQGBBMYJPT-XRZFIYGXSA-N 364.526 4.916 30 40 FJEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NC(C)C)o3)o2)c1 33027224 IYEQYGRLRNMRRF-UHFFFAOYSA-N 351.406 4.822 30 40 FJEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(Cl)c(Cl)c1 35339558 ZFFUBAZURKWAFB-QZAMUAOBSA-N 350.274 4.872 30 40 FJEB CC1(C)C=CN(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)C(S)=N1 59124566 WVZUTYJTXUWZRQ-UHFFFAOYSA-N 358.282 4.660 30 40 FJEB C=CCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100296055 UZECRIRVJZFHAY-IUCIOQMXSA-N 358.485 4.899 30 40 FJEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 214373316 ZYCGDNWZTOPGLR-LDADJPATSA-N 369.417 4.627 30 40 FJEB C=CCN(CC=C)C(=O)c1ccc2nc3ccc4ccccc4c3nc2c1 408722682 VVFJUUFAERKKKD-UHFFFAOYSA-N 353.425 4.750 30 40 FJEB N#Cc1cnc2c(Cl)cccc2c1NCc1ccccc1-c1ncc[nH]1 1652253107 WQEYZECXNVYBRK-UHFFFAOYSA-N 359.820 4.762 30 40 FJEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)C1CC1 711296 QXVDTEWJZYWSJU-UHFFFAOYSA-N 368.405 4.772 30 40 FJEB COC(=O)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 1799248 JIEQWSRGQSCTFO-UHFFFAOYSA-N 351.243 4.747 30 40 FJEB CCOC(=O)/C(=C/c1ccc(-c2ccc(SC(F)F)cc2)o1)C(C)=O 3172565 ROYYPRCUOZGASI-XNTDXEJSSA-N 366.385 4.797 30 40 FJEB Cc1ccc(C)c(-c2csc(N/N=C/c3ccc(N(C)C)cc3)n2)c1 4957155 BUTCZIXRCMCFSD-CIAFOILYSA-N 350.491 4.939 30 40 FJEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)nnc1C1CC1 12777708 NCVLQDFFIAKYOB-AWEZNQCLSA-N 370.522 4.584 30 40 FJEB O=[N+]([O-])c1ccc2c(c1)Cc1cc(/N=C\c3ccc4c(c3)OCO4)ccc1-2 100136601 WYFFTUUXAVQKJF-JJFYIABZSA-N 358.353 4.645 30 40 FJEB in-vitro C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(C)cc2)C1=O 408528763 HBRWPXISVWEZFQ-QGOAFFKASA-N 367.495 4.966 30 40 FJEB N#CCOc1ccccc1-c1nc(O)c2c3c(sc2n1)CCCCCC3 408997379 GNFHPJZAFLDDJN-UHFFFAOYSA-N 365.458 4.625 30 40 FJEB O=[N+]([O-])c1cccnc1N/N=C\c1ccccc1Sc1ccccc1 409075408 YIQXNKFPXYNFMR-MOSHPQCFSA-N 350.403 4.587 30 40 FJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)(C)C)s1 1059813 LTRPABRZOMJGMI-LJQANCHMSA-N 373.518 4.577 30 40 FJEB N#Cc1cc(-c2cccc(Cl)c2)cn(Cc2cccc(Cl)c2)c1=O 1391885 UBNFTNYSUVVQKJ-UHFFFAOYSA-N 355.224 4.742 30 40 FJEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(-n2ccnc2)cc1 5071399 FDHQUCVEIUKEJK-ZVHZXABRSA-N 361.836 4.910 30 40 FJEB CC(C)CCNC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N 12250960 MEVDCJUWYAZBLG-UHFFFAOYSA-N 373.909 4.528 30 40 FJEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc([N+](=O)[O-])c2C)n1 58391730 YRJALLAVIVHRDP-UHFFFAOYSA-N 367.352 4.789 30 40 FJEB C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)cc1 225490159 ZJMWUKKHAWAURH-LJQANCHMSA-N 356.491 4.698 30 40 FJEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OC(C)C 408596703 SYODSTSYGYQZPL-FSJBWODESA-N 372.852 4.948 30 40 FJEB O=C(/C=C/c1ccc2c(c1)OCO2)c1cccc(N2Cc3ccccc3C2)c1 408718623 KOPCCICKLNBBKI-CSKARUKUSA-N 369.420 4.832 30 40 FJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)cc1 408742834 QAVYCNNZCFBUDU-YDZHTSKRSA-N 350.393 4.770 30 40 FJEB CCc1ccc(/N=C2\NC(=O)[C@H](Cc3ccc(C)c(Cl)c3)S2)cc1 5809636 KSKCVIVTQUBRMW-KRWDZBQOSA-N 358.894 4.673 30 40 FJEB OC1=N/C(=N\c2ccc(Br)cc2)S/C1=C\c1cccnc1 6276609 QFEPAXZSKNRPNQ-JYRVWZFOSA-N 360.236 4.576 30 40 FJEB C=CCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 8471283 NBYQOIZXILXHID-UHFFFAOYSA-N 352.261 4.857 30 40 FJEB CN1/C(=C/C=C(\N=C(C#N)C#N)c2ccccc2)C(C)(C)c2ccccc21 17108589 FMSWLENMEXUPAV-ZFPLGESLSA-N 352.441 4.827 30 40 FJEB Cc1c(Cl)cccc1N(CCC#N)c1nnc(SCCC#N)s1 58144472 DRFGDQCYJJYVFX-UHFFFAOYSA-N 363.899 4.557 30 40 FJEB N#Cc1c(Cl)nsc1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 60875050 FXRCGRUJFXQQCU-UHFFFAOYSA-N 367.861 4.882 30 40 FJEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 216829438 NXQSWKIILCFNKC-UHFFFAOYSA-N 364.800 4.800 30 40 FJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c(OC)c2)C(=O)N1C 408908596 FXNXKIWRRHVYNC-NFYBBCHUSA-N 366.486 4.800 30 40 FJEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1OC 409053315 BVNJTGMZFXUYTM-HYARGMPZSA-N 367.474 4.972 30 40 FJEB CC(C)(C)c1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(C(C)(C)C)c1O 409071394 RBSNXUPOBQTDRU-WSDLNYQXSA-N 370.453 4.736 30 40 FJEB CCOC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 799904 YZQAGQSBRXWVTD-ZICWZVMQSA-N 372.446 4.708 30 40 FJEB Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3ccccc3n2)o1 2632683 WXWPHFJRAFFNNN-UHFFFAOYSA-N 353.381 4.927 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 4033295 PLQINMXGQMRFLK-SFHVURJKSA-N 359.473 4.750 30 40 FJEB N#Cc1ccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 6542393 OJTQNRNGCXRLOM-LJQANCHMSA-N 371.465 4.663 30 40 FJEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Cl)cc2)S1 6870630 UIJVTOULCWJIRW-WJDWOHSUSA-N 358.850 4.630 30 40 FJEB COC(=O)c1cccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1 10118797 BQGRZLXUQQOSCH-YDZHTSKRSA-N 368.820 4.510 30 40 FJEB Cc1c(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)sc2nccn12 333817448 IFPNIDVMLAAIEA-UWVGGRQHSA-N 370.503 4.576 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 1811353 PUDKAXWIFPVYET-AQTBWJFISA-N 367.495 4.966 30 40 FJEB Cc1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C#N)c1C 4570296 QBUMIDWZIWHQMH-UHFFFAOYSA-N 357.416 4.612 30 40 FJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C)cc3)c12 8026414 MYIJJGJTDQKTPC-BUHFOSPRSA-N 355.441 4.988 30 40 FJEB Cc1ccccc1CN1C(=O)CS/C1=N\N=C\c1cccc2ccccc12 13617913 GREONZALUIRYEX-KRLZMICPSA-N 373.481 4.614 30 40 FJEB CN1/C(=C/C=N/c2cc(Cl)c([N+](=O)[O-])cc2O)C(C)(C)c2ccccc21 34930615 KDKYQXLLCFCDKX-SFMPJNENSA-N 371.824 4.968 30 40 FJEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)S2)c1 59678206 BNCREGSGZJXKIP-XDHOZWIPSA-N 361.470 4.687 30 40 FJEB C=CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccc(OC)cc1 101328244 LFIUBYZDQHKQKU-YYDJUVGSSA-N 368.440 4.570 30 40 FJEB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1C#N 225851751 BKBLRONRLCBXJE-UHFFFAOYSA-N 358.482 4.805 30 40 FJEB C=CCc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)ccc1OC 223698687 VYYDGOBZKPXWPH-UHFFFAOYSA-N 367.489 4.530 30 40 FJEB CCCCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409032928 DWSHOZQZTGXPFC-AFPJDJCSSA-N 360.273 4.579 30 40 FJEB C=C(C)CSc1nnc(-c2ccccc2OC)n1CCc1ccccc1 7978393 PANYCHPENJBZIT-UHFFFAOYSA-N 365.502 4.865 30 40 FJEB C=C(C)COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219792223 LFEKGLVCCMTECF-HXUWFJFHSA-N 365.473 4.982 30 40 FJEB C=CCc1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)cc(OCC)c1O 408851876 AYROVXXVVQSMKK-NHDPSOOVSA-N 359.809 4.622 30 40 FJEB CCOc1cc2c(cc1/C=N/c1ccc(C)cc1Br)OCO2 409089009 MNYRKAOCYMQRPL-DJKKODMXSA-N 362.223 4.636 30 40 FJEB CC(C)Cn1c(SCc2ccccc2C#N)nnc1-c1ccccc1F 5977039 JKLXAPZEWVHLTH-UHFFFAOYSA-N 366.465 4.904 30 40 FJEB N#Cc1cccc(COC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 36245453 CIVYEIUELXPYIG-UHFFFAOYSA-N 366.269 4.842 30 40 FJEB C=CCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c12 36618413 HRFIBNTVBBAOPG-UHFFFAOYSA-N 373.387 4.612 30 40 FJEB COc1cc2c(cc1NC=C1C(=O)CC(C)(C)CC1=O)oc1ccccc12 103840682 TXFKDLBDCSXDPJ-UHFFFAOYSA-N 363.413 4.849 30 40 FJEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N 225681902 HIGGPIXWAPBHES-UHFFFAOYSA-N 366.436 4.935 30 40 FJEB Fc1ccc(/C=N/Nc2nc3ccccc3s2)cc1Br 8382106 HVBYGLGJUXBLOI-CAOOACKPSA-N 350.216 4.644 30 40 FJEB C=CCOc1ccccc1/C=C1\S/C(=N\c2cc(C)ccc2C)NC1=O 8410975 NJUUEDRKKUIVLS-UYRXBGFRSA-N 364.470 4.760 30 40 FJEB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C#N 225832562 UEHONGFZKAFSOO-KKSFZXQISA-N 358.482 4.661 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1cccs1 1076684 TWGWRMSVFGZOFG-OAHLLOKOSA-N 351.471 4.912 30 40 FJEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)CC(=O)N2c1ccccc1 2311442 FCATUGWLWLUEAV-KRWDZBQOSA-N 351.833 4.868 30 40 FJEB C=CCn1c([C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21 4033409 YYDPKDRXELAFAU-GOSISDBHSA-N 359.473 4.668 30 40 FJEB CCOc1cc(Cl)cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O 5871981 SWPMQLGJYMAWPW-SRZZPIQSSA-N 360.841 4.789 30 40 FJEB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C#N)cc2)cc1 6785577 LINJPYBQRDWKON-QFIPXVFZSA-N 369.424 4.728 30 40 FJEB N#Cc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1Cl 15574232 HFUDABVPWAQYJP-UHFFFAOYSA-N 360.800 4.695 30 40 FJEB Fc1ccc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 33350161 PHGXAPZNARQDQD-XHPQRKPJSA-N 373.475 4.567 30 40 FJEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1 214359023 HQVXCKOXGZIFKO-LDADJPATSA-N 369.417 4.627 30 40 FJEB C=C(C)COc1cccc(C(=O)NCCCc2cccc(OC(C)C)c2)c1 219788464 QLFAQGNAORMKHN-UHFFFAOYSA-N 367.489 4.791 30 40 FJEB C=CCn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2254766 AKRMZPHBLZNBAO-UHFFFAOYSA-N 366.530 4.965 30 40 FJEB Cc1c(/C=C/c2cccc(Oc3ccc(Cl)cc3)c2)n[nH]c(=O)c1C#N 7123585 LOKMKRIJLVFQLM-BJMVGYQFSA-N 363.804 4.566 30 40 FJEB COc1cccc2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)oc12 8960438 FYZORZKPEPFHNO-UHFFFAOYSA-N 352.415 4.506 30 40 FJEB Cc1cc(C)cc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)c1 12648634 LDCSJLYMJJCCCX-UHFFFAOYSA-N 352.441 4.979 30 40 FJEB N#Cc1ccc(CSc2nccn2-c2ccc(Br)cc2)cc1 14280798 MPONBTPDQBKCKK-UHFFFAOYSA-N 370.275 4.799 30 40 FJEB C(=N/c1ccc2c(c1)[C@H](N1CCOCC1)c1ccccc1-2)\c1ccccc1 17326631 AIYDZRXBGAPSRJ-MQHZAWOVSA-N 354.453 4.839 30 40 FJEB C=CCn1c(SCc2nccn2Cc2ccccc2)nc2ccccc21 40067275 VWXDGXOFRPBVBJ-UHFFFAOYSA-N 360.486 4.759 30 40 FJEB COc1cccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1 59104621 NWOCRLIMESNBSD-OEAKJJBVSA-N 361.397 4.723 30 40 FJEB Sc1ccccc1/N=C/c1cc(Br)c(N2CCCC2)o1 59250203 XEXWBQCVDUXIBW-LICLKQGHSA-N 351.269 4.682 30 40 FJEB C=C1C[C@]2(CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O 118936604 WGTHPOGRDPMMBQ-FBCDCLDFSA-N 356.506 4.552 30 40 FJEB CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@H](C)C1 225832663 FAJAIBHLIWGGNX-HRAATJIYSA-N 358.482 4.517 30 40 FJEB COC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)c1 408618717 FEDOFHSOWWWWOK-OUKQBFOZSA-N 359.425 4.777 30 40 FJEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)O)cc2)cc1OC 409377618 ISPCGCZWJJAVTC-OVMKCGGTSA-N 361.825 4.975 30 40 FJEB CC(C)(C)c1ccc(C(=O)/C=C\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1776111325 OYLGMDISFGYCCZ-KHPPLWFESA-N 369.377 4.609 30 40 FJEB C=CCn1c(SCc2cccc(C)c2)nc2sc(C)c(C)c2c1=O 2373945 TZKXKEGYOCDADA-UHFFFAOYSA-N 356.516 4.862 30 40 FJEB Cc1ccc2[nH]c(C)c(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)c2c1 6924175 PANZINKINWOQKT-TXNBCWFRSA-N 353.294 4.926 30 40 FJEB COc1cccc(C(=O)/C(=C/c2ccncc2)c2nc3ccccc3o2)c1 8990624 UMOIPOXUEMKMJP-AQTBWJFISA-N 356.381 4.655 30 40 FJEB Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C 16102173 APFOQEXEMMZGJP-FRKBGCJLSA-N 367.499 4.599 30 40 FJEB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 40156545 BFUMAYLRANENDZ-WMLDXEAASA-N 362.429 4.769 30 40 FJEB C=CCOc1cccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c1 211501642 AHYHIDLOPPAGBL-ATVHPVEESA-N 353.399 4.610 30 40 FJEB C[C@H](NC(=O)COc1ccc(/C=N\c2ccccc2)cc1)c1ccccc1 408806266 IMNADADMBZLMOQ-WSLHGYQHSA-N 358.441 4.693 30 40 FJEB CC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409242559 OOLDWDOAMAYTKV-RHJMSYDWSA-N 355.434 4.811 30 40 FJEB Cc1ccc(/C=C2\Oc3c(ccc4c3[C@H](CC(C)C)CC(=O)O4)C2=O)o1 604405015 OJXYGRKKVTXPKA-OMJMQIJPSA-N 352.386 4.643 30 40 FJEB biogenic C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 4477934 JWLZILSXRBYLTR-JFWNMISASA-N 367.492 4.881 30 40 FJEB Cc1ccc(C(=O)O/N=C(/c2ccncc2)c2ccc(Cl)cc2)cc1 4490413 OORMVRFQCHUKBR-FCDQGJHFSA-N 350.805 4.653 30 40 FJEB COc1cccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)c1 9460909 TTXAVSDIXCFEAV-UHFFFAOYSA-N 368.440 4.990 30 40 FJEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3CC(C)C)cc1 20746085 WCKZPDLSBWYOMC-RDJZCZTQSA-N 366.461 4.948 30 40 FJEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 33777414 OSXNECNAZOIBEG-HTIXJGPSSA-N 365.502 4.548 30 40 FJEB CCCCc1ccc(/N=C2/C(=O)N(CN(CC)CC)c3ccccc32)cc1 34897303 AWZHXCYZMYTPGH-ZNTNEXAZSA-N 363.505 4.796 30 40 FJEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2c(O)ccc3ccccc23)S1 59459387 QJSLRNIWIWRZJI-UNOMPAQXSA-N 360.438 4.745 30 40 FJEB C=CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(O)CCCC1=N2 101324166 VGXMQEXFCBDUMM-INIZCTEOSA-N 372.881 4.881 30 40 FJEB CCCCCCCNCc1cc(Br)c(OCC)c(OC)c1 102566592 FYLINZBEGVOUDH-UHFFFAOYSA-N 358.320 4.916 30 40 FJEB Cc1ccc(COc2cccc(/C=C3/C(=O)ON=C3c3ccccc3)c2)cc1 409086091 USPNWXKUUUQVHY-PXLXIMEGSA-N 369.420 4.919 30 40 FJEB C/C(=C1/C(=O)C[C@@H]2[C@@H]1C2(C)C)N(Cc1ccccc1)C(=O)c1ccccc1 1772491126 XXGFUSUNUFURBD-JQUVXGEVSA-N 359.469 4.848 30 40 FJEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 634045 USVJZGIOGXDHLZ-FQEVSTJZSA-N 359.425 4.648 30 40 FJEB CC(C)Oc1ccc([C@H](CC(=O)N(C)CCC#N)c2ccc(F)cc2)cc1 5478392 ZAUYSAKTEDUQFE-OAQYLSRUSA-N 368.452 4.507 30 40 FJEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2cnn3C(C)C)cc1 9458413 XIMVOHHZCWIYGI-IBGZPJMESA-N 365.477 4.673 30 40 FJEB C#CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45357404 QWJVHLKUOSQDLL-UHFFFAOYSA-N 359.473 4.813 30 40 FJEB C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1sccc1C#N 57815978 YWJBVJCTTCMDTH-NXEZZACHSA-N 368.289 4.604 30 40 FJEB O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cccc(N2CCOC2=O)c1 58392085 CTJARKOIVGMAHN-RMKNXTFCSA-N 361.319 4.558 30 40 FJEB CSc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1 59462530 FADDNSUPQNGWMQ-XNTDXEJSSA-N 360.891 4.954 30 40 FJEB C=CCOc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)c1 67192433 LZUWPOLENCCIHT-HSZRJFAPSA-N 373.452 4.779 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(F)c1 100634031 YKOYSCVOTKKGNJ-LJQANCHMSA-N 373.427 4.763 30 40 FJEB C=C(C)COc1cccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c1 219788556 RMOYPEJWRKKSHX-UHFFFAOYSA-N 367.489 4.791 30 40 FJEB CN1/C(=C/C(=O)/N=C(/c2ccccc2)C(F)(F)F)C(C)(C)c2ccccc21 3218968 IIRUENSQVALQOF-JFHXDWPSSA-N 372.390 4.876 30 40 FJEB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccncc1 5863410 MGSXAXOAQMTSOK-CMDGGOBGSA-N 371.465 4.951 30 40 FJEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(C(C)(C)C)cc1 8221902 XCDRXCHFSOTPCT-GYXJVLCKSA-N 367.445 4.725 30 40 FJEB Cc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)o1 13777318 HCJGLYYMECNNFB-JAIQZWGSSA-N 350.345 4.922 30 40 FJEB Cc1ccccc1CS[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 97101661 OAJAXKQBHGBRCN-MRXNPFEDSA-N 356.466 4.703 30 40 FJEB CCCCC(C)(C)[C@H](O)/C=C\[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O 111940719 MOTPSJUHMGPRFZ-YJPMGLEHSA-N 362.510 4.692 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1cccnc1 4459186 RQQFZQGTRXLHHI-FQEVSTJZSA-N 355.441 4.830 30 40 FJEB Cc1ccc(C(=O)O)cc1/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 4739141 ZYYHBYWHBVHWJN-SSDVNMTOSA-N 363.369 4.710 30 40 FJEB Cc1cc(C)nc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)n1 4897745 YNAQFQPKHRQEFX-WSDLNYQXSA-N 366.852 4.772 30 40 FJEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(Br)c1 5416641 YNBAPOZUDZSGRP-GIJQJNRQSA-N 367.630 4.637 30 40 FJEB CC(C)Oc1ccc([C@@H](CC(=O)N(C)CCC#N)c2ccc(F)cc2)cc1 5478391 ZAUYSAKTEDUQFE-NRFANRHFSA-N 368.452 4.507 30 40 FJEB O=C(/C=C(\O)c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)F 9113074 VEDHCVWFDRRRSA-YVMONPNESA-N 350.617 4.641 30 40 FJEB Cc1nn(-c2ccccc2)c2c1/C(=N/OC(=O)c1ccccc1)CC(C)(C)C2 16739543 GOHISOXBJQXNOR-NCELDCMTSA-N 373.456 4.714 30 40 FJEB O=C(/C=C/Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2 44842450 PZOHMXSDIDKBHC-OUKQBFOZSA-N 373.408 4.803 30 40 FJEB CCc1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 102424670 MWNVFRSEKXYUOL-QGMBQPNBSA-N 354.631 4.827 30 40 FJEB O=C1Oc2ccccc2N/C1=C(/N=N/c1ccccc1)C(=O)c1ccccc1 105369805 JNMARGMUBVDBIE-WMBONIIHSA-N 369.380 4.896 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1(F)F 169795911 NGEYGRCDNBGSKG-DMKSXPFUSA-N 358.175 4.546 30 40 FJEB CCCCC/C(=C\B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1 169807878 KBMWLQPDFRGVTD-CCEZHUSRSA-N 350.117 4.756 30 40 FJEB C=CCNC(=O)c1ccc(OCC)c(COc2cccc3ccccc23)c1 224628210 ZRYJMJILJINBAC-UHFFFAOYSA-N 361.441 4.733 30 40 FJEB C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1OC(C)=O 253388415 TUKYTUMQZQFKNX-XBWUDYBRSA-N 360.494 4.748 30 40 FJEB biogenic,in-vitro C=CCN1C(=O)N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 409128315 DMRWAWTWGRPFRA-VBKFSLOCSA-N 370.861 4.570 30 40 FJEB Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)c1 3022036 HZDRZFXFOUCZJE-FRKBGCJLSA-N 367.499 4.599 30 40 FJEB Cc1ccc(N/N=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c(C)c1 4175527 DSYQVXDOZLSUPX-ULJHMMPZSA-N 350.422 4.906 30 40 FJEB CCC(=O)O[C@H]1[C@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4726330 AFBZBYQKIMBONK-ZELOLHMESA-N 362.485 4.788 30 40 FJEB biogenic,in-vitro C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2C)NC1=O 8410615 YFVVIIXJDGFMIB-UYRXBGFRSA-N 364.470 4.760 30 40 FJEB N#Cc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 29476550 USEJYDVIRCGQAB-UHFFFAOYSA-N 360.800 4.695 30 40 FJEB CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](O)CO 44117939 ILMOLWSTFFMGGB-HXUWFJFHSA-N 357.579 4.717 30 40 FJEB in-vitro CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CC 408930090 RXLPHVDUQYMLJD-KIOXBDSISA-N 366.486 4.578 30 40 FJEB COC(=O)c1ccc(Cl)c(/N=C/c2cccc(OC)c2OC(C)C)c1 409017216 XWCAKSDYYHIIIE-SRZZPIQSSA-N 361.825 4.673 30 40 FJEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccccc1F 409076459 ANTUZYWBPYRCKP-RGEXLXHISA-N 373.383 4.749 30 40 FJEB C=CCOc1c(CC=C)cc(CNc2ccc(OCC)cc2)cc1OC 409110743 GGSHTTFSJBNJQS-UHFFFAOYSA-N 353.462 4.999 30 40 FJEB CC(=O)Nc1ccc(Oc2cc(C#N)c(C#N)cc2Oc2ccccc2)cc1 1264300 SCIABUNQJFPVGJ-UHFFFAOYSA-N 369.380 4.973 30 40 FJEB C=CCc1cccc(/C=N/c2sc3c(c2C(=O)OCC)CCCC3)c1O 1508741 WENRTDWWAAZLDW-LPYMAVHISA-N 369.486 4.988 30 40 FJEB COc1cc(/C=N/Nc2ccccn2)ccc1OCc1ccccc1Cl 5658156 NCFXDGGOBIFUPB-YDZHTSKRSA-N 367.836 4.769 30 40 FJEB COc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1OC 20195855 DYXPSSGBWARJPR-YDZHTSKRSA-N 370.836 4.741 30 40 FJEB C[C@@H]1CCc2c(sc3ncnc(N/N=C\c4ccc(Cl)cc4)c23)C1 31851593 SWYIRPDKBLMFEC-UBENZQOVSA-N 356.882 4.916 30 40 FJEB N#Cc1ccccc1CSc1nnc(COc2ccc3ccccc3c2)o1 409006662 KJPFRUWWVNEGFP-UHFFFAOYSA-N 373.437 4.966 30 40 FJEB C=CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)C[C@H](C)C2 1290149613 DWIXJOZWDGBYLV-RIBQPWQFSA-N 358.441 4.867 30 40 FJEB Cc1ccc(-c2cn3ccccc3[n+]2CC(=O)c2ccc(Cl)cc2)cc1 1824401 LHHSNAOMZPDSFW-UHFFFAOYSA-N 361.852 4.739 30 40 FJEB C#CCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2s1 6312110 ODSPSTHCONCHAS-HYARGMPZSA-N 357.438 4.908 30 40 FJEB CCn1cc(/C=C2/Oc3c(ccc(OC(C)=O)c3C)C2=O)c2ccccc21 8990123 LHPXQWNLVJCOEG-RGVLZGJSSA-N 361.397 4.511 30 40 FJEB C=CCOc1ccc(CNc2ccc(Br)cc2C)cc1OC 408609348 NADIVWHEGFSMJQ-UHFFFAOYSA-N 362.267 4.943 30 40 FJEB COc1cccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1O 408718134 LLTYSNZJWHVUKI-OEAKJJBVSA-N 371.396 4.868 30 40 FJEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccc2C)C1=O 408996619 JISGYAXJJGBKGX-LGMDPLHJSA-N 365.454 4.539 30 40 FJEB Clc1cc2c(cc1/C=N/c1c(-c3ccco3)nc3ccccn13)OCO2 1059509 WNCIYCGWKFDBCP-UFFVCSGVSA-N 365.776 4.727 30 40 FJEB CC1(C)Cc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C#N)C(C)(C)N1 2374336 GUZMNHDMSMQGGV-UHFFFAOYSA-N 373.909 4.685 30 40 FJEB CN(C)/C=C/C(=C/C(=O)C(F)(F)F)Nc1ccccc1-c1ccccc1 4053427 GNLHDWIQRLYGEU-LIACPWMRSA-N 360.379 4.856 30 40 FJEB C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12854069 IHYNHBDRMNEGGM-GFCCVEGCSA-N 373.909 4.981 30 40 FJEB COc1ccc(/N=C2/S/C(=C\c3ccc(C)o3)C(=O)N2CC(C)C)cc1 13470970 ZVADKSUXXXGOOQ-HVEIJDALSA-N 370.474 4.857 30 40 FJEB O=c1oc2ccccc2c(NC2CCCC2)c1N/C(O)=N/c1ccccc1 28048909 HFEQUSRWAAWEPW-UHFFFAOYSA-N 363.417 4.805 30 40 FJEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3C)cc1OC 100128247 WRMUJTZBRFYZLU-HNNXBMFYSA-N 362.429 4.623 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C2/CCC[C@@H]([C@H]3C[C@@H]4CC[C@@H]3C4)C2)c([N+](=O)[O-])c1 101646176 WTOSTGMJQPXDNC-GGRIVQIFSA-N 372.425 4.897 30 40 FJEB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC(C)CC1 225834950 PZMXNGUKNNSLDX-TZQQIIETSA-N 358.482 4.659 30 40 FJEB COC(=O)COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1 408808305 FLTVJAFDWLQMBN-AFPJDJCSSA-N 371.742 4.661 30 40 FJEB CN(C)[C@H](CNc1oc(C2CCCCC2)nc1C#N)c1ccc(Cl)cc1 1775976510 NLLCVYZTLLZUEC-GOSISDBHSA-N 372.900 4.962 30 40 FJEB Cc1ccc(C)c2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)c(C#N)cc12 933892 QMVKRTIINCIVPF-KDOFPFPSSA-N 367.518 4.510 30 40 FJEB C(=N/N=c1\scc(-c2ccccc2)n1Cc1ccco1)\c1ccccc1 1466329 NIWOBIQZMWJMHV-BXWNHYELSA-N 359.454 4.793 30 40 FJEB N#Cc1ccc(Oc2cccc(C(=O)OCc3ccccc3)c2)cc1C#N 2751231 MOZUHVCPEBQBKL-UHFFFAOYSA-N 354.365 4.579 30 40 FJEB C=CCn1c([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2)nc2ccccc21 4033326 GINZMFLBWPDQFB-OAHLLOKOSA-N 365.864 4.705 30 40 FJEB Cc1csc([C@@H](C#N)C(=O)CSc2cc(C)c3cccc(C)c3n2)n1 6606694 HGECFQKGEJQSCY-HNNXBMFYSA-N 367.499 4.585 30 40 FJEB C=CCOc1ccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc1OC 6640713 FYNQHNNYJFMOKG-CSKARUKUSA-N 361.397 4.677 30 40 FJEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cn1 225933138 OIZQEVNGKXSIEQ-UHFFFAOYSA-N 350.462 4.795 30 40 FJEB C=CCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1ccccc1C 252669051 GHVHEWNPVITEDZ-UHFFFAOYSA-N 351.431 4.852 30 40 FJEB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21 409157411 QTIDDCTVNLBTHL-DBXWQHBBSA-N 361.401 4.632 30 40 FJEB Cc1cc2c(cc1C)[C@@](O)(C#Cc1ccccc1)c1c(C)ccc(C)c1C2=O 1564278 FRMGFUBLZJXOMI-SANMLTNESA-N 366.460 4.752 30 40 FJEB Cc1cc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c(O)c([N+](=O)[O-])c1 4354423 VCUNEUCRXMESGK-WSDLNYQXSA-N 372.384 4.903 30 40 FJEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3Nc4ccccc4N32)cc1 9378963 RHBCPBREBOUHCY-NRFANRHFSA-N 373.456 4.681 30 40 FJEB CCCCOc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 22996499 LNOPMJRAFOYIJG-UHFFFAOYSA-N 373.250 4.701 30 40 FJEB CCO[C@H]1Oc2ccccc2C(=O)/C1=C\C=C1\Sc2ccccc2N1C 28294702 BRPCBVPYADOHDE-UISPKOQMSA-N 365.454 4.634 30 40 FJEB CN(C)/C=C(/C=C/C(=O)/C=C/C(=C/N(C)C)c1ccccc1)c1ccccc1 55146209 RHIYEEQNVNGLLD-CGJMZHHMSA-N 372.512 4.873 30 40 FJEB CC(=O)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 408844545 DNUNHIYQNYIQTK-YBFXNURJSA-N 361.239 4.596 30 40 FJEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 408960820 OJBSMNXMQYANMI-SRZZPIQSSA-N 364.357 4.920 30 40 FJEB Oc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409097014 LUEHBHVCZVYMJQ-DENHBWNVSA-N 350.127 4.559 30 40 FJEB CCOc1ccc(/C=N/c2ccc(NC(=O)c3ccco3)c(OC)c2)cc1 680990 SWAZYJVHGVCKIL-HYARGMPZSA-N 364.401 4.690 30 40 FJEB CCN(CC)c1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(O)c1 4863651 HGRBFODIGYAYGZ-YDZHTSKRSA-N 368.868 4.886 30 40 FJEB Cc1nc(SCc2cc(Cl)cc3c2OCOC3)c(C#N)c(C)c1C 5089275 SGKGFUWWRFIKMH-UHFFFAOYSA-N 360.866 4.691 30 40 FJEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCCC[C@H]2C)n1 19820596 SZSNOOPZQNSUMU-GFCCVEGCSA-N 358.898 4.769 30 40 FJEB CCCCCCCCOC(=O)COCC(=O)OCCCCCCCC 100313421 RIDUWSCSWADNHH-UHFFFAOYSA-N 358.519 4.810 30 40 FJEB CC#C[C@]1(OS(=O)(=O)c2ccc(C)cc2)CC[C@H](c2ccccc2)CC1 101378262 RKWRXALQHDEUSM-AQYVVDRMSA-N 368.498 4.820 30 40 FJEB Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(Cc2ccncc2)cc1 6792380 XXIMPLMDXXTIJI-PCLIKHOPSA-N 368.440 4.623 30 40 FJEB C/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1C 13470966 MYIUZWKRLJAZPW-FMPUCSDASA-N 364.879 4.616 30 40 FJEB C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1 17858262 FHWZHNLEUUCFPV-UHFFFAOYSA-N 350.418 4.721 30 40 FJEB CCCN(Cc1ccc(C#N)cc1)C(=O)CCCSc1ccccc1 32796980 LOWGGGGTSBRKTH-UHFFFAOYSA-N 352.503 4.869 30 40 FJEB CCOc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1OC 33374198 PBJAGMWOEBTJHG-WMZJFQQLSA-N 361.235 4.753 30 40 FJEB Cc1ccc(C[C@H](C#N)Sc2nnc(C(C)C)n2Cc2ccco2)cc1 48314836 ROQVAHVBRIIJDX-GOSISDBHSA-N 366.490 4.578 30 40 FJEB Cc1ccc(C(=O)OCC#CCSc2nc3cc(Cl)ccc3o2)cc1 4704608 KCVUJDIOSOQMHS-UHFFFAOYSA-N 371.845 4.742 30 40 FJEB Cc1sc2ncnc(N/N=C/c3ccc(Br)cc3)c2c1C 5066793 FGNNYQCZBPOXEX-FBCYGCLPSA-N 361.268 4.517 30 40 FJEB CC(=O)c1cc(C#N)c(SCc2csc(-c3ccccc3)n2)nc1C 9390264 LMYHULXULPFHCQ-UHFFFAOYSA-N 365.483 4.880 30 40 FJEB C=CCSc1nc(C(F)(F)F)c(C(=O)c2cccs2)cc1C#N 9419102 XFSUVSSFQABCTP-UHFFFAOYSA-N 354.378 4.543 30 40 FJEB C=CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1 33749821 RZJGYUZZBFYMNQ-UHFFFAOYSA-N 366.486 4.875 30 40 FJEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(F)cc3)cc2)cc1 100142476 KOMHWADXCNYHHP-OYKKKHCWSA-N 362.404 4.902 30 40 FJEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc21 208456491 IRKNOMFSZPWTPL-LPYMAVHISA-N 364.449 4.981 30 40 FJEB Cc1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2CC(C)C)cc1 408914485 OAJMDPLFVDZUMU-FOLIBTTPSA-N 366.486 4.961 30 40 FJEB Cn1c([C@@H](C#N)C(=O)c2sc3ccccc3c2Cl)nc2ccccc21 1235408 NWOAKOHSNMYZJJ-LBPRGKRZSA-N 365.845 4.931 30 40 FJEB aggregator CCOC(=O)c1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1 1236099 FLCZLHLEGSOSMG-LFVJCYFKSA-N 369.424 4.929 30 40 FJEB COc1cc(C#N)ccc1Oc1nc(-c2ccccc2)c2ccccc2n1 12853896 WKMSAXOEXDMLLR-UHFFFAOYSA-N 353.381 4.969 30 40 FJEB Cc1ccc(/N=C2\S/C(=N\S(=O)(=O)c3ccc(C)cc3)C2(C)C)cc1 13402016 ZRBPHKJZHZZVKT-HIOQQWDOSA-N 372.515 4.894 30 40 FJEB C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CCc2ccccc21 593407391 UFCWVGAMMLWWKL-GCJKJVERSA-N 361.489 4.793 30 40 FJEB N#Cc1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CCCC2 1773652 UHRYXCPNQOFNNH-UHFFFAOYSA-N 374.893 4.950 30 40 FJEB CCOc1c(Br)cc(/C=C2\Cc3ccccc3C2=O)cc1OC 3517163 NKAZCGPOIPGDAG-RIYZIHGNSA-N 373.246 4.679 30 40 FJEB O=C(/C=C/c1ccc2ccccc2n1)c1cc(Br)ccc1O 4733652 MBKBAUMSSHUEGN-CSKARUKUSA-N 354.203 4.599 30 40 FJEB Cc1[nH]c2ccccc2c1/C=N/Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 5258702 GPEAWZIUTHJSKC-ZVBGSRNCSA-N 362.311 4.849 30 40 FJEB C=CCOc1ccccc1/C=C1\SC(Nc2ccccc2CC)=NC1=O 6871095 JDRPUVHTIVOMJH-RGEXLXHISA-N 364.470 4.896 30 40 FJEB COc1cc(C2SCCS2)ccc1OCc1ccc(C#N)cc1F 10904148 VDFPKVRXDOXHTD-UHFFFAOYSA-N 361.463 4.764 30 40 FJEB COc1cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1O 12804932 CYHBUIWGLPQZBJ-HWKANZROSA-N 358.777 4.705 30 40 FJEB C/C(=N\Nc1cc([N+](=O)[O-])ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 13304776 JEKNLKVZCYWVKF-YBFXNURJSA-N 358.398 4.507 30 40 FJEB CCCOc1cccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 20797238 NMVLMAWALBDUJZ-OAQYLSRUSA-N 361.445 4.703 30 40 FJEB CCN(C(=O)Cc1csc(-c2ccc(C)cc2)n1)c1ccc(C#N)cc1 174076749 JXVBEYSWBJYBJF-UHFFFAOYSA-N 361.470 4.586 30 40 FJEB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@@H](C)C1 225854820 UDOLYPKJVXFNHL-VGSWGCGISA-N 372.509 4.907 30 40 FJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 2186256 RINRMWNNDGVGPD-UHFFFAOYSA-N 354.500 4.522 30 40 FJEB CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccc(C#N)cc1)N2 4623713 OILWODRAFQCEER-JCMXLGDNSA-N 357.457 4.813 30 40 FJEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 4975295 LIMWSXPCXFEXQL-KEBDBYFISA-N 373.865 4.927 30 40 FJEB C=CCOc1ccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8497313 FEMZHLWIEYRZRK-KTIUQTLCSA-N 355.522 4.955 30 40 FJEB Oc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br 9195064 DTNURQCEGBNRCH-CNHKJKLMSA-N 374.065 4.585 30 40 FJEB CCOc1ccc(Br)cc1/C=N/NCc1ccc(Cl)cc1 10119014 GYCKYPLPBWUEBE-RGVLZGJSSA-N 367.674 4.625 30 40 FJEB C[C@H](Oc1ccccc1F)c1nnc(SCc2cccc(C#N)c2)o1 22521892 RSMMBBNMPBOJNN-LBPRGKRZSA-N 355.394 4.513 30 40 FJEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 408882045 MWXLUSSTZDYLOJ-BOPFTXTBSA-N 371.893 4.606 30 40 FJEB C#CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1OC 409114375 HHMZNVYUMPIWMX-UHFFFAOYSA-N 350.245 4.935 30 40 FJEB CC[C@H](C)c1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409242557 OOLDWDOAMAYTKV-FOCYVMGBSA-N 355.434 4.811 30 40 FJEB O=C(/C=C/c1cc(Cl)cc2c1COCO2)c1ccc2ccccc2c1O 4771245 QDQIQBCUELSSSX-SOFGYWHQSA-N 366.800 4.961 30 40 FJEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(O)cc1 110701056 MGJOJBLBCWZTAI-VGOFMYFVSA-N 365.241 4.591 30 40 FJEB COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2ccc(Cl)cc2)c1 408854293 BTSZLMSQIVOJOW-LPYMAVHISA-N 352.821 4.976 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 409074042 XMHBMMZKRQAQGQ-XDHOZWIPSA-N 366.486 4.933 30 40 FJEB CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H](C)C#N 5312864 ODWCXTBCCBFJGK-LBPRGKRZSA-N 364.902 4.876 30 40 FJEB N#Cc1ccc(F)c(CSc2nnc(-c3cccs3)n2C2CC2)c1 11541013 VXUYFRDHLWJOQP-UHFFFAOYSA-N 356.451 4.645 30 40 FJEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 12751268 ZBYUVBKJSUBVMH-KRWDZBQOSA-N 372.424 4.543 30 40 FJEB Cc1cc(NC(=O)CCCCOc2cccc(C#N)c2)c2ncccc2c1 95454161 UQQMRSZAXMZDKE-UHFFFAOYSA-N 359.429 4.603 30 40 FJEB CC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 408857582 OJTWIYWSSHHIKT-WSDLNYQXSA-N 362.385 4.662 30 40 FJEB N#Cc1nc([C@@H]2C[C@@H]2c2cccc(F)c2)oc1NCCc1cccs1 1775976184 PFSKKUKUARRKAD-HZPDHXFCSA-N 353.422 4.673 30 40 FJEB O=C(Nc1ccccc1)O/N=C/c1c(-c2ccccc2)nc2sccn12 1384879 WYQDIFZPLWFHMA-DEDYPNTBSA-N 362.414 4.645 30 40 FJEB C=CC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccc(NC(C)=O)cc1 1466443 WSLHFAQQHMYLCE-UHFFFAOYSA-O 364.494 4.899 30 40 FJEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 5164640 XQIUNJPVBZZSAQ-UNOMPAQXSA-N 362.406 4.892 30 40 FJEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5966401 IEVCYEFVCBOPOY-WQRHYEAKSA-N 371.820 4.797 30 40 FJEB C/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(C)c([N+](=O)[O-])c1 8084303 AARLRHABMNSIAY-ZVBGSRNCSA-N 372.734 4.807 30 40 FJEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20482659 WXGDGCULXCPQMG-SFHVURJKSA-N 364.489 4.736 30 40 FJEB C=CCSc1ccccc1NC(=O)Cc1c(C)nn(CC(C)C)c1C 39995559 GHFAYQZNSDOKAD-UHFFFAOYSA-N 357.523 4.615 30 40 FJEB Oc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c(O)c1 408718401 LZHMRNZFMRIUIG-LPYMAVHISA-N 357.369 4.565 30 40 FJEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 408961486 MPJVCMGDULLFQO-SSDVNMTOSA-N 363.369 4.710 30 40 FJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 1786900 AJXYYZFRUNKQMB-CYBMUJFWSA-N 368.527 4.850 30 40 FJEB C=CCOc1cccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)c1 2080997 UDMJDIWNTPXYAD-QNGOZBTKSA-N 355.393 4.749 30 40 FJEB O=C(c1cccc(OC(F)F)c1)N1CCCS/C1=N\c1ccccc1 3483729 LJGGVGTXZMMQGZ-UZYVYHOESA-N 362.401 4.555 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3Cl)n2)cc1 4079558 LFJOHDWVPJRREV-MDZDMXLPSA-N 365.845 4.987 30 40 FJEB Oc1ccc2ccccc2c1/C=N/Nc1ncnc2sc3c(c12)CCCC3 4754286 SFHKAINNARPGCX-BHGWPJFGSA-N 374.469 4.875 30 40 FJEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1OC 7742119 PIXDANJBCOZZNF-RIYZIHGNSA-N 373.246 4.679 30 40 FJEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 104647519 WTDIRAZPDUAJEB-RNHZEXENSA-N 350.499 4.829 30 40 FJEB biogenic,in-vitro C=C1[C@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1OC(C)=O 105153749 AQBQBBLJTDSVLC-LQCBQFPBSA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O 208220240 BXBXHRDZBVRVBK-MFVBVHDHSA-N 356.491 4.631 30 40 FJEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(C)c(OC)c3)nc1-2 408722075 CZBUFQMBXRGXKN-WSDLNYQXSA-N 364.470 4.985 30 40 FJEB COc1ccc2cc(C3=C/C(=N/Nc4ccccc4C)C(=O)O3)ccc2c1 408726468 RUEGSZOIWWPVTE-GFMRDNFCSA-N 358.397 4.523 30 40 FJEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c[nH]c2ccccc12 409292004 ZDQPPLRYIPKABZ-UHFFFAOYSA-N 370.456 4.808 30 40 FJEB N#Cc1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCC2 821588 MATLRAQBZJFRSN-UHFFFAOYSA-N 361.264 4.513 30 40 FJEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(C(C)C)cc2)cc1 1252165 SFXNYYXIFLHPKC-NDENLUEZSA-N 352.463 4.622 30 40 FJEB Cc1cccc(C)c1Oc1cc(C#N)c(C#N)cc1-n1nnc2ccccc21 1443154 JMOPZJPFNXBCGV-UHFFFAOYSA-N 365.396 4.573 30 40 FJEB C=CCNc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 1828659 YBHCBINAIDUXGU-UHFFFAOYSA-N 368.506 4.641 30 40 FJEB C=CCNC(=O)Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1 3047530 UZVXHPQGMBOEQX-UHFFFAOYSA-N 368.889 4.975 30 40 FJEB O=[N+]([O-])c1cc(/N=C/c2cccc(O)c2)ccc1/N=C/c1cccc(O)c1 4099340 GLNXGAVKASUVCQ-ADYPVIEZSA-N 361.357 4.507 30 40 FJEB COc1cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1O 4921808 RHNLFYKCPOXZFN-ODCIPOBUSA-N 374.746 4.528 30 40 FJEB CO/N=C(/CSc1ccc(Br)cc1)c1ccc(OC)cc1 5526818 LRQIEPGQRCVWIM-VLGSPTGOSA-N 366.280 4.601 30 40 FJEB O=C(O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 6551878 TUQVBCPZQVYRID-OVCLIPMQSA-N 358.393 4.713 30 40 FJEB CC(=C/c1ccccc1)/C=N/N1CCN(Cc2ccccc2Cl)CC1 12378719 KWVXTUBVGIUVEN-SSBHQHRVSA-N 353.897 4.547 30 40 FJEB CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(SC)cc1 12604521 ZNNMXVWIQMPKGV-TWMYKCPNSA-N 371.506 4.880 30 40 FJEB O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccccc1 13629761 CICJIQZGUMEMKH-UUYOSTAYSA-N 374.367 4.704 30 40 FJEB CC1CCN(c2ccccc2/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)CC1 67321401 XQDYQSUCVIRHBO-CIAFOILYSA-N 373.840 4.941 30 40 FJEB CCCCCCCC/C=C\CCCCCC(=O)OCCC[C@@H](O)CO 100503506 LKEJFIOAQPYKFQ-GDCKJWNLSA-N 356.547 4.920 30 40 FJEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c1 214610006 XYYIAHMRASWPCU-CPNJWEJPSA-N 365.454 4.796 30 40 FJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/Nc3ccccc3)c2C)c1 408968585 XPNKSRDOCBSMLB-HZHRSRAPSA-N 361.445 4.717 30 40 FJEB O=S(=O)(Oc1ccc(Cl)cc1/C=N/c1ccccc1)c1ccccc1 409200962 KRCRSGZESJICAX-KGENOOAVSA-N 371.845 4.858 30 40 FJEB CCCn1c(/N=C/c2cc(Br)ccc2O)nc2ccccc21 4663368 WXZXGMZQGQADMO-YBFXNURJSA-N 358.239 4.665 30 40 FJEB Cc1ccc(C)c(OCCn2cc(C#N)c3cc(Br)ccc32)c1 59109381 XHBZZXUZNXYVBM-UHFFFAOYSA-N 369.262 4.971 30 40 FJEB Cc1ccc(/C=N\c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 104094059 ZWPLIIXBQOIWBT-JCMHNJIXSA-N 364.470 4.855 30 40 FJEB CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C#N 225852718 VUBYLOFFCNMPPR-UHFFFAOYSA-N 358.482 4.805 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1F 1515829 BYQINXQKKHUEAP-UHFFFAOYSA-N 367.464 4.799 30 40 FJEB COC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCC2 4739348 IABGKWZHCDZRNJ-FBCYGCLPSA-N 370.257 4.786 30 40 FJEB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(CC#N)cc1 8125776 GDALVWJNEHFLGH-UHFFFAOYSA-N 369.783 4.761 30 40 FJEB Cc1ccsc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2cc3c(cc21)OCO3 18197418 NCIRQNDPBLNCIQ-GOSISDBHSA-N 367.470 4.986 30 40 FJEB CCOc1ccccc1NC(=O)CO/N=C(\C)c1oc2ccccc2c1C 32927143 LQACBIRKYZZIDB-HZHRSRAPSA-N 366.417 4.519 30 40 FJEB Cc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1C 35289745 HKTIJMZJYXQFKV-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB COC(=O)c1cccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)c1 58871715 DERDWSISYZZBHQ-ZVHZXABRSA-N 356.425 4.744 30 40 FJEB O=[N+]([O-])c1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461367 DEAVLNIPSOYFSN-JURCDDRXSA-N 367.386 4.785 30 40 FJEB CCCc1cc(/C(Cc2cscn2)=N/Nc2ccccc2)c(O)cc1O 95950916 MHUVHTNEIANQNG-PTGBLXJZSA-N 367.474 4.566 30 40 FJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1ccc(CC)cc1 97104907 WAUKJXJEZPVOOD-UNMCSNQZSA-N 366.432 4.707 30 40 FJEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(F)cc1Cl 216826194 MOUAPCKSMDFALY-ZBKNUEDVSA-N 358.196 4.918 30 40 FJEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(Cl)cc1Cl 408583685 WMXSKTNMPNPXPN-UHFFFAOYSA-N 365.216 4.525 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(Cl)c1Cl 409033796 LUZLPWJOENMQOT-LRNAUUFOSA-N 357.056 4.707 30 40 FJEB CCOC(=O)c1sc2c(c1C)[C@H](c1cccs1)C1=C(CCCC1=O)N2 6498464 NCNQERAVTUEKHJ-INIZCTEOSA-N 373.499 4.859 30 40 FJEB C=CCOc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1 409352104 WDGXCQJSAYSEND-BOPFTXTBSA-N 371.458 4.796 30 40 FJEB O=C1CC(c2ccco2)CC(=O)C1=CNc1cc(Cl)cc(Cl)c1 2281662 XRNGWOHPCLAUBW-UHFFFAOYSA-N 350.201 4.598 30 40 FJEB Cn1c(N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)nc2ccccc21 7343351 MSHVJUSRVQJBMS-CIAFOILYSA-N 350.809 4.933 30 40 FJEB COc1ccc(OC)c(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)c1 20291473 KBNPZTIHRDZEKR-UHFFFAOYSA-N 365.820 4.540 30 40 FJEB N#CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1 44087334 ZVBISJBCKLOWTR-UHFFFAOYSA-N 370.821 4.717 30 40 FJEB CCCCCCCCCCCCCCCCCC(=O)NC[C@H](O)CO 44117934 ILMOLWSTFFMGGB-FQEVSTJZSA-N 357.579 4.717 30 40 FJEB in-vitro CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cc(C)cc(C)c32)cc1 46084915 HQYHOHAYQDGZDX-ATJXCDBQSA-N 366.461 4.598 30 40 FJEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCCOC[C@H](O)CO 104049789 CIIHZROFUPCXTE-QHAWAJNXSA-N 358.563 4.605 30 40 FJEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1 409082894 UCHRPZBPOADIBN-NVNXTCNLSA-N 362.212 4.889 30 40 FJEB C#CCOc1c(Br)cc(CNc2ccccc2CC)cc1OC 409111138 BUPLZJYWECIONP-UHFFFAOYSA-N 374.278 4.644 30 40 FJEB Ic1ccccc1/N=C/c1ccc2ccccc2n1 632330 AJJZOXBGSRBXSV-WOJGMQOQSA-N 358.182 4.590 30 40 FJEB CCOc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 5127978 DNIOSALGVNAIDB-VQHVLOKHSA-N 361.235 4.753 30 40 FJEB N#Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c1 32845887 XDKJJUBFVAPNQM-QFIPXVFZSA-N 352.393 4.824 30 40 FJEB C#CCOc1ccc(Br)cc1CNc1ccc(Cl)cc1 33657926 GMFBGJLFSMNLBI-UHFFFAOYSA-N 350.643 4.727 30 40 FJEB CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@@H](C)C1 225832620 FAJAIBHLIWGGNX-IIBYNOLFSA-N 358.482 4.517 30 40 FJEB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c(C#N)c1 225833137 RAGUOKGYJPPTLW-KKSFZXQISA-N 358.482 4.661 30 40 FJEB CCS[C@H](C)C[C@@H]1CC(=O)C(C(CC)=NOC/C=C\Cl)=C(O)C1 254289946 SILSDTWXNBZOGF-LDWBTFJVSA-N 359.919 4.844 30 40 FJEB N#Cc1ccccc1CO/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 408597147 XILGFHFMZFBFJF-WSDLNYQXSA-N 374.425 4.729 30 40 FJEB CCn1cc(/C=C2/Oc3c(ccc(OC)c3C)C2=O)c2cc(OC)ccc21 8764946 FTUDZYMGEWQYEO-KEBDBYFISA-N 363.413 4.603 30 40 FJEB biogenic N#Cc1ccc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)cc1 20303945 OWIAYMGCOQZORL-UHFFFAOYSA-N 370.033 4.880 30 40 FJEB CCc1nnc(S)n1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 39009206 WNRJZYGZYSQFDI-QGMBQPNBSA-N 367.261 4.578 30 40 FJEB O=C(Oc1cccc(/C=N/Nc2nc3ccccc3s2)c1)c1ccco1 59502959 WKZNPQDFCSBWTA-UDWIEESQSA-N 363.398 4.555 30 40 FJEB C(=NN1CCN(c2ccccn2)CC1)c1c2ccccc2cc2ccccc12 254817070 PUAUSEBFNSFDCJ-UHFFFAOYSA-N 366.468 4.544 30 40 FJEB CCOc1ccccc1/C=N/c1ccc(C)c(I)c1 1087222 GQVMVGRVVVGIPZ-WOJGMQOQSA-N 365.214 4.749 30 40 FJEB CCCCCC(=O)Nc1sc2c(c1C#N)c1ccccc1n2C(C)=O 1874268 RWYYOPCAOPZLRH-UHFFFAOYSA-N 353.447 4.907 30 40 FJEB N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCCC2)c1 8163271 BUOBKDBUGXRLOC-UHFFFAOYSA-N 353.853 4.844 30 40 FJEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCCC3)c2C#N)C1 8471136 YHPZJSAIPLNRGD-OAHLLOKOSA-N 373.566 4.585 30 40 FJEB CCc1cccc2c(C3=NN(C)/C(=N\Cc4ccccc4)SC3)c[nH]c12 102415650 ICEPDHZEHKECFR-XTQSDGFTSA-N 362.502 4.669 30 40 FJEB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCCCCC1 225830843 IPSGWXRWVYRXSF-MRXNPFEDSA-N 358.482 4.804 30 40 FJEB C[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2cccc3ccccc23)C1 225868226 LWQVCJGDANXCEY-IRXDYDNUSA-N 358.489 4.626 30 40 FJEB C#CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)cc1 408691670 KYRRRXWZCWGTLU-CSKARUKUSA-N 355.231 4.666 30 40 FJEB O=C(c1cccc(F)c1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242999 RNLRAMJTRBNRTE-UHFFFAOYSA-N 360.122 4.616 30 40 FJEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)SC1=S 1236493 XZFJMXRXLFZWJL-LDADJPATSA-N 368.527 4.790 30 40 FJEB O=C(Nc1ccccc1)c1ccc(NN=C2CCCCC2)c([N+](=O)[O-])c1 4524340 ACVZDGHLKPYLBX-UHFFFAOYSA-N 352.394 4.579 30 40 FJEB O=[N+]([O-])c1cc(F)ccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118805 FREYDJPJPBCKHI-SSDVNMTOSA-N 373.771 4.771 30 40 FJEB Cc1cc(F)cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 101473762 SKPLFHRSICFENV-UHFFFAOYSA-N 356.159 4.785 30 40 FJEB CCOC(=O)c1cccc(/N=C\c2cc(F)c(N3CCCC3)cc2C)c1 108158139 QSWAVZMMOHGNSH-UCQKPKSFSA-N 354.425 4.662 30 40 FJEB COC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccccc2)c1C 408617658 AWXWYNXGZMWXJM-BUHFOSPRSA-N 359.425 4.777 30 40 FJEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408708447 IBPNVTMNBQVRGQ-UHFFFAOYSA-N 362.514 4.527 30 40 FJEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408738337 VIRTYGUCNZTVNJ-YDZHTSKRSA-N 350.393 4.770 30 40 FJEB COc1ccc2c(c1)Cc1sc(/N=C\c3cc([N+](=O)[O-])ccc3C)nc1-2 409050319 ULARWGGGGWSODB-JMIUGGIZSA-N 365.414 4.690 30 40 FJEB O=C(O)c1ccc(C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)F)c1 642887059 IKTQIFCBVJYGHE-UHFFFAOYSA-N 358.131 4.693 30 40 FJEB Cc1ccccc1[C@H]1CC(=O)N(c2ccc(F)cc2F)C2=C1C(=O)CCC2 1080114 XMUGPBGLAYTBAY-MRXNPFEDSA-N 367.395 4.801 30 40 FJEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1ccccc1 4578340 UNWHPJZBMNHCLG-HYARGMPZSA-N 373.437 4.962 30 40 FJEB O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 4946175 LFBAQAZMHWRBDK-IBGZPJMESA-N 361.357 4.672 30 40 FJEB O=[N+]([O-])c1ccccc1N/N=C/c1sc(Nc2ccccc2)nc1Cl 6257968 UTDOQFGYWMWUHJ-VCHYOVAHSA-N 373.825 4.894 30 40 FJEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1 8371999 FKIGYIPCABKGLZ-RCCKNPSSSA-N 351.427 4.513 30 40 FJEB CCCCc1nc(NCCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 13510097 SMXKOMOJAIMMOS-UHFFFAOYSA-N 363.505 4.802 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(F)c1 100634029 YKOYSCVOTKKGNJ-IBGZPJMESA-N 373.427 4.763 30 40 FJEB CC[C@H](C)OC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795804 RIFWRTXGEWCLSR-LURJTMIESA-N 364.204 4.796 30 40 FJEB O=C(O)c1ccc(Cn2cc(/C=N/c3cccc(F)c3)c3ccccc32)o1 408541189 FFEDSIPXPOUDHS-FOKLQQMPSA-N 362.360 4.871 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1Cl 408738948 QKPFVSSOUFSZTP-YVLHZVERSA-N 371.893 4.606 30 40 FJEB CC1=NOC(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 408938631 LHRRBLYWTOWNRW-XDHOZWIPSA-N 361.372 4.874 30 40 FJEB Nc1ccc(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 1083811809 RIPLPZRLQJEHSK-UHFFFAOYSA-N 355.200 4.711 30 40 FJEB Cc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2c1 1222312 MKJZWKBXVVSJHK-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB C=C(Br)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21 1452857 CSWGUOONTWKSNP-UHFFFAOYSA-N 357.251 4.544 30 40 FJEB O=C1CCCC2=C1C(c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)O2 5673265 UXFRFFOSIKKMFQ-UHFFFAOYSA-N 362.347 4.833 30 40 FJEB CCOC(=O)c1ccc(/N=C2\NC3(CCCCC3)Cc3ccccc32)cc1 18207070 WFXVFKHVWSBMSH-UHFFFAOYSA-N 362.473 4.790 30 40 FJEB CN(C/C(O)=N/C1(C#N)CCCCCC1)Cc1ccc(C(F)(F)F)cc1 22842833 RYUPSZLJFXLZCP-UHFFFAOYSA-N 367.415 4.710 30 40 FJEB C/C(=N\OCc1csc(C(C)C)n1)c1nc2ccccc2n1C(F)F 221825521 YWHATHKGAFFLKW-SSDVNMTOSA-N 364.421 4.952 30 40 FJEB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@H](C)C1 225854684 VVAYQOFUCQTFNY-KKSFZXQISA-N 358.482 4.659 30 40 FJEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccccc2Cl)S1 408856978 IVINIMGIVKISOK-YBEGLDIGSA-N 358.850 4.549 30 40 FJEB Cn1cccc1/C=C1\S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O 409097982 JSHJYOUZBOZHPK-HGRLKPHYSA-N 371.550 4.963 30 40 FJEB COc1cc(OC)c(OC)cc1/C=N/N=C(c1ccccc1)c1ccccc1 3265453 RICYIEOYQTVADP-LFVJCYFKSA-N 374.440 4.584 30 40 FJEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)cc1OC 19561494 HAZIFIXNCLUUHV-UHFFFAOYSA-N 365.820 4.540 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C(/Cc2nc3ccccc3[nH]2)c2ccccc2)cc1 33860733 KGDRFCKKTNGZEM-QQTULTPQSA-N 371.400 4.530 30 40 FJEB CCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](N)C(=O)O 70665761 YLXUHVDLNAGDGE-UXHICEINSA-N 363.498 4.604 30 40 FJEB biogenic CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1F 105453572 MROZGSZTOOBNFL-UHFFFAOYSA-N 350.478 4.801 30 40 FJEB C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CCc2ccccc21 593407393 UFCWVGAMMLWWKL-XMSQKQJNSA-N 361.489 4.793 30 40 FJEB C=CCn1c([C@H]2CC(=O)N(c3ccc(Cl)c(C)c3)C2)nc2ccccc21 5235907 BIYJZFDYHVJYCM-HNNXBMFYSA-N 365.864 4.705 30 40 FJEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(F)cc1 5376999 AFHCHAYUDNNZPQ-AUWJEWJLSA-N 350.777 4.510 30 40 FJEB C=CCSc1nnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)s1 6589541 FSTJUOVSWCKDIE-ZDUSSCGKSA-N 367.927 4.848 30 40 FJEB C=CCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 18185388 HQVAHKKIRIGBBB-UHFFFAOYSA-N 365.351 4.703 30 40 FJEB C=CCOc1ccc(/C=C2/SC(=O)N(c3ccc(OC)cc3)C2=O)cc1 27229255 VNBYVVXXVIDTJA-QGOAFFKASA-N 367.426 4.501 30 40 FJEB CC(C)(C)[C@@H]1CCc2c(sc(N=C3C(=O)Nc4ccccc43)c2C#N)C1 409210059 HWXDODRSWKMZDS-GFCCVEGCSA-N 363.486 4.844 30 40 FJEB CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1ccc([N+](=O)[O-])o1 3110694 SKYBWCHPNXRFCR-VXLYETTFSA-N 370.386 4.844 30 40 FJEB C=CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N 3637021 SWPBGCBVYRILMQ-UHFFFAOYSA-N 350.365 4.926 30 40 FJEB C=CCOc1cccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c1 6507311 VWJBPMSLHCYFSE-RVDMUPIBSA-N 351.427 4.876 30 40 FJEB C=C(C)[C@H](O)CC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12 15120613 DBHLROWQWPSCQG-LEHPZIBWSA-N 354.402 4.582 30 40 FJEB endogenous,in-man O=C(/C(=N\Nc1ccccc1)C(=S)Nc1ccccc1)c1ccccc1 18211543 YTHWCAALYYVHDG-LYBHJNIJSA-N 359.454 4.777 30 40 FJEB CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CCC(=O)N1 97949441 XLAGMMKLUVKKMA-IBGZPJMESA-N 352.563 4.863 30 40 FJEB O/N=C1/CCCCCCCCCC[C@@H]1Sc1nnnn1-c1ccccc1 100965009 ABMJTRYZFJGKRL-HGBKYHTQSA-N 373.526 4.868 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc2c1 786963 DYFHNEOJIGOWQL-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB CC1(C)CC(=C2C(=O)c3ccccc3C2=O)C=C2c3ccccc3C(=O)[C@H]21 3214419 BPLSYFNHQPSVIQ-FQEVSTJZSA-N 354.405 4.688 30 40 FJEB Cc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 4598252 JURURZRRXLJDSV-SOFGYWHQSA-N 369.214 4.760 30 40 FJEB CCOc1cc(/C=C/C(=O)c2cccs2)cc(Br)c1OC 7740063 HSDQULKSYCWHRY-VOTSOKGWSA-N 367.264 4.814 30 40 FJEB N#Cc1c(-c2ccccc2)nn2c(C(F)(F)F)cc(-c3ccccc3)nc12 9553906 DYYQWBUNPKSHAV-UHFFFAOYSA-N 364.330 4.954 30 40 FJEB CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1cc(C)ccc1C 12622036 MFXLWGVUFJPMQF-LDYSMASRSA-N 353.466 4.775 30 40 FJEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3c(C)ccc(C)c32)cc1 46085260 YVTZNKNLIKAZSU-ATJXCDBQSA-N 366.461 4.598 30 40 FJEB Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427141 UTIMONRJEWLMEG-HYARGMPZSA-N 362.433 4.819 30 40 FJEB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@@H](C)C1 225855178 PISWEQCHYDRZAG-IIBYNOLFSA-N 358.482 4.659 30 40 FJEB C/N=C(/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCCCC1 3082342 OLPINZCSMGTVQU-VZCXRCSSSA-N 373.840 4.903 30 40 FJEB N#Cc1ccc(COC(=O)c2c(-n3cccc3)sc3c2CCCC3)cc1 5938678 NHLGGUGFEHDNQX-UHFFFAOYSA-N 362.454 4.646 30 40 FJEB CC(=O)c1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1 6357098 DEMPKKYRFLIZPD-QGMBQPNBSA-N 352.615 4.761 30 40 FJEB Oc1ccc(Br)cc1/C=N/c1ccc(Br)cc1 18276247 WBJGMDBPWOVGSW-LZYBPNLTSA-N 355.029 4.668 30 40 FJEB biogenic O=C(Nc1cccc(C#Cc2cccs2)c1)c1cncn1-c1ccccc1 32907510 LDLVXWCQMYOBJK-UHFFFAOYSA-N 369.449 4.586 30 40 FJEB Cc1ccc(-c2ccc(C#N)s2)cc1NCC(=O)N1CCc2ccccc21 69455261 TWTLHVRDFOUAOH-UHFFFAOYSA-N 373.481 4.596 30 40 FJEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224927021 WNCJNYHWJKZACT-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB CCn1c(N/N=C/c2ccc(-c3ccccc3C#N)o2)nc2ccccc21 408692416 MANHLCBGQMFYGS-OEAKJJBVSA-N 355.401 4.634 30 40 FJEB CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3C#N)ccc21 3287492 WEEBGXWROOQAEZ-UHFFFAOYSA-N 369.424 4.704 30 40 FJEB CC[C@H](C)Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1OC 15008665 RIDXCKRHXDWFRT-DZUMZMOTSA-N 355.463 4.928 30 40 FJEB CCCCN1C(=O)/C(=C\c2ccccc2O)S/C1=N/c1ccccc1 100298343 VKNYDWQZQHOCNQ-SXFBWKAHSA-N 352.459 4.796 30 40 FJEB CS/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 100930596 CHSMWUWYIQDWRI-ROUMAOROSA-N 365.289 4.670 30 40 FJEB Cc1cc(C(F)(F)F)nc(SCC(=O)c2ccc(Cl)cc2)c1C#N 1028701 JNHAEBOTLMBBFY-UHFFFAOYSA-N 370.783 4.909 30 40 FJEB Cc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)s1 1473645 JLULVTDEPOTHNP-IDUWFGFVSA-N 369.302 4.793 30 40 FJEB Cc1ccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)cc1C 3344905 XIFBSZGKZZDWBM-UHFFFAOYSA-N 356.425 4.692 30 40 FJEB C=CCn1c([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4033567 YROLHRMVYLRKSG-OAHLLOKOSA-N 365.864 4.705 30 40 FJEB CCc1ccc(-c2csc(N/N=C/c3ccc(N(C)C)cc3)n2)cc1 4957143 JHPPOVDPSCJRRS-FYJGNVAPSA-N 350.491 4.885 30 40 FJEB C=CCN(C(=O)c1ccncc1)c1nc(-c2ccc(Cl)cc2)cs1 8941607 SVHNBIBTZKLJAQ-UHFFFAOYSA-N 355.850 4.691 30 40 FJEB Cc1ccc(/C=[N+](\[O-])[C@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1 13756159 ADVKQSULBPRXGV-IZQLPPHKSA-N 356.516 4.567 30 40 FJEB C/C(=C1/C(=O)C[C@H]2[C@@H]1C2(C)C)N(Cc1ccccc1)C(=O)c1ccccc1 16036015 XXGFUSUNUFURBD-LQQGQKLFSA-N 359.469 4.848 30 40 FJEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(O)cc1 33323576 RJSRAXNTPSBJMT-MDWZMJQESA-N 365.241 4.591 30 40 FJEB CCOC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 799903 YZQAGQSBRXWVTD-DQAKUKQTSA-N 372.446 4.708 30 40 FJEB COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)[C@H](c3ccccc3)[C@@H]1CC2 13124079 TUABOXZEXOEAHC-SJAFXVJJSA-N 360.457 4.511 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OC)cc1 105451091 XKISKGKQUZQSMK-UHFFFAOYSA-N 362.514 4.671 30 40 FJEB Cc1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2C(C)C)cc1 408912064 KSHNDDRDZQMZRX-KDWIEBRMSA-N 352.459 4.713 30 40 FJEB Cc1ccc(C[C@H](C#N)Sc2nnc(C3CC3)n2Cc2ccccc2)cc1 7427845 VIBBWSOULFVGLS-HXUWFJFHSA-N 374.513 4.739 30 40 FJEB CC[C@@H]1S/C(=N\N=C(\C)c2ccccc2)N(c2ccc(C)cc2)C1=O 13532416 KMSWGRSAOVGMGM-NOIXSUOJSA-N 351.475 4.634 30 40 FJEB O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCCCC1 20503849 MKMJEDFITPROFM-MPWPSHSKSA-N 361.441 4.551 30 40 FJEB O=C(/C=C\c1ccccc1O)c1cccc(C(=O)/C=C\c2ccccc2O)c1 33368216 FRFLRNQXMSSLLA-DZDAAMPGSA-N 370.404 4.890 30 40 FJEB COc1ccc2nc(N/N=C/c3ccc(Br)cc3)sc2c1 67320703 DIYIYURIGJBXIY-RQZCQDPDSA-N 362.252 4.513 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)COc1cccc(Br)c1 72265783 HUWYPKKNQIVADP-UHFFFAOYSA-N 355.047 4.661 30 40 FJEB COc1ccccc1/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 145604044 QPEXBRVLEZURSV-OEAKJJBVSA-N 361.397 4.723 30 40 FJEB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21 409155173 CJTYKLYMZPGBOD-XQBPLPMBSA-N 374.440 4.511 30 40 FJEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)c(C(=O)O)c1 409234973 BNUUEWTZSMFAAL-XKZIYDEJSA-N 372.852 4.788 30 40 FJEB CC(C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083806291 DURUSCCXLMVSTA-UHFFFAOYSA-N 356.175 4.905 30 40 FJEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 726600 HFOTUSIFRRYRLZ-FQEVSTJZSA-N 367.489 4.551 30 40 FJEB C[C@H]1CCc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c(C#N)c2C1 4070077 JNZHZVMDYKHQTE-PXRHCINRSA-N 354.519 4.899 30 40 FJEB CC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 4898699 QZOYHFUJRYHEAO-AANLGRHESA-N 371.893 4.584 30 40 FJEB C=C[C@H](C/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 5080642 PBVVVCSDMBFICK-NFECSFHCSA-N 354.366 4.651 30 40 FJEB CCCCC1CCC(c2nc(C#N)c(NCCN3CCCCC3)o2)CC1 8867559 VOFJWVMYZYKEPC-UHFFFAOYSA-N 358.530 4.908 30 40 FJEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O 12469783 HQCQBCUUOKQJFW-BIXZQSIESA-N 352.459 4.628 30 40 FJEB Cc1nc2scc(C)n2c1/C=C1\SC(O)=N\C1=N/c1ccc(F)cc1 72401663 DUILZIAZLYCYSE-AUWJEWJLSA-N 372.450 4.884 30 40 FJEB O=C1Nc2c(cccc2C(F)(F)F)/C1=N/Nc1ccc(Cl)cc1Cl 223741754 YBFUJVMRDOMGQH-UHFFFAOYSA-N 374.149 4.781 30 40 FJEB O=C1CSC(=S)N1/N=C/c1c2ccccc2c(Cl)c2ccccc12 3280290 UIQFQHOOYWACPA-AWQFTUOYSA-N 370.886 4.841 30 40 FJEB CCCCOc1ccc(C(=O)O/N=C(/c2ccccc2)c2ccncc2)cc1 4520514 XXZADINKNZPHNZ-LVWGJNHUSA-N 374.440 4.870 30 40 FJEB COc1ccc(C)cc1NC(=O)[C@H](Oc1ccccc1C#N)c1ccccc1 4958994 CYDZPECOYGBIOU-JOCHJYFZSA-N 372.424 4.634 30 40 FJEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1cccc(F)c1 5376974 OVIHEEUHICTKJK-AUWJEWJLSA-N 350.777 4.510 30 40 FJEB C#CCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1Br 6962459 IKZGNLJEWANIFL-DEDYPNTBSA-N 358.235 4.610 30 40 FJEB CCCCOc1ccc(/C=N/NC(=S)Nc2cccc(C)c2C)cc1 13468834 QVOUJEDLYQIRMH-KGENOOAVSA-N 355.507 4.803 30 40 FJEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cccc4ccccc34)C2=O)s1 33760080 MXCLHNRWHGVXEB-IBLJXFIWSA-N 365.483 4.672 30 40 FJEB C#Cc1cccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 40039848 JLFLMUFJNCETNM-UHFFFAOYSA-N 357.409 4.508 30 40 FJEB COc1cccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)c1O 59461333 MSRFKKQYYFGFHH-SOOUNPCTSA-N 368.414 4.591 30 40 FJEB C=CCc1cc(/C=N/c2cc(C(=O)OC)ccc2Cl)cc(OCC)c1O 59678239 YNWKTQDRQLZSNQ-WSDLNYQXSA-N 373.836 4.710 30 40 FJEB N#Cc1ccc(COCC2CCN(Cc3c(F)cccc3Cl)CC2)cc1 77191696 BXPLOYAJEOUSFS-UHFFFAOYSA-N 372.871 4.780 30 40 FJEB Cn1nc(C(F)(F)F)c(C=Nc2cccc(C(F)(F)F)c2)c1Cl 254711399 XBLMUZLJSVOHKB-UHFFFAOYSA-N 355.669 4.862 30 40 FJEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 408536213 YRGZGLJAIHAAEL-PDGQHHTCSA-N 369.417 4.627 30 40 FJEB COc1cc(C)c(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1C(C)C 409093933 BTLQWOJCVWRBMS-NUGSKGIGSA-N 351.372 4.987 30 40 FJEB Cc1ccc(CSc2nncn2/N=C/c2ccc(C(C)C)cc2)cc1 1780637 HCYJNTJIADWQPV-WSDLNYQXSA-N 350.491 4.884 30 40 FJEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 6192665 AVVDGMKPVLAZBT-OLKAJYLJSA-N 358.349 4.515 30 40 FJEB biogenic Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc3c(cc2C#N)CCCC3)c1 95946839 MODFHCHPORDIJG-OAHLLOKOSA-N 365.502 4.568 30 40 FJEB CN1/C(=C\C(=O)c2c(F)c(F)c(F)c(F)c2F)C(C)(C)c2ccccc21 100986482 JLCYZTWKWPKYTJ-WQLSENKSSA-N 367.317 4.876 30 40 FJEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C)cc3)S2)cc1 110700944 QIBUVXXCDBQEHX-XMHGGMMESA-N 365.502 4.733 30 40 FJEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)c1 1015098 RWGCCTDUMGCACU-KDWIEBRMSA-N 352.459 4.546 30 40 FJEB N#Cc1ccc(CSc2ccccc2C(=O)N2CCCCCC2)cc1 14168225 DGSIMXOMGHXPSY-UHFFFAOYSA-N 350.487 4.867 30 40 FJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(OC)cc2OC)cc1 44842950 UPDPITYAZWUBGA-OUKQBFOZSA-N 355.434 4.691 30 40 FJEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(N3CCOCC3)cc2)C1 408563075 IGBLOAQWXCNUJE-GVJQPLCZSA-N 356.510 4.624 30 40 FJEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3C(C)C)cc1 20737309 HVJQCCNUBABGNW-KSSFIOAISA-N 352.434 4.558 30 40 FJEB CN(C)[C@@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)c1ccco1 27562234 OOCHZTUCMKWGRO-IBGZPJMESA-N 372.428 4.674 30 40 FJEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cn2)o1 28234908 YFDKCZWRIIZSKY-UHFFFAOYSA-N 368.820 4.888 30 40 FJEB CO/N=C/C(=C\Nc1ccccc1)c1ncc(C(F)(F)F)cc1Cl 100818843 NQYYKKRGIVBYIF-SEWMAJRASA-N 355.747 4.839 30 40 FJEB O/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226339585 QESFNFVIBYASPS-WSVATBPTSA-N 358.594 4.629 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 409113207 HCECJZBNANMPBO-XDHOZWIPSA-N 366.486 4.933 30 40 FJEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3O)c2)cc1C 409379812 ZSJYOPBSKVOYKB-OYKKKHCWSA-N 374.440 4.777 30 40 FJEB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1F 606422221 AZJGYHAEGFNTAE-LPYMAVHISA-N 353.397 4.665 30 40 FJEB CCCOc1ccccc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 4535179 YYLWOXFIIGBFEO-UHFFFAOYSA-N 365.473 4.519 30 40 FJEB C(=N/Nc1ncnc2sc3c(c12)CCCC3)\c1cccc2cccnc12 5573259 NJHVJLPZSYFEKB-BHGWPJFGSA-N 359.458 4.564 30 40 FJEB CC(C)c1ccc(/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1 5807927 YFHRQTNXQCHASK-KRWDZBQOSA-N 358.894 4.925 30 40 FJEB C=CCOc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)oc1C 12204304 DWGGVLJJPFSHIM-UHFFFAOYSA-N 352.365 4.606 30 40 FJEB C=CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2c(s1)CCCC2 23653627 CYJQPVAPSFSPGW-UHFFFAOYSA-N 356.535 4.757 30 40 FJEB Cc1cc(SCCC(=O)Nc2sccc2C#N)nc2ccccc12 24990360 NGVXDXBHITUGAD-UHFFFAOYSA-N 353.472 4.597 30 40 FJEB C=CCSc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccccc1OC 26333914 BUMFWADCCKHVHH-INIZCTEOSA-N 370.518 4.605 30 40 FJEB Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(Cl)c(C#N)c1 58530943 MDKWTGKZYALZKE-UHFFFAOYSA-N 353.834 4.896 30 40 FJEB Cc1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1C 101472940 VQFNTJRYQWNARP-UHFFFAOYSA-N 352.196 4.954 30 40 FJEB COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CCCC2 782894 GTMUXOWVCKMOAU-UHFFFAOYSA-N 362.454 4.913 30 40 FJEB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 4832284 LDYIKFFCAJXZNA-PKNBQFBNSA-N 364.313 4.659 30 40 FJEB CCc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 5551618 VWCWNUASBUJOBR-SXGWCWSVSA-N 360.841 4.933 30 40 FJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 5866932 ISAJYNFNALXRDS-IBGZPJMESA-N 368.864 4.974 30 40 FJEB N#Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 6216594 JCDQOWORAHUJOY-UHFFFAOYSA-N 359.454 4.813 30 40 FJEB COc1ccc(-c2cc3c4ccccc4oc4nc(N)c(C#N)c(n2)c43)cc1 8492831 LGLITCDYZPVCKJ-UHFFFAOYSA-N 366.380 4.659 30 40 FJEB Brc1ccc(-n2cccc2/C=N/c2ccc3c(c2)OCO3)cc1 15013433 NSQNSLYZMMDEFQ-RGVLZGJSSA-N 369.218 4.719 30 40 FJEB C(=N\N1CCN(c2ccccn2)CC1)\c1c2ccccc2cc2ccccc12 28349836 PUAUSEBFNSFDCJ-ITYLOYPMSA-N 366.468 4.544 30 40 FJEB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@@H](C)C1 225854662 VVAYQOFUCQTFNY-IIBYNOLFSA-N 358.482 4.659 30 40 FJEB N#Cc1cc(N)c(N2CCCCCC2)n1Cc1ccc(Cl)cc1Cl 225872680 AOYWMLVZYLYBOJ-UHFFFAOYSA-N 363.292 4.677 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)c(C)c1 408780241 AAEPXHLJEMFVAE-SXGWCWSVSA-N 358.850 4.554 30 40 FJEB COc1ccc(Cl)cc1N/C=C/C(=O)c1cccc(Br)c1 409051135 AMAFRNPMVGYFNY-BQYQJAHWSA-N 366.642 4.920 30 40 FJEB C=CCn1c(SCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2254705 HIADUDIHPZCXAV-UHFFFAOYSA-N 366.530 4.966 30 40 FJEB COc1ccc(/C=C2\S/C(=N\c3ccc(C)c(Cl)c3)NC2=O)cc1C 4694909 CJOXJIFKCPRLKP-MFOYZWKCSA-N 372.877 4.857 30 40 FJEB N#CCc1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 27015824 IHWAIVHZVXTJEN-UHFFFAOYSA-N 359.863 4.843 30 40 FJEB N#Cc1c(Nc2nc(C3CC3)cc(C(F)(F)F)n2)sc2c1CCCC2 36613414 SYAIKRODGWFSBG-UHFFFAOYSA-N 364.396 4.928 30 40 FJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1ccc(CC)cc1 97104906 WAUKJXJEZPVOOD-IFMALSPDSA-N 366.432 4.707 30 40 FJEB C=CCSc1ccccc1C(=O)NCCCc1ccc(OCC)cc1 219816560 INKUOFPBJALSSZ-UHFFFAOYSA-N 355.503 4.726 30 40 FJEB C=CCOc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 408603114 ATUIMXOXPCLOPB-UHFFFAOYSA-N 363.211 4.534 30 40 FJEB C#CCOc1ccc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1Cl 409216380 KNWMEXLYCBLEFK-VBKFSLOCSA-N 363.866 4.579 30 40 FJEB O=C(c1ccccc1OC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575358975 JUXDIDGEUBDKFA-UHFFFAOYSA-N 358.131 4.601 30 40 FJEB COc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccccc2)NC1=O 4680289 JWNWKUOXSQLIFQ-UYRXBGFRSA-N 360.438 4.740 30 40 FJEB CCOC(=O)C(C)(C)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 5828449 SQBRVDDXUNNYPO-VGOFMYFVSA-N 372.848 4.957 30 40 FJEB Cn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F 6072234 MXCIGSYOLDBUKU-UHFFFAOYSA-N 363.564 4.998 30 40 FJEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 8113561 BRZLJQRBAICIKT-HYARGMPZSA-N 362.385 4.933 30 40 FJEB CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 20468459 JBXDLGXGJVELNP-JOCHJYFZSA-N 364.445 4.833 30 40 FJEB CC(C)N1OC(=O)[C@](C#N)(C(C)(C)C)C12c1ccccc1-c1ccccc12 38337776 NFBNQDQRFQRGIF-JOCHJYFZSA-N 360.457 4.649 30 40 FJEB CCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC[C@@H](C)C1 225833208 YCOZRJIXAJZZCC-ZOCZFRKYSA-N 358.482 4.659 30 40 FJEB COc1ccccc1-c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1 2418997 XUPFXRGHJNKSBT-UHFFFAOYSA-N 373.456 4.681 30 40 FJEB aggregator O=C1C=C(c2ccccc2)N(c2ccccc2)C(=O)[C@@]1(Cl)c1ccccc1 2556169 RVRVVRYGNWPGQZ-HSZRJFAPSA-N 373.839 4.778 30 40 FJEB C[C@@H](Oc1ccccc1C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1 3445332 WYDDZFRDDOJGDW-LJQANCHMSA-N 370.452 4.555 30 40 FJEB C=C1[C@@H]2CC[C@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1OC(C)=O 4104839 AQBQBBLJTDSVLC-RJFJTONSSA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro C[C@@H](C#N)OC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 4244465 JWVMSOLHWUJOON-ZDUSSCGKSA-N 373.433 4.599 30 40 FJEB C[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C#N)C1 4646449 ZCZTYISRZJBADG-CSNVJCEJSA-N 354.519 4.899 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccccc1 4660312 YXJBITSODJJEQR-BIXZQSIESA-N 352.459 4.628 30 40 FJEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O 4690143 FEZRXOWJLHQAKV-NTUHNPAUSA-N 360.847 4.510 30 40 FJEB C=CCOc1ccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)cc1 225704998 XPPKJDRPZPGIMO-HXUWFJFHSA-N 368.502 4.624 30 40 FJEB CCc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409279016 GDTZSEVPMPTZAF-UHFFFAOYSA-N 359.473 4.889 30 40 FJEB Cc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](CC(C)C)CC(=O)O4)C2=O)o1 604405013 OJXYGRKKVTXPKA-NWRYFCBHSA-N 352.386 4.643 30 40 FJEB biogenic N#Cc1ccc(-c2ccccc2)n(Cc2ccc(Cl)c(Cl)c2)c1=O 1402911 NYPORRUNFOKOEZ-UHFFFAOYSA-N 355.224 4.742 30 40 FJEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc1CC2 6182343 IKNXDIKILNBQSL-RGVLZGJSSA-N 365.414 4.576 30 40 FJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 13635110 MXUXUOJAKKXKKR-OAQYLSRUSA-N 373.456 4.617 30 40 FJEB C=C/C=C(\C=C/C)C1(C/N=C\c2ccc(OCC)c(OC)c2)CCOCC1 26808275 BIMHMGXMFAABIU-VIROTWQPSA-N 369.505 4.998 30 40 FJEB C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@H]1OC(C)=O 35464984 TUKYTUMQZQFKNX-BXOMYGOZSA-N 360.494 4.748 30 40 FJEB biogenic,in-vitro C(=N\c1ccc2c(c1)[C@H](N1CCOCC1)c1ccccc1-2)\c1ccccc1 104392755 AIYDZRXBGAPSRJ-KRFWEUHSSA-N 354.453 4.839 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 219807219 RQAQVHUISIOMIJ-UHFFFAOYSA-N 361.850 4.657 30 40 FJEB C[C@@H]1CCCCN1Cc1ccc(/N=C2/C=C(O)C(=O)c3ccccc32)cc1 226757101 ANRYFFWMRUYETD-VRYNMQIDSA-N 360.457 4.820 30 40 FJEB COc1ccc(C(=O)[C@@H](C)[n+]2ccc(Cc3ccc(Cl)cc3)cc2)cc1 2684355 YEKIBMGSWXKKCT-MRXNPFEDSA-N 366.868 4.671 30 40 FJEB O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc([N+](=O)[O-])c1 4311083 FSKDTHXRBMNNJT-VQHVLOKHSA-N 364.313 4.659 30 40 FJEB Cc1csc([C@H](C#N)C(=O)CSc2cc(C)c3cccc(C)c3n2)n1 6606690 HGECFQKGEJQSCY-OAHLLOKOSA-N 367.499 4.585 30 40 FJEB Cc1ccc(Cl)cc1/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 16347247 LTRMZJHAQRPXOP-IDUWFGFVSA-N 369.602 4.775 30 40 FJEB CCCCCCCCOc1ccc(CC(=S)N2CCOCC2)cc1F 98045100 DDGRFOBNUDCKEB-UHFFFAOYSA-N 367.530 4.767 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1nnc(SC(C)C)s1 224015221 KFVRJJGLIAJULD-UHFFFAOYSA-N 351.522 4.569 30 40 FJEB CCOc1ccc(/C=N\c2cccc(C)c2)cc1I 408905145 UIUFPAHJSMAIMU-WQRHYEAKSA-N 365.214 4.749 30 40 FJEB CCCOc1ccc2ccccc2c1-c1c2c([nH]c(=N)c1C#N)CCCC2 408981145 UWCSSPMLGURHKE-UHFFFAOYSA-N 357.457 4.854 30 40 FJEB COc1ccccc1/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3 2280166 JNNLJHLCQCBRSN-SRZZPIQSSA-N 366.373 4.685 30 40 FJEB CC(C)(C)c1cc(/C=N/n2c(N)nc3ccccc32)cc(C(C)(C)C)c1O 2378669 SJDCIGUUPVMHEC-ZMOGYAJESA-N 364.493 4.801 30 40 FJEB Fc1ccc(-c2nnc(CO/N=C/c3cccc(Cl)c3Cl)o2)cc1 5467782 ZECGEURZBUNLTK-DNTJNYDQSA-N 366.179 4.733 30 40 FJEB CCCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC 6649702 OPIBLSIKSRJMLH-VMPITWQZSA-N 368.429 4.541 30 40 FJEB [O-]/[N+](=C\c1cccc(F)c1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 80343906 ZJGIKQJLBGDPCS-QFEZKATASA-N 359.360 4.804 30 40 FJEB C=CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(Br)c1 216817812 DTXPVDGUWMYVNJ-UHFFFAOYSA-N 361.235 4.679 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C/c3c(O)ccc4ccccc34)S2)cc1 408529174 GITJUMLFMSJTTF-UNOMPAQXSA-N 360.438 4.745 30 40 FJEB C=CCN(CC=C)C(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408975750 MNDQYRJQEJCZSJ-UHFFFAOYSA-N 373.485 4.635 30 40 FJEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1C 409218212 ZHRULXKLSFXGBO-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB FC(F)(F)CNc1cccc(OCC(F)(F)C(F)(F)C(F)(F)F)c1 1083811746 KVASPWNYPYDFRA-UHFFFAOYSA-N 373.190 4.873 30 40 FJEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)C1CC1 1051155 AUUWHTOYBJAQBT-UHFFFAOYSA-N 362.376 4.710 30 40 FJEB Cc1c2c(n3c(nc4ccccc43)c1C#N)N([C@H](C)c1ccccc1)CC2 4170443 AEOYRDWIWWOEIY-MRXNPFEDSA-N 352.441 4.791 30 40 FJEB N#Cc1cccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 7790824 CMIPEOJXJIUTKZ-UHFFFAOYSA-N 371.469 4.925 30 40 FJEB C=CCSc1nc2ccccc2n1C(=O)COc1ccc(Cl)cc1 26964114 QCOIBTODJZQEAZ-UHFFFAOYSA-N 358.850 4.687 30 40 FJEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccccc1F 28217541 FEKDVMCOEZSDER-LPYMAVHISA-N 366.465 4.554 30 40 FJEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] 32601357 RFWNRYHWKKTRIH-RGVLZGJSSA-N 355.419 4.556 30 40 FJEB C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2C[C@H]1OC(C)=O 35464978 TUKYTUMQZQFKNX-VHCUVLFBSA-N 360.494 4.748 30 40 FJEB biogenic,in-vitro O=[N+]([O-])c1ccc(-c2csc(N/N=C/c3ccccc3Cl)n2)cc1 36067247 WQBFEDKQLYLNNF-GIJQJNRQSA-N 358.810 4.818 30 40 FJEB C=CCSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219814324 XGUBAZZVIQMAJY-KRWDZBQOSA-N 353.487 4.997 30 40 FJEB COc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)ccc1OCC(C)C 408979281 MAMLZUPHVDBDTG-UHFFFAOYSA-N 373.456 4.743 30 40 FJEB Fc1cc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c(F)c(F)c1F 2183255 KNNRVFPPVLXNHZ-UHFFFAOYSA-N 362.204 4.979 30 40 FJEB CCCC/N=C(/S)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 2645588 VKDMQKVSBOCZIQ-SFHVURJKSA-N 351.519 4.975 30 40 FJEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3Nc4ccccc4N32)cc1 9378964 RHBCPBREBOUHCY-OAQYLSRUSA-N 373.456 4.681 30 40 FJEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 22145497 ZLOJIZOYLIFSTI-SFHVURJKSA-N 364.408 4.557 30 40 FJEB N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cnoc2C2CC2)cc1 89775084 UZWCSVIXHVMRSJ-UHFFFAOYSA-N 361.420 4.765 30 40 FJEB CCOc1ccc(/N=C2/S/C(=C\c3ccccc3)C(=O)N2CC)cc1 100259626 YYADRWJPHJLDGO-RABLAQOOSA-N 352.459 4.709 30 40 FJEB O=C1c2c(ccc3ccccc23)O[C@H]1/C=N\OCc1ccc(Cl)cc1 100914106 FEEXRBCETWKRDZ-JGVLGKFESA-N 351.789 4.640 30 40 FJEB CCOc1ccc(C(=O)/C=C/c2ccc3c(c2)OCC(C)(C)CO3)cc1 225371289 YRWRKGBNZBUMRZ-VZUCSPMQSA-N 352.430 4.779 30 40 FJEB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C#N 225854574 KNLIGNCYDBPPJJ-IERDGZPVSA-N 358.482 4.661 30 40 FJEB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)c(C#N)c1 225855078 BARMDHKYTCGVNF-IIBYNOLFSA-N 358.482 4.661 30 40 FJEB N#Cc1c(NC(=O)CN2CCCC2)oc(-c2ccccc2)c1-c1ccccc1 408527109 KWIQUAIYBDPIEO-UHFFFAOYSA-N 371.440 4.520 30 40 FJEB ClC(=C\c1ccccc1)/C=N/N1CCN(c2ccc(Cl)cc2)CC1 1740163 GKTCKRFZPZONDN-QWYLDISPSA-N 360.288 4.728 30 40 FJEB Clc1cccc(Cl)c1/C=N/n1cnnc1SCc1ccccc1 1780576 KNZYHYVYHSSQID-AWQFTUOYSA-N 363.273 4.759 30 40 FJEB C/C(=N\Nc1nc(C)nc2sc3c(c12)CCCC3)c1ccc(C#N)cc1 36271611 GZASULMIAILZTR-WYMPLXKRSA-N 361.474 4.586 30 40 FJEB C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1 101170109 JWLZILSXRBYLTR-CHQQOIJLSA-N 367.492 4.881 30 40 FJEB CC[C@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O 408605969 ZOBQZEWRMDHSDF-RVAQLADHSA-N 352.459 4.756 30 40 FJEB CCc1ccccc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N 898883 KXSRDCISOGHYMD-UHFFFAOYSA-N 361.470 4.708 30 40 FJEB Cc1sc2c(c1C)c(=O)[nH]c1c(C#N)c(-c3ccc(Cl)cc3)cn12 1609255 HMVLMOOMLGOZQI-UHFFFAOYSA-N 353.834 4.651 30 40 FJEB O=C1/C(=N/c2ccc(OCc3ccccc3)cc2)c2cccc3c2N1CCC3 2443703 MNFBKAXUEZDPJL-YYDJUVGSSA-N 368.436 4.679 30 40 FJEB N#Cc1ccc(COC(=O)CSc2cc(Cl)ccc2Cl)cc1 5752823 HKDFEXLBCCUWKC-UHFFFAOYSA-N 352.242 4.701 30 40 FJEB N#Cc1ccccc1CSc1nnc(-c2cccc(Br)c2)o1 7005957 MBYYOPJQAQWQMM-UHFFFAOYSA-N 372.247 4.663 30 40 FJEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 8362978 UOPCDEJIARLKRH-QHHAONBESA-N 367.430 4.527 30 40 FJEB C=CCc1ccc(OCCCSc2nc3ccccc3[nH]2)c(OC)c1 15831924 SNRLCFIROHDBCR-UHFFFAOYSA-N 354.475 4.861 30 40 FJEB biogenic COc1cc(/C=N\N=C(\C)c2ccc3ccccc3c2)cc(OC)c1OC 17023453 FUSJKVOJYARDKE-YBOYZMIGSA-N 362.429 4.709 30 40 FJEB CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c(C#N)c1 225830813 KFFHSQRYTSATKW-UHFFFAOYSA-N 358.482 4.805 30 40 FJEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1O 409212169 NOFQGDNTLHPSTK-QGMBQPNBSA-N 354.631 4.876 30 40 FJEB CCC(CC)/N=C1/NCCCCCOc2ccccc2Oc2ncccc21 643571743 STLFRMFSKUVHRN-UHFFFAOYSA-N 367.493 4.961 30 40 FJEB Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c([N+](=O)[O-])cc1C 1051302 IVBCPOPJRMGHMB-UHFFFAOYSA-N 373.364 4.934 30 40 FJEB N#Cc1nc(COc2ccccc2F)oc1NCc1ccccc1Cl 2202550 SBTNXKWUIDNRCK-UHFFFAOYSA-N 357.772 4.530 30 40 FJEB COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c1C 4764533 PVOFFJDHALUHQE-SDNWHVSQSA-N 359.425 4.981 30 40 FJEB N#Cc1ccsc1NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 6822757 PACJLMUCBUXPMK-UHFFFAOYSA-N 357.438 4.880 30 40 FJEB Cc1occc1-c1nnc(SCc2ccccc2C#N)n1-c1ccccc1 7774901 UOCKNAGJSIHKDM-UHFFFAOYSA-N 372.453 5.000 30 40 FJEB Cc1ccc(SCCCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 10217885 SLKJCUNVOSNXPQ-UHFFFAOYSA-N 356.516 4.928 30 40 FJEB CCOC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(CC)CC)cc2)cc1 16889904 SLWXJMICFIAYMH-CXUHLZMHSA-N 366.461 4.997 30 40 FJEB C/C(=N/N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1 20065417 VQUFBKVUOPSCKJ-BWAHOGKJSA-N 361.464 4.521 30 40 FJEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3C(C)C)cc1 20737316 HVJQCCNUBABGNW-KBXCAEBGSA-N 352.434 4.558 30 40 FJEB C=CCN(C(=O)c1ccnc(SC)c1)c1nc(-c2ccccc2)cs1 97025957 RKCRQGLVEFLWRU-UHFFFAOYSA-N 367.499 4.760 30 40 FJEB CCOc1ccc2ccccc2c1/C=N/OCc1cccc([N+](=O)[O-])c1 408593337 PIDPBAULTROZMA-FYJGNVAPSA-N 350.374 4.697 30 40 FJEB CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(Cl)cc1Cl 1739080 WLSRIWIGDVCHTK-SRZZPIQSSA-N 360.244 4.538 30 40 FJEB CCCC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O 5092799 JDGUPUAAQACHJI-XVEDWSDESA-N 371.531 4.772 30 40 FJEB Fc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccncc3)n2)cc1 5667496 ACINAATZUNRFON-MFKUBSTISA-N 369.403 4.791 30 40 FJEB Cc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 10118809 PZQOTIYEBZMPKM-WSDLNYQXSA-N 369.808 4.940 30 40 FJEB C=CCc1cc(C(=O)NCCCc2ccccc2OCCC)ccc1OC 218657254 MBMYKJDXPBYMKN-UHFFFAOYSA-N 367.489 4.575 30 40 FJEB C=CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br 408554974 FHNXPOMSYAOFRR-UHFFFAOYSA-N 363.211 4.534 30 40 FJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1 984961 SELAXHBKLJRTMO-HNNXBMFYSA-N 352.503 4.952 30 40 FJEB C/C(=N\NC(=S)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 4978344 BBXBUBYBLDURDH-JJIBRWJFSA-N 359.498 4.742 30 40 FJEB N#Cc1ccccc1CSc1nnc(-c2ccc(Br)cc2)o1 7695137 VQHRQCOKBWETJU-UHFFFAOYSA-N 372.247 4.663 30 40 FJEB N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 12766551 KGBZIVJZUAJZSI-NTEUORMPSA-N 367.383 4.567 30 40 FJEB CCOc1ccc(/N=C2/S/C(=C\c3cccs3)C(=O)N2CC)cc1 100259564 HIIROXHAUSYRAG-MPOVVXLQSA-N 358.488 4.771 30 40 FJEB Cc1ccc2c(c1)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n2C 409035783 QQLBQMALKCTNOA-FINSYCMTSA-N 369.284 4.509 30 40 FJEB CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)/C(=N/O)C2 675029673 FDKQOSNDHHMPFP-LLVDFYFISA-N 374.790 4.954 30 40 FJEB Cn1cc(/C=C/C(=O)c2c[nH]c3cc(Cl)ccc23)c(-c2ccncc2)n1 63413204 APSSRGSAGNLGKH-GORDUTHDSA-N 362.820 4.513 30 40 FJEB CN(C/C(O)=N/c1ccccc1Cl)Cc1ncc(-c2ccc(F)cc2)o1 82049983 MMRGGRZQXHQYEO-UHFFFAOYSA-N 373.815 4.854 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)N[C@@H](C)c1ccccc1 98001688 DSFYJDZCWCGGMB-IBGZPJMESA-N 360.542 4.901 30 40 FJEB biogenic O=C(c1cc(F)cc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101472402 MAYQJXNFDHBQOD-UHFFFAOYSA-N 360.122 4.616 30 40 FJEB Fc1ccc(/N=C/c2ccccc2I)cc1Cl 102957947 WSWXXQNRHFQXGV-CAOOACKPSA-N 359.569 4.834 30 40 FJEB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N 225681859 IOUDEOQEGQREJG-UHFFFAOYSA-N 366.436 4.937 30 40 FJEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@]4(C)CC[C@@H]32)C1 253501273 QLMXZKMIBONXSF-GFZDYNDISA-N 354.490 4.926 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F 408707683 QMANNGVFVBYRFD-UHFFFAOYSA-N 356.869 4.675 30 40 FJEB COc1ccc(/C=N/c2ccc(Br)cc2)cc1Br 2878945 MFEDHMDGQBBFMG-RQZCQDPDSA-N 369.056 4.971 30 40 FJEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1Cc1ccco1 7008847 TUKUROFDNFGZCV-NUGSKGIGSA-N 362.355 4.606 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1OC 8367814 SNAWFBXNQWORMS-CIAFOILYSA-N 372.262 4.837 30 40 FJEB CCN(CC)c1ccc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)cc1 8653688 DHPASVKMKRSURC-KGENOOAVSA-N 350.491 4.941 30 40 FJEB COc1ccc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2O)cc1 33376471 XDWGBYCMKJVFDS-ZROIWOOFSA-N 360.409 4.876 30 40 FJEB C#CCOC(=O)c1ccc2nc(-c3ccccc3Br)sc2c1 73635102 GNBBKFRVBZXFGX-UHFFFAOYSA-N 372.243 4.516 30 40 FJEB N#Cc1ccc(SCc2cc3ccccc3c(=O)[nH]2)cc1C(F)(F)F 95945764 DIEIXFSYUJFQMY-UHFFFAOYSA-N 360.360 4.711 30 40 FJEB CCOC(=O)c1c(C)oc2c1/C(=C\NC1CCCC1)C(=O)c1ccccc1-2 103163934 UZIXWMVKEPVNCZ-SFQUDFHCSA-N 365.429 4.501 30 40 FJEB C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC 408659268 KKLQDKLSGXGJKD-IZZDOVSWSA-N 370.832 4.655 30 40 FJEB OCCOc1ccc(Br)cc1/C=N/c1ccc2ccccc2c1 408719777 RRXOEXQSAGVFIO-FYJGNVAPSA-N 370.246 4.724 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC 14400372 DIMKFGNPSRMHNJ-UHFFFAOYSA-N 364.214 4.578 30 40 FJEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 30940782 HCYAIZFMWWWYBI-GOSISDBHSA-N 364.489 4.736 30 40 FJEB C=C(CN(CC(=C)C(=O)c1ccccc1)C(C)(C)C)C(=O)c1ccccc1 31768621 ZNBGMAWFRAVLSE-UHFFFAOYSA-N 361.485 4.965 30 40 FJEB CC(=C/c1ccco1)/C=N/N1CCN(Cc2cccc3ccccc23)CC1 33889340 PWXODHXSENWBIL-KORBYOJDSA-N 359.473 4.640 30 40 FJEB CCOc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OC 59387352 MTBUAXIZTSZAGA-UDWIEESQSA-N 353.447 4.663 30 40 FJEB Cc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1ccco1 102422492 RXVWLGIXAHYWNK-SRZZPIQSSA-N 354.793 4.950 30 40 FJEB O=C(O)c1cc(N/N=C/c2ccc(-c3ccc(F)cc3)o2)ccc1Cl 4933371 GLZMVJKSVKDOKI-UFFVCSGVSA-N 358.756 4.883 30 40 FJEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccccc3[N+](=O)[O-])nc1-2 5514488 MROCSJIPXALPLD-RGVLZGJSSA-N 365.414 4.576 30 40 FJEB N#CC1(c2ccccc2)CCN(C(=O)Nc2cccc3ccccc23)CC1 6884992 AFOGYNUPWSBDHY-UHFFFAOYSA-N 355.441 4.929 30 40 FJEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OC 6959086 VSELGHVKSYLZBF-YBFXNURJSA-N 364.239 4.616 30 40 FJEB C/C(=C\C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C)cc1 13407699 UQJVWPLGIHPMOU-NIEGGPFSSA-N 354.366 4.703 30 40 FJEB COc1ccc(N/C(S)=N\N=C2\CCCc3c(C)cc(C)cc32)cc1 33687370 NPJHYVAHWILMDP-QOCHGBHMSA-N 353.491 4.750 30 40 FJEB C=CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 59488288 OMGPZOYISSYUHH-LICLKQGHSA-N 374.223 4.903 30 40 FJEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224986910 MMYVCLDEDFBRIU-UHFFFAOYSA-N 371.886 4.582 30 40 FJEB C#CCOc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O 408830157 YEMJHMYLKUBMMZ-BOPFTXTBSA-N 371.255 4.791 30 40 FJEB CSc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 5222750 HFZCNPQTIKFOER-UHFFFAOYSA-N 351.456 4.656 30 40 FJEB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C#N)cc1 8706962 FOCFCARIFXQDDO-AOMKIAJQSA-N 353.425 4.886 30 40 FJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C#N)C1 14194686 SKRXZQQIKICORR-HNNXBMFYSA-N 373.566 4.585 30 40 FJEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(C)cc2)ccc1O 59639215 VRUDGGDATYKXPY-OEAKJJBVSA-N 357.413 4.775 30 40 FJEB Cn1c(=O)n(C)c2cc(/N=C/c3c4ccccc4cc4ccccc34)ccc21 75278453 NEVBMBTYEILTTI-MFKUBSTISA-N 365.436 4.934 30 40 FJEB C/C(=N\Nc1ccc2ccccc2n1)c1cnn(-c2ccc(F)cc2)c1C 98055405 ZPTUGJISLICTKR-AFUMVMLFSA-N 359.408 4.704 30 40 FJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 103087424 CPKTWCCGGZZJIM-SELCWUDQSA-N 369.848 4.562 30 40 FJEB O=C(O)c1cccc(-n2cccc2/C=N\c2ccccc2Br)c1 409108021 UKTVYVPEERYASL-NDENLUEZSA-N 369.218 4.689 30 40 FJEB C=C(C)Cn1c(SC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 680171 KDQYXSYYLSDMAF-UHFFFAOYSA-N 366.530 4.966 30 40 FJEB biogenic O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ncc(C(F)(F)F)cc1Cl 3252081 PTJBMTXSCNGMKM-JAZWXOFISA-N 370.718 4.773 30 40 FJEB C#CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(Cl)cc1 4247444 NCIKWILMPUPXOR-FMIVXFBMSA-N 352.846 4.769 30 40 FJEB CCOc1nc2c(c(-c3ccc(OC)cc3)c1C#N)CCc1ccccc1-2 12967947 LLMRRELAOAXMEJ-UHFFFAOYSA-N 356.425 4.793 30 40 FJEB CC[C@H](C)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC 32111811 KVZPEQUQDMILKM-AWEZNQCLSA-N 350.414 4.583 30 40 FJEB COc1ccccc1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O 59224185 FEKVPWLFLRMVFY-SXGWCWSVSA-N 358.850 4.549 30 40 FJEB COc1ccc(C)cc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242809 JBRQHFBZPIBHRM-UHFFFAOYSA-N 368.195 4.655 30 40 FJEB COc1ccc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1 1835516 LFSUDMZRDLYGSZ-SRZZPIQSSA-N 366.373 4.685 30 40 FJEB O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 2303138 DIIAGCCUJQJDPE-FGZHOGPDSA-N 370.408 4.828 30 40 FJEB CC(=O)c1cc(C#N)c(SCC(=O)c2ccc3ccccc3c2)nc1C 3220216 CPNBBJKXJJVKOQ-UHFFFAOYSA-N 360.438 4.593 30 40 FJEB CCOc1cccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)c1O 4067137 JRCHUOOGAGXUBI-OEAKJJBVSA-N 357.413 4.856 30 40 FJEB C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 4170246 PNDIWFPWHBHBEM-GOSISDBHSA-N 367.470 4.636 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H](C)CCc4ccco4)[C@H]3C[C@@H]12 12864516 YKAOGMQSLHIEKX-DKNDHMCESA-N 371.521 4.505 30 40 FJEB biogenic N#Cc1ccccc1-c1ccc(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1 25949777 JIQXHTCQUOFPGP-DEOSSOPVSA-N 372.443 4.938 30 40 FJEB N#Cc1cccc(C(=O)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)c1 217641454 BYYDMIHPTASZKQ-QGZVFWFLSA-N 363.269 4.753 30 40 FJEB COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCCCC3)cc2OC)c1 409251340 PGOAUYMRTLKUFS-HZHRSRAPSA-N 366.461 4.531 30 40 FJEB S=C(N/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 3264558 QCNCDWOHSXVJGS-QGMBQPNBSA-N 358.681 4.967 30 40 FJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2c(C)cc(C)cc2C)NC(=O)N1 5866803 XRLPVNLGKICSFP-IBGZPJMESA-N 368.864 4.776 30 40 FJEB O=C(/C=C/c1cccc(/C=C/C(=O)c2ccc(O)cc2)c1)c1ccc(O)cc1 7973368 FLDXWMYOOZUFOZ-VHUAAIQRSA-N 370.404 4.890 30 40 FJEB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(C#N)c1 8061190 ZFTHCPNAUUFPID-UHFFFAOYSA-N 353.834 4.896 30 40 FJEB Cc1ccccc1N/C(S)=N\Nc1ncc(C(F)(F)F)cc1Cl 8680907 RRBAARYDQIXDBA-UHFFFAOYSA-N 360.792 4.787 30 40 FJEB C=C1[C@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@]3(C2)[C@H]1OC(C)=O 100060675 AQBQBBLJTDSVLC-UXYHVQGFSA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc2ccccc2c1 225044513 PMDZTSRLSTVQRT-UHFFFAOYSA-N 351.471 4.784 30 40 FJEB CCOCCN1C(=O)/C(=C/c2ccccc2C)S/C1=N/c1ccccc1 408929011 OITYMZOGSAFGPS-LRXSNBMBSA-N 366.486 4.636 30 40 FJEB CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408940014 NIPNDHFIMXAXHE-CXUHLZMHSA-N 362.212 4.889 30 40 FJEB COc1cccc(NC2=C(C(=O)Cc3ccccc3)C(=O)CC(C)(C)C2)c1 1440192 ICRNENVHRIIZHR-UHFFFAOYSA-N 363.457 4.562 30 40 FJEB CSc1ccc(/C=C2\CNC/C(=C\c3ccc(SC)cc3)C2=O)cc1 31817448 YFMYNOUCTKNNOG-JYFOCSDGSA-N 367.539 4.770 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2cc1C 34791522 QKPXIIAMCXJPGO-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB O=C(/C(=C\Nc1ccccc1Cl)C(=O)C(F)(F)F)c1cccs1 100038592 DCDKKYFUSOZTJM-CMDGGOBGSA-N 359.756 4.712 30 40 FJEB C=CCc1cc(C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)ccc1OC 225184315 BRAWKUWLMXKBHW-LJQANCHMSA-N 353.462 4.622 30 40 FJEB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225841059 YYDWMWPYMMHJAN-OAQYLSRUSA-N 360.498 4.763 30 40 FJEB C=CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408571327 OIVSNXQFRJTHDW-GOSISDBHSA-N 366.417 4.540 30 40 FJEB C=CCOc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 408573948 GBZOQXJNEXHKCJ-UHFFFAOYSA-N 365.857 4.916 30 40 FJEB O=C(/C=C/N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 721375 IPEZGIFPGVLPHU-CMDGGOBGSA-N 361.272 4.512 30 40 FJEB OC(c1ccccc1)(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F 1675597 GKZONMQJEYWGPZ-UHFFFAOYSA-N 352.249 4.755 30 40 FJEB CCCCCCCCCN1C(=O)c2ccc(Br)cc2C1=O 3188529 ZZNRSFMYEZKSLT-UHFFFAOYSA-N 352.272 4.796 30 40 FJEB C=CCn1c(SCc2ccc(F)cc2)nc2sc(CC)cc2c1=O 3268770 IBAFFKLSMLYNDC-UHFFFAOYSA-N 360.479 4.638 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccs1 8623754 YJUXGAAKPFXDIO-GOSISDBHSA-N 361.466 4.686 30 40 FJEB Cc1sc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C#N)c1C 41091572 MBNGNONIRFGPQE-UHFFFAOYSA-N 367.386 4.657 30 40 FJEB CCCCCCCCCCCCC(=O)CCCC(=O)NCCCCO 98044609 JKOQQKGBYWMCKF-UHFFFAOYSA-N 355.563 4.926 30 40 FJEB O[C@@](C#CCN1CC[C@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 101251919 ZKEKBMWWMAZJKJ-OZXSUGGESA-N 373.540 4.947 30 40 FJEB COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cc1Cl 408776327 NRXARLFIHUKSPP-LICLKQGHSA-N 372.877 4.857 30 40 FJEB F[C@@H](C(F)(F)F)C(F)(F)OCCC(F)(F)C(F)(F)C(F)(F)F 1772820743 XINHDWSLRKIDCW-VKHMYHEASA-N 364.101 4.719 30 40 FJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1 984962 SELAXHBKLJRTMO-OAHLLOKOSA-N 352.503 4.952 30 40 FJEB CC(C)(CO)/N=C1\C=CC2=N[C@]34CCCC[C@H]3CC3=C(CCCC3)N4C2=C1 2289369 PMYKIAMZZBNQCU-ZHTBEGLXSA-N 365.521 4.527 30 40 FJEB C=CCOc1ccc(CN(C)Cc2c(O)ccc3ccc(OC)cc23)cc1 7100270 BWKRNJKPNILHLH-UHFFFAOYSA-N 363.457 4.751 30 40 FJEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)cc1 12860720 AKFZGEHERXZDNY-BKUYFWCQSA-N 372.376 4.531 30 40 FJEB biogenic Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2O)c(C)n1-c1ccc(F)cc1 100116535 VLWCATJYLYOPOH-SRZZPIQSSA-N 353.353 4.598 30 40 FJEB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C#N)c1 225823795 ZPMCSDNFITYZEZ-UHFFFAOYSA-N 360.498 4.763 30 40 FJEB O=C(c1ccc(OC(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)F 575358753 CSNKHJHMDVSIEH-UHFFFAOYSA-N 358.131 4.601 30 40 FJEB Cc1ncsc1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 4107512 HDDVAYMXYLNJNI-KRWDZBQOSA-N 350.399 4.666 30 40 FJEB C=C(Cl)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 5736496 YTVUKLLDODPTJS-UHFFFAOYSA-N 357.866 4.788 30 40 FJEB Cc1ccc(CN(CCc2ccccc2)C(=O)c2cccc(C#N)c2)s1 6545058 WWXBOEHGKLVRKT-UHFFFAOYSA-N 360.482 4.813 30 40 FJEB CC(C)Oc1ccc(/C=N/Nc2nc3ccccc3n2C)c(OC(C)C)c1 7343389 JMUKKRADVDKTBT-LPYMAVHISA-N 366.465 4.594 30 40 FJEB CCc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1 8085136 NFGOOVNCWRKORF-CJLVFECKSA-N 365.454 4.767 30 40 FJEB CC/C(=N\Nc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1O 14196878 CTVNSXDIUPQGIG-LDADJPATSA-N 354.193 4.833 30 40 FJEB CCNc1c(/N=C(\O)COc2ccc(Cl)cc2)c(=O)oc2ccccc12 15942074 VHXVKHMFFJTDNT-UHFFFAOYSA-N 372.808 4.545 30 40 FJEB CN(C)[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccccc1Cl 27990979 IVEYBMMAJWQXGM-GOSISDBHSA-N 366.852 4.581 30 40 FJEB Cc1ccc(C)n1-c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 41542277 BJVOGACYHQPOJF-GOSISDBHSA-N 355.397 4.725 30 40 FJEB C/C(=N\Nc1ccc(Cl)nn1)c1ccc(Oc2ccccc2)c(F)c1 98055015 BYVGZPBHAFOZDZ-CIAFOILYSA-N 356.788 4.898 30 40 FJEB C=CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21 4689779 AUIRIVXEARVCIO-PTNGSMBKSA-N 356.219 4.507 30 40 FJEB COc1ccccc1NC(=S)N/N=C(\C)c1ccc(C(C)(C)C)cc1 5560445 BDSCZJPDYXPRJF-HYARGMPZSA-N 355.507 4.703 30 40 FJEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/C(C)=C/c2ccccc2)S1 6870613 AHXQQNWAJJGOJM-FQHLDWHWSA-N 364.470 4.923 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccs1)OCO3 18197408 GRKAFZBSKLNUJO-SFHVURJKSA-N 353.443 4.677 30 40 FJEB CC(C)N1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 19597290 RRHSEVXTBDLMRI-GDAWTGGTSA-N 353.412 4.725 30 40 FJEB CC(=C/c1ccccc1)/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 20190076 OSJYYUIAIQGBKY-SSBHQHRVSA-N 353.897 4.547 30 40 FJEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccnc2)=C(O)C1 100921824 GYRNBUVBFWSCNP-UHFFFAOYSA-N 369.461 4.568 30 40 FJEB N#CCOc1ccc2ccccc2c1/C=C1\Sc2ccccc2NC1=O 409090506 QYZGGTZBAIDMQC-MOSHPQCFSA-N 358.422 4.827 30 40 FJEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc1 1006818 LTGXOQXOIZIHGA-HATACVMWSA-N 372.877 4.973 30 40 FJEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)CC(=O)N2c1ccccc1 2311441 FCATUGWLWLUEAV-QGZVFWFLSA-N 351.833 4.868 30 40 FJEB CCCCCCCOC(=O)Nc1ccc(I)cc1 3090179 WPSCDQYLKAXHGN-UHFFFAOYSA-N 361.223 4.810 30 40 FJEB CN(C)c1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 3895231 CLHVQOUENCCQKO-UHFFFAOYSA-N 355.437 4.902 30 40 FJEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)Sc1ccccc1N2 7449648 SZJNLCJJLAOXLU-FQEVSTJZSA-N 351.427 4.681 30 40 FJEB Cc1cccc(N2CCC/C2=N\c2ccc(Br)cc2C#N)c1 13118696 NRJIENPUYNDOSD-DYTRJAOYSA-N 354.251 4.960 30 40 FJEB N#Cc1c(N)nc(SCc2ccc(F)cc2)c(C#N)c1-c1cccs1 19597218 DJVHHOOYRQWMDO-UHFFFAOYSA-N 366.446 4.567 30 40 FJEB C/N=C1/S/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)N1C 59104666 JSIKVKSSKUXAOD-ZWXHXAJVSA-N 373.909 4.588 30 40 FJEB C=CCn1/c(=N/C(=O)CCSc2ccccc2)sc2cc(C)ccc21 100875928 GCVNYLQBUWAJMF-MRCUWXFGSA-N 368.527 4.807 30 40 FJEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(O)cc3)c2)cc1C 409385265 HBTKAUYSODJIKC-ZVHZXABRSA-N 374.440 4.777 30 40 FJEB C=CCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2295108 KDBRKCFUPNUPRR-UHFFFAOYSA-N 368.506 4.812 30 40 FJEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc4c(c3)CCC4)cc2)cc1 3355465 IYTUCCVJJZFULH-UHFFFAOYSA-N 368.436 4.731 30 40 FJEB C(=N/Nc1nc(-c2ccccc2)c2ccccc2n1)\c1nc2ccccc2[nH]1 3897988 KYGVAEMRRNYWPU-OEAKJJBVSA-N 364.412 4.619 30 40 FJEB Cc1nc(SCC(=O)c2cc(C)n(C3CC3)c2C)c(C#N)c(C)c1C 7181385 NEVSDUVFQJYTAP-UHFFFAOYSA-N 353.491 4.607 30 40 FJEB Cc1cccc2c1[nH]c1nc(N/N=C/c3ccc(Cl)cc3Cl)nnc12 8321081 ODPNSWHLQATQER-DNTJNYDQSA-N 371.231 4.567 30 40 FJEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2ccc(C(C)C)cc2)C1=O 59516320 FBTKNRGACQFRTB-XSFVSMFZSA-N 361.441 4.687 30 40 FJEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccccc3)c(C)c2s1 72228575 DNLFFJKFMXRITO-UHFFFAOYSA-N 352.463 4.973 30 40 FJEB CCCCCCCCOc1ccc(NS(=O)(=O)N2CCCCC2)cc1 98043333 RTDLGUNPFQJIJT-UHFFFAOYSA-N 368.543 4.569 30 40 FJEB CCCCCCCc1nc(C#N)c(N/N=C/c2ccc(OC)cc2OC)o1 101411514 PKDUMOANMGCWLV-HYARGMPZSA-N 370.453 4.522 30 40 FJEB N#C[C@]1(c2ccccc2)CCc2c(sc3ncnc(N4CCCCC4)c23)C1 717334 QEHVYEYGVKNYEY-QFIPXVFZSA-N 374.513 4.632 30 40 FJEB N#Cc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 2629180 HVIFZUMRCVGIIF-UHFFFAOYSA-N 369.140 4.592 30 40 FJEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN[C@H](C)CCc4ccco4)[C@@H]3C[C@H]12 6824182 YKAOGMQSLHIEKX-FZOTZAJGSA-N 371.521 4.505 30 40 FJEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NCc1ccco1 8844480 SELVZHJISUGPRG-UHFFFAOYSA-N 361.357 4.590 30 40 FJEB N#Cc1cccc(COc2cccc(CNc3ccc4[nH]ncc4c3)c2)c1 89780718 CBFBIRDCHDXZSP-UHFFFAOYSA-N 354.413 4.626 30 40 FJEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1 216829286 KMKSRLJKSCIMKX-UHFFFAOYSA-N 364.800 4.800 30 40 FJEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1 225683740 MLHBVQHHUPUTJV-UHFFFAOYSA-N 366.436 4.935 30 40 FJEB C#CCOc1c(Br)cc(CNc2cccc(C)c2)cc1OCC 409115788 KONZSDBZPXFFHF-UHFFFAOYSA-N 374.278 4.780 30 40 FJEB N#Cc1c(SCc2cccc(F)c2)nc2c(c1C(F)(F)F)CCC2 663895 VPYBPQHWVAFJNV-UHFFFAOYSA-N 352.356 4.892 30 40 FJEB Cc1ccc(CSc2nncn2/N=C/c2c(F)cccc2Cl)cc1 1286335 POIGWIZCJIKKAN-ZVBGSRNCSA-N 360.845 4.554 30 40 FJEB Clc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1Cl 1780573 MCHUAJGDFILURA-AWQFTUOYSA-N 363.273 4.759 30 40 FJEB COc1ccc(C(=O)/C=C/c2ccc(F)c(Br)c2)cc1OC 5129383 DMNOIRWHKNMDKE-QPJJXVBHSA-N 365.198 4.502 30 40 FJEB O=C1/C(=N\OCc2cccc(Cl)c2)c2ccccc2N1c1ccccc1 5483756 IGXLWUDDLGPTSF-ATJXCDBQSA-N 362.816 4.939 30 40 FJEB O=C(/C=C/c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 5515454 FVXKLZCGEMRZHD-SDNWHVSQSA-N 372.380 4.743 30 40 FJEB O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1F 6831965 WCISHFJLDNAOMZ-PKNBQFBNSA-N 354.381 4.620 30 40 FJEB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2C(C)C)cc1 6852289 OFHQYHZBQCPQIL-UHFFFAOYSA-N 364.474 4.699 30 40 FJEB CCNc1c(/N=C(\O)Nc2cccc(Cl)c2C)c(=O)oc2ccccc12 28048729 LPLRVPJPPUPWQI-UHFFFAOYSA-N 371.824 4.844 30 40 FJEB N#C[C@H](c1ccc(Br)cc1)N1CCC(c2ccc(Cl)cc2)=N1 44973428 YPJQSOSWGISMAR-QGZVFWFLSA-N 374.669 4.777 30 40 FJEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(F)cc1Br)C2 100261737 AZKXBBBYDKHVRT-APPDUMDISA-N 352.247 4.909 30 40 FJEB C[C@@H](/C(=N/Nc1ccccc1)c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc21 104295170 QFIOQZMUCYTKEW-HRIVCEAYSA-N 372.424 4.547 30 40 FJEB C=CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 223363788 JYKOTERWRQDGCY-UHFFFAOYSA-N 371.849 4.676 30 40 FJEB C=CCOc1cccc(NC(=S)NCCSCc2ccccc2C)c1 225362506 CDKKVSLNRTWLDG-UHFFFAOYSA-N 372.559 4.780 30 40 FJEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 226319747 RBMFJEQAHZUURW-UHFFFAOYSA-N 367.228 4.924 30 40 FJEB CC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C#N)c1C 409066947 IDXAUGPUXSXGBT-UHFFFAOYSA-N 353.230 4.690 30 40 FJEB CCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2)C1=O 4888369 VIKVZADFICWSDY-SQULJVTFSA-N 365.502 4.629 30 40 FJEB C=CCSc1nc2c(c(=O)n1CCC)C1(CCCC1)Cc1ccccc1-2 5066932 ZXUBIHZYFOGEJE-UHFFFAOYSA-N 366.530 4.966 30 40 FJEB Cc1ccccc1-n1c(SCCC#N)nnc1-c1ccc(Cl)cc1 5931462 NILRKKBHWQLGOT-UHFFFAOYSA-N 354.866 4.902 30 40 FJEB CCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10119055 BQDMRUSMZXRBKU-SRZZPIQSSA-N 353.249 4.524 30 40 FJEB N#Cc1ccc(-c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)cc1 12249691 BIEGBYKJUKRJHB-UHFFFAOYSA-N 371.421 4.813 30 40 FJEB COc1ccc(C(=O)/C=C\Nc2ccccc2C(=O)c2ccccc2)cc1 16216165 FURAIJYBWWNINZ-NXVVXOECSA-N 357.409 4.735 30 40 FJEB CCCNc1c(N/C(O)=N/c2cccc(Cl)c2)c(=O)oc2ccccc12 28048682 XJLJMIHIXHCZBB-UHFFFAOYSA-N 371.824 4.926 30 40 FJEB C=C(C)CSc1nc2c(c(=O)n1CC)C1(CCCC1)Cc1ccccc1-2 857333 GXXKMXWBJWRYHK-UHFFFAOYSA-N 366.530 4.966 30 40 FJEB biogenic CCCCCCCC[N+](C)(C)CCOc1ccc2c(C)cc(=O)oc2c1 2090357 FIWJYUJIICZRSP-UHFFFAOYSA-N 360.518 4.917 30 40 FJEB biogenic C=CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1OC 2093489 DWPIOFCITOUCMR-UHFFFAOYSA-N 362.267 4.943 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CCN3CCCCCC3)CC[C@@H]21 4027789 UWQHCHABBAIPPF-FJIJXJHWSA-N 367.533 4.963 30 40 FJEB biogenic CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1Cl 4626487 QWLUBTFZXBHWNM-KSSFIOAISA-N 363.885 4.841 30 40 FJEB C/C(=N\Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 4713171 PXHUMCPBKXWZJF-WSDLNYQXSA-N 367.796 4.541 30 40 FJEB COc1cc(Cl)c(C)cc1/N=C/c1cc(Br)ccc1O 44835890 GUDFWWZADUNPRV-QGMBQPNBSA-N 354.631 4.876 30 40 FJEB COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2ccc(OC)cc2)o1 408669919 XLOZCMWJJZFHBA-ACCUITESSA-N 362.381 4.638 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccccc2F)cc1 408912474 QXDOMGQXVDIEEA-XKZIYDEJSA-N 365.364 4.759 30 40 FJEB C/C(O)=N/c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 2252853 KIIVZUJOKGVCAL-QGZVFWFLSA-N 365.824 4.595 30 40 FJEB CCSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)N2 5980680 HKISKVVFRKIYCO-GOSISDBHSA-N 368.506 4.536 30 40 FJEB CC(=O)Nc1ccc(/C(C)=N/OCc2ccc(Cl)c3cccnc23)cc1 54182568 RURWJOITZIPPNF-ZMOGYAJESA-N 367.836 4.787 30 40 FJEB N#Cc1ccc(N[C@H](COCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 84539493 BUXWLIRXBGPPHM-OAQYLSRUSA-N 373.412 4.836 30 40 FJEB CSc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 107725460 LEZZNJLLQSMMPG-HZHRSRAPSA-N 371.465 4.668 30 40 FJEB COc1ccc(Br)cc1/C=N/c1cc(C)nn1-c1ccccc1 408968677 AYFWVOPGGOLIGY-UDWIEESQSA-N 370.250 4.702 30 40 FJEB COc1cccc(-c2nc(Oc3ccc(C#N)cc3)c3ccccc3n2)c1O 2395240 PYNUVHQBXULRQM-UHFFFAOYSA-N 369.380 4.675 30 40 FJEB C=CCNC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 4487971 RGLVBMQSSPQWKD-UHFFFAOYSA-N 370.861 4.723 30 40 FJEB O=C1C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)c2ccccc21 4566740 APGOJFWXKIKCNX-UHFFFAOYSA-N 372.405 4.770 30 40 FJEB Fc1ccc(Br)cc1/C=N/Nc1nc2ccccc2s1 6238107 VORMNMOQLDSXAA-CAOOACKPSA-N 350.216 4.644 30 40 FJEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1cccc(C)c1 6743921 ODCWFRFUQSYNHE-UHFFFAOYSA-N 362.433 4.574 30 40 FJEB C=CCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1OCC 6844846 HQFUGUIUNNEDNX-UHFFFAOYSA-N 361.441 4.733 30 40 FJEB COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1C 408739031 RRTNRRYVDIRIRB-YVLHZVERSA-N 372.877 4.857 30 40 FJEB COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1C 408868136 LONXVLHUMVHCDT-YVLHZVERSA-N 372.877 4.857 30 40 FJEB N#Cc1c(NC(=O)c2ccccc2Br)sc2c1CCCC2 825446 UTVJDJGOECBNNT-UHFFFAOYSA-N 361.264 4.513 30 40 FJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 4033353 KOCKLTXACHLDSI-GOSISDBHSA-N 359.473 4.750 30 40 FJEB CCOc1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1OC 6625497 XSHFKQJSUHNTBA-KEBDBYFISA-N 354.233 4.951 30 40 FJEB O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccnc1 7739520 KOYHRGSRWCADGB-ZHACJKMWSA-N 362.816 4.883 30 40 FJEB CCc1c(C)sc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C#N 2465493 CTJGCFNVAPCQFT-UHFFFAOYSA-N 355.394 4.537 30 40 FJEB N#Cc1ccccc1COc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1 6338263 PMOWJIQVXMKNAM-QFIPXVFZSA-N 371.465 4.834 30 40 FJEB Cc1ccc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 26687370 WKMNJMZXTZBDPA-SRZZPIQSSA-N 361.426 4.671 30 40 FJEB COc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)c(C#N)cc2c1 35289038 GWBHQEQPHXMAGN-UHFFFAOYSA-N 368.845 4.743 30 40 FJEB CCCCCCCCOc1ccc(C(=O)O[C@@H]2C(=O)OCC2(C)C)cc1 59608645 BGLWOTFHYXURLQ-GOSISDBHSA-N 362.466 4.534 30 40 FJEB Cc1ccc(C(=O)/C=C/c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1 165106902 MQWPUFKVQYAXOS-OUKQBFOZSA-N 363.369 4.971 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1OC 224126809 FACIUNMAMQJGFW-UHFFFAOYSA-N 358.441 4.662 30 40 FJEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccccc1 408561699 KGYWAXSIBGFLPQ-UHFFFAOYSA-N 372.538 4.708 30 40 FJEB CCCc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)no1 3909018 ICVKMSKXKWSWAD-LBPRGKRZSA-N 371.506 4.964 30 40 FJEB O=C(/C=C/c1ccccc1)c1cc(C(=O)/C=C/c2ccccc2)c(O)cc1O 12418129 CAAJXTJDBCGUNB-PHEQNACWSA-N 370.404 4.890 30 40 FJEB CC(=O)Nc1c(/N=C\c2ccc([N+](=O)[O-])cc2)cc2c3c(cccc13)CC2 104061337 PNQBCBUKGJVUEU-UUYOSTAYSA-N 359.385 4.556 30 40 FJEB Cc1ccc(N2C(=O)C[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1 1079544 ZVHKSMZTELDOKM-SFHVURJKSA-N 360.457 4.554 30 40 FJEB NC(=O)CCCCCCCCC#CC#CCCCC#CC#Cc1ccccc1 5256987 TWXAGHCCTUUOHW-UHFFFAOYSA-N 371.524 4.825 30 40 FJEB Cc1ccc(C[C@H](C#N)Sc2nc(C3CC3)n(-c3ccccc3)n2)cc1 7435932 VWWBCKKGFAVNCX-LJQANCHMSA-N 360.486 4.680 30 40 FJEB C=CCSc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 23326421 SYWGUQFROFYZPX-UHFFFAOYSA-N 355.488 4.572 30 40 FJEB C[C@H]1CCc2c(sc3ncnc(N/N=C\c4ccc(Cl)cc4)c23)C1 31851595 SWYIRPDKBLMFEC-LAIOCUFKSA-N 356.882 4.916 30 40 FJEB C[C@@H](CC(=O)N[C@H](C#N)C1CCCCC1)c1cccc(C(F)(F)F)c1 72313189 GYRQDXALMRRRAZ-SUMWQHHRSA-N 352.400 4.788 30 40 FJEB Cc1ccc(S(=O)(=O)/N=C(/Oc2ccccc2C)c2ccccc2)cc1 102947344 QOKRLWSTCMHLGY-QURGRASLSA-N 365.454 4.518 30 40 FJEB C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc2ccccc2c1 225043454 IQLGOOXQPKHRTE-UHFFFAOYSA-N 351.471 4.838 30 40 FJEB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1 225683701 HHOMSYJVFNQEKH-UHFFFAOYSA-N 366.436 4.937 30 40 FJEB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C#N 225823621 IMPMXKXXIMMRBX-UHFFFAOYSA-N 360.498 4.763 30 40 FJEB Cc1cc(Sc2nc3ccccc3[nH]2)n2c(nc3ccccc32)c1C#N 2585280 HIDRNJKPICZXRO-UHFFFAOYSA-N 355.426 4.695 30 40 FJEB N#CCCN(C(=O)CSc1nc2cc(Cl)ccc2o1)c1ccccc1 3220974 NOZJGJPOHYYQQE-UHFFFAOYSA-N 371.849 4.520 30 40 FJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 4033275 RDVDZMNXLDPNEN-GOSISDBHSA-N 359.473 4.695 30 40 FJEB O=C(/N=C1\S/C(=C/c2ccco2)C(=O)N1c1ccccc1)c1ccccc1 4525855 QCEYYSYUGMKNQF-LTQOCESHSA-N 374.421 4.597 30 40 FJEB COc1ccc2cc(/C(C)=N/NC(=S)Nc3ccc(F)cc3)ccc2c1 5560382 LBZPEKRDAWDDJI-YDZHTSKRSA-N 367.449 4.698 30 40 FJEB COc1ccc(/C(C)=N/Nc2ncc(-c3sc(C)nc3C)s2)cc1 5724588 OWRHYBPSPASUMA-KEBDBYFISA-N 358.492 4.728 30 40 FJEB CCc1ccc(/N=C2\NC(=O)[C@@H](Cc3ccc(C)c(Cl)c3)S2)cc1 5809659 KSKCVIVTQUBRMW-QGZVFWFLSA-N 358.894 4.673 30 40 FJEB C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 6650145 DIZZJKKXOONYAK-KRWDZBQOSA-N 371.440 4.576 30 40 FJEB C=CCNC(=S)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 7659766 JQSLWLAACLTZSB-MRXNPFEDSA-N 369.921 4.603 30 40 FJEB CCCCCCCC1=NN2C(=N)/C(=C/c3cccc(C)c3)C(=O)N=C2S1 8452995 QLQDJVLFOPQVNM-IGLFKNPDSA-N 368.506 4.975 30 40 FJEB CC(C)(C)c1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 13769025 URTBVIYLUZUBBQ-UHFFFAOYSA-N 359.493 4.569 30 40 FJEB Cc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4[nH]3)c2)cc1 14134286 FJQWWNAPJKRSPC-OEAKJJBVSA-N 356.429 4.896 30 40 FJEB CN(C)/C=C(/C=C\C(=O)/C=C/C(=C/N(C)C)c1ccccc1)c1ccccc1 226503814 RHIYEEQNVNGLLD-SBMRXSIDSA-N 372.512 4.873 30 40 FJEB COc1ccc2ccccc2c1C=Nn1c(S)nnc1C1CCCCC1 245241755 OFJSCIWFAANHAS-UHFFFAOYSA-N 366.490 4.659 30 40 FJEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1cccc(F)c1 408594016 DBLHHPMMNQLAEB-AFUMVMLFSA-N 360.388 4.827 30 40 FJEB Cc1cc(C)cc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)c1 2751324 STVOMCWNIPLTRO-UHFFFAOYSA-N 365.396 4.573 30 40 FJEB CCCOc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])c(OCCC)c1 5781377 IXEWTOMGRFTTGX-XSFVSMFZSA-N 357.410 4.618 30 40 FJEB C/C(=N/N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 6157520 JNQOODVQPOXQBG-QQTULTPQSA-N 355.485 4.900 30 40 FJEB CC1(C)Cc2c(C#N)c(N3CCCCC3)nc(-c3ccco3)c2CS1 13764052 JFARUDVUKQZPHB-UHFFFAOYSA-N 353.491 4.771 30 40 FJEB O/N=C1/CCCCCCCCCC[C@H]1Sc1nnnn1-c1ccccc1 100965007 ABMJTRYZFJGKRL-QUWSGOTNSA-N 373.526 4.868 30 40 FJEB CCCc1c/c(=N\c2ccc(OCC)cc2)n2c([nH]c3ccccc32)c1C#N 102867808 PXGYFRXLGKQLQZ-YYDJUVGSSA-N 370.456 4.876 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1Cl 4664174 DLHIZHOJLOSFMH-LICLKQGHSA-N 372.877 4.857 30 40 FJEB Cc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc1 5376305 AYNBSAZPAOVWTL-GDNBJRDFSA-N 373.275 4.649 30 40 FJEB CC/N=c1\scc(-c2ccc(C)cc2)n1/N=C/c1ccc(F)cc1F 12603355 WICRPQVOUDEMNJ-QYABOWSRSA-N 357.429 4.606 30 40 FJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCC4)o3)o2)cc1C 33027094 MLVKRFPOARHMLK-UHFFFAOYSA-N 363.417 4.602 30 40 FJEB Cc1noc2c1[C@H](c1cc(Cl)ccc1O)C1=C(CC(C)(C)CC1=O)N2 72332310 BFHLHJMMMJHWEJ-INIZCTEOSA-N 358.825 4.543 30 40 FJEB COc1ccc([C@@H](CNc2oc(C)nc2C#N)c2c[nH]c3ccccc23)cc1 94992877 VVZAWZCSFDYOHQ-GOSISDBHSA-N 372.428 4.589 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)C(Cl)(C(F)(F)F)C(F)(F)F 95707838 NTLNMNNHUJOUOM-UHFFFAOYSA-N 354.493 4.922 30 40 FJEB Cc1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 100138568 KVQVUDVYXSGLSB-HAHDFKILSA-N 350.462 4.573 30 40 FJEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c1 408910146 WNFXPLQFSSMOOX-BIXZQSIESA-N 352.459 4.708 30 40 FJEB C=CCOc1c(CC=C)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1OC 409072349 VCJLYLNDCMQDJY-KGENOOAVSA-N 352.390 4.647 30 40 FJEB C=CCOc1c(CC=C)cc(CNc2ccc(OC)cc2)cc1OCC 409118383 PSIPVPKAVGCQRX-UHFFFAOYSA-N 353.462 4.999 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N1CCc3ccccc3[C@@H]1CC21SCCS1 1322167 QTVLAXQYDPELMB-INIZCTEOSA-N 371.571 4.809 30 40 FJEB biogenic CN(c1ccccc1)c1ccc(/C=N/N=c2/sc3ccccc3n2C)cc1 3456219 ZEQGKJKXUCZRQG-VBIHIHSNSA-N 372.497 4.943 30 40 FJEB CSc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)NC2=O)cc1 4599779 ANMNOAXUEPAUCK-GZTJUZNOSA-N 354.500 4.917 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)cc1 5797166 XLWCFHOEUSKIDY-CPNJWEJPSA-N 364.470 4.951 30 40 FJEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 5800761 RZQFZDUSLYNZIZ-OAQYLSRUSA-N 369.420 4.778 30 40 FJEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1 5985156 JGFSVSNPOIWYFE-UNOMPAQXSA-N 361.470 4.632 30 40 FJEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6638159 DJLCVGJYXQEBEQ-JTQLQIEISA-N 368.742 4.636 30 40 FJEB COc1ccc(-c2[nH]/c(=N/N=C/c3ccc(Cl)cc3)sc2C)cc1 6796296 YFIAUSZDIDPOBC-RGVLZGJSSA-N 357.866 4.648 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1O 13135209 SZFCOZRINPXMIZ-FNORWQNLSA-N 361.235 4.676 30 40 FJEB [N-]=[N+]=Nc1c(C(=O)Nc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 15276252 YNNWXGLKSVQLFX-UHFFFAOYSA-N 368.352 4.656 30 40 FJEB N#CCCSc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12 95953699 ZUSMFPMWHFIRFR-UHFFFAOYSA-N 364.474 4.538 30 40 FJEB C/C(=N\c1ccccc1O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370441 CDMGIIIDHATSER-BUVRLJJBSA-N 370.408 4.543 30 40 FJEB N#CCCSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 3504388 ISWPLTCIQUAUNM-UHFFFAOYSA-N 354.866 4.653 30 40 FJEB COc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccc(C)cc2)NC1=O 6627347 YNJDVOZKWNARLK-YBEGLDIGSA-N 358.850 4.549 30 40 FJEB O=C(Cc1cccc2ccccc12)Nc1cccc(C#Cc2ccccn2)c1 12539810 TZBBHDJTVNDWJU-UHFFFAOYSA-N 362.432 4.816 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1(F)F 100045540 NGEYGRCDNBGSKG-WOCMDNMUSA-N 358.175 4.546 30 40 FJEB CCOC(=O)c1c(C)oc2c1/C(=C/NC1CCCC1)C(=O)c1ccccc1-2 100292219 UZIXWMVKEPVNCZ-ATVHPVEESA-N 365.429 4.501 30 40 FJEB Fc1c(F)c(F)c(CCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F 104271277 QDEBTPSMADCMKH-UHFFFAOYSA-N 362.166 4.863 30 40 FJEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1C 408560356 GXNDWKSRVXCGLX-UHFFFAOYSA-N 374.554 4.676 30 40 FJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccn1-c1ccccc1 409108050 URYRBVAJRIERHQ-WSDLNYQXSA-N 374.322 4.850 30 40 FJEB CCCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C#N 872076 QEPBRDJMJUTYMG-UHFFFAOYSA-N 355.463 4.536 30 40 FJEB C=CCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(C)cc3)coc2c1 1777075 CSJALXCXYZWPQV-UHFFFAOYSA-N 352.342 4.595 30 40 FJEB COc1ccc(C)cc1N/C(S)=N/C(=O)c1ccc(Cl)cc1Cl 5553093 ULEWYYBTJXHJQT-UHFFFAOYSA-N 369.273 4.849 30 40 FJEB C[C@H]1CCC[C@@H](C)N1/N=C/c1ccc(/C=N/N2[C@@H](C)CCC[C@H]2C)cc1 5559140 JJAHCZGJBCPVDU-GCQOIVHDSA-N 354.542 4.880 30 40 FJEB Cc1sc2ncnc(N/N=C/c3ccccc3C(F)(F)F)c2c1C 6685249 LFOAMXGFMALAID-QPJQQBGISA-N 350.369 4.773 30 40 FJEB CCCC(=O)Nc1ccc(-c2csc(N/N=C/c3ccccc3)n2)cc1 6782923 IXUAVUXIUIRZAG-FYJGNVAPSA-N 364.474 4.995 30 40 FJEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCCC3)c2C#N)C1 8471162 YHPZJSAIPLNRGD-HNNXBMFYSA-N 373.566 4.585 30 40 FJEB C/C(=N\N=C(\S)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 13865416 DFCFMPDQGXRZSE-FYJGNVAPSA-N 355.463 4.661 30 40 FJEB Fc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 59681188 XOTIJUGLEYOANP-HZHRSRAPSA-N 350.393 4.673 30 40 FJEB C[C@H](CC(=O)N[C@@H](C#N)C1CCCCC1)c1cccc(C(F)(F)F)c1 72313188 GYRQDXALMRRRAZ-DYVFJYSZSA-N 352.400 4.788 30 40 FJEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 96193278 OPDFKDMMTWNGNG-AQTBWJFISA-N 352.821 4.711 30 40 FJEB CCCCCCCCCCCCCCCCNC(=O)[C@H]1CCC(=O)N1 97949442 XLAGMMKLUVKKMA-LJQANCHMSA-N 352.563 4.863 30 40 FJEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@H](C)CC)C1=O 409010966 DZGWINYSBQQGQU-NFECSFHCSA-N 365.454 4.687 30 40 FJEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccccn1 409254374 WYZMHRFRYDBLSM-SRZZPIQSSA-N 354.797 4.801 30 40 FJEB N#C[C@H](C(=O)c1cncs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 559283853 KJRURNGZBXTTKE-OBCXLNGBSA-N 369.515 4.557 30 40 FJEB CCOC(=O)C1=C(C)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)s1 1084994 JPZCTSVFFQFAFK-IBGZPJMESA-N 374.502 4.905 30 40 FJEB Cc1cccc(N/N=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c1C 4175504 ODABTPZZTGWRCX-ULJHMMPZSA-N 350.422 4.906 30 40 FJEB CCOc1ccc(N/N=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 5023278 GWOWPTHHFFCLCL-ULJHMMPZSA-N 366.421 4.688 30 40 FJEB Cc1ccc(C[C@@H](C#N)Sc2nnc(C(C)C)n2Cc2ccco2)cc1 48314834 ROQVAHVBRIIJDX-SFHVURJKSA-N 366.490 4.578 30 40 FJEB CCCCCCC[C@H](O)CC(=O)O[C@@H](CCCCCCC)CC(=O)O 87527743 ZFPAFAWFRTWCSK-ROUUACIJSA-N 358.519 4.845 30 40 FJEB biogenic,in-vitro COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1Cl 408849244 YPHZDJZCGSLENY-LPYMAVHISA-N 368.820 4.677 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc2c1 898901 DWENFSDLLUBKIJ-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C=O 4028815 SGHGOYDALDCQEW-BZNRXQDOSA-N 358.478 4.977 30 40 FJEB biogenic C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(OC)cc1 4356750 VQEUGVJIKNLYTQ-UHFFFAOYSA-N 351.475 4.740 30 40 FJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1 6815572 KBQCDWHSBWBJAS-UDWIEESQSA-N 359.813 4.695 30 40 FJEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1 6869758 QIBUVXXCDBQEHX-RGEXLXHISA-N 365.502 4.733 30 40 FJEB Cc1ccc(/C(=N/S(=O)(=O)c2ccc(C)cc2)Nc2ccccc2)cc1 18029431 MZLBEDCEXBFOGO-UHFFFAOYSA-N 364.470 4.551 30 40 FJEB CCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1 20672552 KGVJNGGACUDNRF-NRFANRHFSA-N 361.445 4.703 30 40 FJEB Cc1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccc(Br)cc1 32934851 HWCFJLFQCGKXAX-FMIVXFBMSA-N 367.246 4.839 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2cc(OC)c(Cl)cc2OC)cc1 51318909 MYMMLDDQTQCHDA-MDZDMXLPSA-N 361.825 4.564 30 40 FJEB Cc1cc(O)c(C(=O)/C=C/c2cc3ccccc3c3ccccc23)c(=O)o1 227173610 WBMMUQXQFCLXQJ-ZHACJKMWSA-N 356.377 4.856 30 40 FJEB CN(/N=C1/C=C(c2ccc(-c3ccccc3)cc2)OC1=O)c1ccccc1 5913492 AYXDAHVDCANLJM-FLFQWRMESA-N 354.409 4.744 30 40 FJEB N#Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 12403943 RAKZIIFUUFXYFT-GMAHTHKFSA-N 351.409 4.801 30 40 FJEB CCOc1ccc(/N=c2\c(CC)c(C)c(C#N)c3[nH]c4ccccc4n23)cc1 102594444 JQRBHJKJZIFIJA-YYDJUVGSSA-N 370.456 4.794 30 40 FJEB C=CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225578616 UWAZPLCHPOLKMF-GOSISDBHSA-N 368.502 4.840 30 40 FJEB COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409040911 IQYOTHUNALBADL-NYAPKIOYSA-N 368.252 4.562 30 40 FJEB N#C[C@H](C(=O)c1ccc(Br)s1)c1nc2ccccc2s1 3164103 SVPZKYHDVXBLRK-MRVPVSSYSA-N 363.261 4.610 30 40 FJEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccccc1Cl 5156095 WWOOPDCUXBWGCZ-ZDLGFXPLSA-N 366.756 4.768 30 40 FJEB Cc1cccc(-c2ccc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1 13116520 SEODKLQGXIXELB-BUVRLJJBSA-N 371.440 4.803 30 40 FJEB COCc1cc(C)nc(N/N=C\c2cccc(Oc3ccccc3)c2)c1C#N 31849073 QMYPZUDMBFFMAN-OYKKKHCWSA-N 372.428 4.646 30 40 FJEB N#C[C@H](C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C(F)(F)F)cn1 48829739 ZCWCJXNSAYSYGI-SRVKXCTJSA-N 364.289 4.645 30 40 FJEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 225045801 QGPJLAHEPBODDV-UHFFFAOYSA-N 357.862 4.875 30 40 FJEB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccc(F)cc1 409235491 BPQJJKGWRSLTHA-RAVUSLCOSA-N 365.433 4.931 30 40 FJEB CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 1959810 VCUNLHPXEPHSPX-AWEZNQCLSA-N 368.502 4.885 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC 6639922 YXCWVVRZJIODCQ-QPJJXVBHSA-N 367.228 4.915 30 40 FJEB C=CCSc1nnc(NC(=O)c2sccc2-c2ccccc2)s1 6856163 RHSZDHTZWMYRRU-UHFFFAOYSA-N 359.501 4.797 30 40 FJEB CCc1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 8466706 JLVMMVLYPFSJMT-HXUWFJFHSA-N 355.437 4.551 30 40 FJEB CC(=O)c1cc(C#N)c(SCCCOc2ccc(Cl)cc2)nc1C 12909807 AYDQKMPEPDCUIV-UHFFFAOYSA-N 360.866 4.679 30 40 FJEB CC/C(=N\Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccccc1 13343777 LSHWHVUBSZHRQS-AWQFTUOYSA-N 372.639 4.966 30 40 FJEB Cc1ccc(N/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)c(C)c1 28294304 MZPLVVSBZLHNIQ-XFXZXTDPSA-N 353.365 4.675 30 40 FJEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2cccc(Cl)c21 46084738 CHAJOSREPNROEZ-PYCFMQQDSA-N 372.852 4.634 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 219804349 TYOHRJKOHRVZLA-OAHLLOKOSA-N 368.502 4.745 30 40 FJEB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 225682050 IEVQKFWSSJMOPA-UHFFFAOYSA-N 352.409 4.547 30 40 FJEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 409108727 XKFDTNBDMMLLBH-VXLYETTFSA-N 374.809 4.833 30 40 FJEB Fc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1N1CCOCC1 409130176 INCVUZBBRIVTFT-NHDPSOOVSA-N 353.224 4.720 30 40 FJEB Cc1ccc(OCc2nc(C#N)c(NCc3ccccc3Cl)o2)cc1 934550 CHKPWYGKQOJFDP-UHFFFAOYSA-N 353.809 4.699 30 40 FJEB CC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1 1051291 DODYXZXPYQESOM-QGMBQPNBSA-N 367.630 4.517 30 40 FJEB C(=N/n1cnnc1)\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 3182432 UIDONHIHZMWVHF-CVKSISIWSA-N 363.424 4.771 30 40 FJEB N#CCCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 6532474 BITIZPMCEDZHHN-UHFFFAOYSA-N 358.854 4.636 30 40 FJEB CCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OC 8811860 DHOBVHUOJOPZMM-KEBDBYFISA-N 353.249 4.524 30 40 FJEB N#Cc1ccccc1-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12 9585134 IWFAADDNOVLJQM-UHFFFAOYSA-N 365.436 4.679 30 40 FJEB Cc1ccccc1-n1c(C)cc(/C=N/NC(=S)Nc2ccccc2)c1C 28217513 BZVDHLQKMXMEJS-HYARGMPZSA-N 362.502 4.723 30 40 FJEB Cc1nc(N)c(C#N)c(-c2cccc(Br)c2)c1-c1ccccc1 35342903 HUEGASWADRUNSU-UHFFFAOYSA-N 364.246 4.940 30 40 FJEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3C)cc1OC 100128244 WRMUJTZBRFYZLU-OAHLLOKOSA-N 362.429 4.623 30 40 FJEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO)NC(=O)CCC 108380981 UCBLGIBMIAFISC-VLDWQCDLSA-N 369.590 4.882 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C 408710274 VNFQTOKWZNWMQR-RTBURBONSA-N 352.563 4.718 30 40 FJEB N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 409328935 ASTUTWQJSJBTOU-DHDCSXOGSA-N 356.859 4.617 30 40 FJEB CCOc1cc(Br)cc(/C=N/c2cc(C)cc(C)c2O)c1O 1230768 NRVPEHVMUINYAB-DJKKODMXSA-N 364.239 4.626 30 40 FJEB N#Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4141328 RAKZIIFUUFXYFT-JTHBVZDNSA-N 351.409 4.801 30 40 FJEB CCc1c(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)oc2ccc(C)cc12 7716393 GKJYEYRBYPZCKS-BQYQJAHWSA-N 366.413 4.923 30 40 FJEB C=C[C@@H](C/C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 16926641 PBVVVCSDMBFICK-QIQQCEGHSA-N 354.366 4.651 30 40 FJEB CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCCC1 225830729 SZMUTUDTNNOJFZ-UHFFFAOYSA-N 358.482 4.661 30 40 FJEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccccn2)=C(O)C1 5260975 QTFNTMNGSJRXPW-UHFFFAOYSA-N 369.461 4.568 30 40 FJEB COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3)c2)cc1 6381901 TXGZLPZRBVMMSR-XNTDXEJSSA-N 358.393 4.811 30 40 FJEB O=[N+]([O-])c1cc(/C=N/Nc2ccccn2)ccc1Oc1ccccc1Cl 7994055 BCAYSXIZYCUCJY-CIAFOILYSA-N 368.780 4.882 30 40 FJEB O=C(O)c1cccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c1 16545413 OWUDGUNBNDBXHA-JAIQZWGSSA-N 363.398 4.701 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3F)nc2cc1C 34791524 ZMIKQYVPVRADHI-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccn1 41482020 OMSVNTNNSXISTQ-IBGZPJMESA-N 365.392 4.894 30 40 FJEB COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1 408873757 WUAQKRCKSHKQIS-SXGWCWSVSA-N 358.850 4.549 30 40 FJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)c(C)c1 408932773 DXEUTVYYCZCAJX-YDZHTSKRSA-N 362.429 4.645 30 40 FJEB CCC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3OC)c2C#N)C1 680097 KKIKPUZLHJHFHF-CYBMUJFWSA-N 354.475 4.786 30 40 FJEB COc1ccc(C(=O)/C=C/S/C(=N/C#N)SCc2ccccc2)cc1 2380087 KXNAAUVAEPAIAK-BPYFUBPNSA-N 368.483 4.895 30 40 FJEB N#Cc1ccc(COC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 3255235 QRWRHJZRVWQGJI-UHFFFAOYSA-N 361.372 4.633 30 40 FJEB N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(Cl)s1 4476395 IMVBMXSCTLLLQD-FAVSCLIXSA-N 370.905 4.934 30 40 FJEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccc(Cl)cc2)c1 5863326 YUAQHRKZCMXRBJ-UHFFFAOYSA-N 358.894 4.996 30 40 FJEB C=CCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 8090795 BVVDZXCSNXQBHI-UHFFFAOYSA-N 363.273 4.914 30 40 FJEB Cc1cccnc1OC1CCN(CC(O)=Nc2sc(C)c(C)c2C)CC1 330260334 SNWNPDYLIITPTL-UHFFFAOYSA-N 373.522 4.508 30 40 FJEB O=C(Nc1ccccc1)OCCN=C1c2ccccc2CCc2ccccc21 1643733 BNKRAYJCOSIRNW-UHFFFAOYSA-N 370.452 4.871 30 40 FJEB COc1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)ccc1O 7716115 FTDMHPKQSISNHB-ZZXKWVIFSA-N 373.202 4.806 30 40 FJEB N#CCSc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 8188584 WDLRBFDUTRMKQP-UHFFFAOYSA-N 351.456 4.678 30 40 FJEB C=CCn1cnnc1SCc1cc(-c2ccc(Cl)cc2Cl)no1 22988348 TVYMZQHTXSVSEF-UHFFFAOYSA-N 367.261 4.718 30 40 FJEB Fc1cc(Br)cc(F)c1OC(F)(F)[C@H](F)C(F)(F)F 2575684 QSAUPLUHLMXWHD-SSDOTTSWSA-N 359.010 4.599 30 40 FJEB CCC(C(=O)Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F 3124620 GYBHDIAEVOSJSP-UHFFFAOYSA-N 351.649 4.939 30 40 FJEB biogenic Cc1nc(/C(O)=N/c2ccc3nsnc3c2)cc2c1[nH]c1ccccc12 4351390 RSUMUSFQDRKNRW-UHFFFAOYSA-N 359.414 4.666 30 40 FJEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 5517417 LJZUUNLBUZNFCM-INIZCTEOSA-N 361.228 4.504 30 40 FJEB C=CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 8554742 DZFUTOBFHOCJQA-UHFFFAOYSA-N 352.217 4.576 30 40 FJEB Cc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 19682520 OUXSONRGLMKDOJ-NLRVBDNBSA-N 367.496 4.717 30 40 FJEB CC(C)(C)[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1cccs1 44520359 TVLMKWMLFZFJPT-SFHVURJKSA-N 358.532 4.757 30 40 FJEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc([N+](=O)[O-])cc1C 409239274 MKKHGIGVOHSMDB-KGENOOAVSA-N 353.422 4.653 30 40 FJEB COc1ccccc1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 5573938 GZDQECQPQQTPNS-FOKLQQMPSA-N 360.442 4.813 30 40 FJEB C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 75609908 JRPDKDFQXOHRIK-NSHDSACASA-N 359.307 4.767 30 40 FJEB N#Cc1c2c(c(-c3ccccc3Cl)n(Cc3ccco3)c1=O)CCCC2 95117568 YNDKJIYCVDIFOB-UHFFFAOYSA-N 364.832 4.560 30 40 FJEB N#CCCSc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 95953492 LEXTUWSSJJSNKA-UHFFFAOYSA-N 364.392 4.892 30 40 FJEB COc1cccc(-n2c(C)cc(/C=N\OCc3ccccc3C#N)c2C)c1 408597164 XTOJCKMFRULXOJ-OYKKKHCWSA-N 359.429 4.525 30 40 FJEB O=C(NCc1ccco1)c1c(/N=C/c2ccsc2)sc2c1CCCC2 408988805 SICDGUGKPCNBIB-UFFVCSGVSA-N 370.499 4.962 30 40 FJEB C[C@@H]1C[C@H](N[C@H](CCCC#N)c2ccccc2)CN(Cc2ccccc2)C1 552083360 ACVYQSVRHTVDDG-FGCOXFRFSA-N 361.533 4.922 30 40 FJEB C/C(=N\NC(=S)Nc1c(C)cccc1C)c1ccccc1OC(F)F 4872025 BRZBEIWEUZSNKD-LPYMAVHISA-N 363.433 4.615 30 40 FJEB N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccc(-c2ccccc2)cc1 4909923 AZHSHDQCVZPDAU-UHFFFAOYSA-N 364.832 4.679 30 40 FJEB COc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2Cl)cc1OC 5558893 PMPWKQCJKQOSKW-BQYQJAHWSA-N 352.217 4.819 30 40 FJEB N#Cc1ccc(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)cc1 8215841 NPBKMDUCSWXAHF-UHFFFAOYSA-N 370.437 4.838 30 40 FJEB N#Cc1cccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)c1 32845888 XDKJJUBFVAPNQM-JOCHJYFZSA-N 352.393 4.824 30 40 FJEB CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 59105815 WDUYYJIUKRYGKV-GZTJUZNOSA-N 356.422 4.505 30 40 FJEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1F 107635054 MIIWBWZUVQYZSV-CSKARUKUSA-N 352.178 4.926 30 40 FJEB C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 2573708 JWLZILSXRBYLTR-IFKAHUTRSA-N 367.492 4.881 30 40 FJEB CCc1cccc(C)c1NC(=O)CON=C1c2ccccc2-c2ccccc21 3314139 RUSPSNZHHPDBRG-UHFFFAOYSA-N 370.452 4.946 30 40 FJEB Cc1ccc(C(=O)CSc2nc(O)cc(-c3ccccc3)c2C#N)c(C)c1 8934387 FYDYTAQBMLLOEP-UHFFFAOYSA-N 374.465 4.918 30 40 FJEB COc1cccc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3o2)c1 9420698 LPPMRPSKHUWDJG-PDGQHHTCSA-N 356.381 4.655 30 40 FJEB CCOc1ccc(/N=C2/N=C(O)S/C2=C\c2ccc(OC)cc2)cc1 18181266 BGJHEGUAQJXQPJ-ATVHPVEESA-N 354.431 4.826 30 40 FJEB CN(C)[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1cccs1 27793366 AKVGXCSOELJPMS-HNNXBMFYSA-N 372.881 4.643 30 40 FJEB COc1ccc(C(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1 34791594 CYBVIGWLSYAUGC-UHFFFAOYSA-N 362.454 4.707 30 40 FJEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409081870 QPMNRIPMCQRTKT-AUWJEWJLSA-N 362.212 4.889 30 40 FJEB C=CCOc1ccc(Br)cc1/C=C1\Cc2ccccc2C1=O 409370637 COGXUVNEBXCEMG-RVDMUPIBSA-N 355.231 4.836 30 40 FJEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 2566975 XCRSRXRAHKRVSS-OWOJBTEDSA-N 351.168 4.781 30 40 FJEB O=C1c2ccccc2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 3140360 RTWWEQAKLLFRRJ-ZVHZXABRSA-N 350.377 4.623 30 40 FJEB Cc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4n3C)c2)cc1 7343414 PEGBULKMYMFMKA-BUVRLJJBSA-N 370.456 4.907 30 40 FJEB C=CCCCC(=O)CCC[C@H](C)OC(=O)c1c(C=C)cc(OC)cc1OC 65740831 QWDNEGNCWJHTQE-INIZCTEOSA-N 374.477 4.988 30 40 FJEB in-vitro C=C1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 1250165 HAXTUDYYZJROKR-ZEQRLZLVSA-N 366.484 4.971 30 40 FJEB Cc1c(/N=C/c2cc(Cl)cc(Br)c2O)cccc1C(=O)O 3190890 IBGQUUZUYQHMEM-CNHKJKLMSA-N 368.614 4.565 30 40 FJEB CC/N=C1\S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CC 5552136 INDORDWZXMQIAX-PDFVYNHPSA-N 360.866 4.912 30 40 FJEB C=C(Br)Cn1c(COc2cccc(OC)c2)nc2ccccc21 40234499 SLZINEZDFHNLAG-UHFFFAOYSA-N 373.250 4.533 30 40 FJEB COc1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)c([N+](=O)[O-])c1 408918336 JJBPLFDJRQBPFT-UFFVCSGVSA-N 365.345 4.696 30 40 FJEB CCOC(=O)[C@@H](C#N)[C@H](c1ccc(Cl)cc1)c1c(C)[nH]c2ccccc12 1463356 PVJKDIOOVIGMKS-PXNSSMCTSA-N 366.848 4.965 30 40 FJEB N#Cc1ccc(-c2ccc(OC(=O)CCC(=O)c3cccs3)cc2)cc1 3247346 AEAOCOJEPNKCJH-UHFFFAOYSA-N 361.422 4.855 30 40 FJEB CNc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 6247605 FGQUBNXHTRANME-XVNBXDOJSA-N 351.189 4.839 30 40 FJEB COc1ccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)cc1 10118951 DMGXMCNBLMQVAL-ZVHZXABRSA-N 367.880 4.880 30 40 FJEB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Cl)c(C#N)c1 32859883 JOKIZGPBOGJJRF-UHFFFAOYSA-N 353.834 4.896 30 40 FJEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1Cc1ccccc1Cl 225854248 PTENYBUNHVKJTE-UHFFFAOYSA-N 356.256 4.888 30 40 FJEB CCOc1cc(Cl)c(/C=N/OCc2ccccc2C#N)cc1OCC 408596076 PENRRDKEECTCLM-WSDLNYQXSA-N 358.825 4.560 30 40 FJEB CCc1ccc(N=C2NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)S2)cc1 408759521 GMCSOZRRERFUFF-UNOMPAQXSA-N 361.470 4.930 30 40 FJEB CC[C@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 2737454 FIVJDFNZIPBUKD-LBPRGKRZSA-N 358.894 4.969 30 40 FJEB C=CCn1c(SCc2cc(-c3ccco3)on2)nnc1-c1ccccc1 7731334 GZHKRRGLWXJLPK-UHFFFAOYSA-N 364.430 4.671 30 40 FJEB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 40156546 BFUMAYLRANENDZ-RHSMWYFYSA-N 362.429 4.769 30 40 FJEB Cc1ccc(OCCC(=O)Nc2ccccc2SCCC#N)c(C)c1 95953405 XCGIGZUSGNQFBS-UHFFFAOYSA-N 354.475 4.717 30 40 FJEB CCn1c(=O)c(/C=N/c2cc(Cl)ccc2Cl)c(O)c2ccccc21 100192836 YFZCKKBTPBJPHL-UFFVCSGVSA-N 361.228 4.784 30 40 FJEB C=CCCCCCCCCC(=O)Nc1c(C)[nH]n(-c2ccccc2)c1=O 2057732 BXYDAACUJNGSKM-UHFFFAOYSA-N 355.482 4.719 30 40 FJEB N#CCCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 4405133 DPZBSQSVKKKZAO-UHFFFAOYSA-N 356.401 4.608 30 40 FJEB COc1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)c1 4696374 IEUZFDVEWZRSKC-WQRHYEAKSA-N 352.459 4.512 30 40 FJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2Cl)NC(=O)N1 5787377 JWBDQYMDFVQNBU-INIZCTEOSA-N 361.228 4.504 30 40 FJEB Cc1c(CCC#N)c(NC2CCCCC2)n2c(nc3ccccc32)c1C#N 6275628 WWDYOVUXZBOJMX-UHFFFAOYSA-N 357.461 4.868 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1OC 8368484 BFETZESBFMRBLZ-CIAFOILYSA-N 372.262 4.837 30 40 FJEB CCN(CC)c1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1 13639985 URLHBHOHIWKGAE-QFIPXVFZSA-N 374.488 4.760 30 40 FJEB Cc1ccc(/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 31844625 WKMNJMZXTZBDPA-NHDPSOOVSA-N 361.426 4.671 30 40 FJEB N#Cc1c(NC(=O)COC2CCCCC2)sc2c1-c1ccccc1CC2 89857664 BWFLWMFDLBHGGB-UHFFFAOYSA-N 366.486 4.673 30 40 FJEB Cc1nc(NC(=O)OC(C)(C)C)sc1-c1ccnc(C(C)(C)C#N)c1 95629724 XAKDQQFCQUBXRA-UHFFFAOYSA-N 358.467 4.662 30 40 FJEB CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)c(C#N)c1 225856942 KDXYZPYOFDMQEZ-UHFFFAOYSA-N 358.482 4.661 30 40 FJEB COC(=O)COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1 408819042 XVNQFZWADRQNEG-HAHDFKILSA-N 361.397 4.781 30 40 FJEB O=C1ON(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 1680117 DFVAZIHCZQJIBG-LJQANCHMSA-N 361.357 4.672 30 40 FJEB CC[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 2737455 FIVJDFNZIPBUKD-GFCCVEGCSA-N 358.894 4.969 30 40 FJEB CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3c4c(cccc24)CC3)c1O 254704693 PGWXEYCOQRWYRG-UHFFFAOYSA-N 362.385 4.702 30 40 FJEB CCCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OCC 408905938 GKWURSSFDREBFZ-YRNVUSSQSA-N 370.445 4.787 30 40 FJEB O=C1C(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)c2ccccc21 4170678 QTBNOAAQEIDUTG-UHFFFAOYSA-N 358.368 4.867 30 40 FJEB CCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1O 4363649 ZIKOCONNFCFGEI-UDWIEESQSA-N 353.447 4.669 30 40 FJEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccccc1 6720082 NHGKSPUVEUWDDC-FQEVSTJZSA-N 373.383 4.609 30 40 FJEB COc1ccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)cc1 8811688 UBMURIKXJGIFAW-ZVHZXABRSA-N 367.880 4.880 30 40 FJEB C=CC[C@H]1Cc2c(Br)ccc(Br)c2[C@H](CC=C)N1 22418754 PWYXIEYQBHGUIV-HZMBPMFUSA-N 371.116 4.919 30 40 FJEB CCCCN1C(=O)/C(=N/c2sc3c(c2C#N)CCCC3)c2ccccc21 409389048 OPCYYDLFFSGWAP-FCDQGJHFSA-N 363.486 4.766 30 40 FJEB Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1 4849076 YPIOWUQRNNRWID-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB Cc1cc(OCc2ccc(/C=C/C(=O)c3cnn(C)c3)o2)cc(C)c1Cl 6922080 SZMYPVDBPFMFQH-VOTSOKGWSA-N 370.836 4.758 30 40 FJEB C=CCn1c(SCC(=O)c2cccc(Cl)c2)nnc1-c1ccoc1C 13985181 ZGLDQSVPQVILJM-UHFFFAOYSA-N 373.865 4.661 30 40 FJEB CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1 33407172 LBWBXBATWYAAST-YWKYIXQJSA-N 367.430 4.609 30 40 FJEB Cc1ccc(NC[C@@H](O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 95117277 CARWMYFSNAPMBL-GOSISDBHSA-N 372.468 4.526 30 40 FJEB COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cccc2ccccc12 408934475 BABFUWOUJFVWES-UDWIEESQSA-N 373.408 4.744 30 40 FJEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)o1 408960018 IAKMAFJJUOFGSP-JAIQZWGSSA-N 350.330 4.612 30 40 FJEB Cc1nc(Cl)nc(NCc2ccccc2)c1/C=N/Cc1ccccc1 3093376 WNSAARHJPPHCOW-HYARGMPZSA-N 350.853 4.670 30 40 FJEB C=CCn1c(COc2ccccc2)nnc1SCc1c(F)cccc1F 5478090 KCYOUJGQFZDNJE-UHFFFAOYSA-N 373.428 4.614 30 40 FJEB CC/C(=N\Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1O 5504642 HUMDNQLRMNAYPM-XMHGGMMESA-N 354.193 4.833 30 40 FJEB CCCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OC 8811861 MTOMXKCUMLRANY-SRZZPIQSSA-N 367.276 4.915 30 40 FJEB N#Cc1cc(Br)ccc1OCc1ccc(Br)cc1 11948294 TYJLHSLMUAWKET-UHFFFAOYSA-N 367.040 4.662 30 40 FJEB Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccccc1OC(F)F 48309477 AUBUOEQEWQHXIF-OUKQBFOZSA-N 368.383 4.987 30 40 FJEB O=C1/C(=C\c2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)Oc2ccccc21 96766953 FJAZYDKJXAFRRS-JOLWTXHASA-N 370.404 4.858 30 40 FJEB C=C(C)COc1cccc(C(=O)NCCSCc2cccc(C)c2)c1 219779156 SUAAAPFZSMGRGN-UHFFFAOYSA-N 355.503 4.613 30 40 FJEB CCN1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2[C@@H](C)CC1(C)C 223527254 DYZRRMABYFXMRD-OFJBCHTGSA-N 367.453 4.548 30 40 FJEB COc1ccc(C2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)cc1 225853071 UUCTWWQOYUZWAS-UHFFFAOYSA-N 365.502 4.517 30 40 FJEB COC(=O)c1ccc(Cn2cc(/C=N/Nc3ccccc3)c3ccccc32)o1 409392136 LIZVFWYRLRPILZ-YDZHTSKRSA-N 373.412 4.515 30 40 FJEB CCC[N+]1(CC#C[C@](O)(c2ccccc2)C2CCCCC2)CCCCC1 1766914 WYWXDUIHDMWKHW-DEOSSOPVSA-N 354.558 4.869 30 40 FJEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3ccccc3Cl)ccc21 5249769 GKZJOLULEGFDEY-JAIQZWGSSA-N 363.800 4.930 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2c1C 4849131 AJYLUVBRRCWYHL-UHFFFAOYSA-N 350.418 4.837 30 40 FJEB CCn1c(/N=C/c2c(O)ccc3cc([N+](=O)[O-])ccc23)nc2ccccc21 5728172 GBPJRZCMHAMEOY-CIAFOILYSA-N 360.373 4.574 30 40 FJEB C=CCOc1ccccc1/C=C1\SC(Nc2ccc(CC)cc2)=NC1=O 6870997 VUBPDAHNIWQXMZ-RGEXLXHISA-N 364.470 4.896 30 40 FJEB Cc1[nH]c2ccccc2c1CCNC1=CC(=O)C[C@H](c2ccc(F)cc2)C1 8770231 IYKQPTJOOAEKQC-QGZVFWFLSA-N 362.448 4.778 30 40 FJEB Cc1nn(-c2ccccc2)c2nc(O)c(C#N)c(-c3ccc(Cl)cc3)c12 17945156 MARBKPRNFHTLSU-UHFFFAOYSA-N 360.804 4.627 30 40 FJEB C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2Nc2ccc(C#N)cc2)[C@@H]1C 20146209 DOLAWJXGFDDMGH-ZPGKAZOCSA-N 363.505 4.834 30 40 FJEB CCCCCCCC(=O)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 59211780 NLORBDHLZOFWKF-KRWDZBQOSA-N 362.436 4.766 30 40 FJEB COc1ccc2cc([C@H](C)C(=O)N(CC#N)Cc3ccccc3)ccc2c1 59876956 AGUJPYRXQMWZPG-KRWDZBQOSA-N 358.441 4.504 30 40 FJEB C=CCn1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c2ccccc21 84290751 PRJGVLHDAKEPSI-UHFFFAOYSA-N 368.440 4.845 30 40 FJEB C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)cc1 225490130 ZJMWUKKHAWAURH-IBGZPJMESA-N 356.491 4.698 30 40 FJEB O=C(ON=C(Cc1ccccc1)C(F)(F)F)C(Cl)=C(Cl)Cl 255004218 ULIRDFNSLLXOIL-UHFFFAOYSA-N 360.546 4.576 30 40 FJEB CCOc1cccc(/N=C\c2cc(Br)c(Br)o2)c1 408956077 ZWOQBXOMWJZNSU-PXNMLYILSA-N 373.044 4.954 30 40 FJEB Cn1c2ccccc2c2cc(/C=N/NC(=S)Nc3ccccc3)ccc21 1085661 QTSIAQGIWPHQSS-HYARGMPZSA-N 358.470 4.652 30 40 FJEB C(=N/c1ccc(N2CCOCC2)cc1)\c1cccc(OCc2ccccc2)c1 4607862 UJBKOTBAFZXAOE-XIEYBQDHSA-N 372.468 4.853 30 40 FJEB Cc1cc(C)c(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 6684054 HCISTFZLACXROZ-ZVBGSRNCSA-N 351.328 4.985 30 40 FJEB C=CCc1cc(OC)ccc1OCCCN1CCCC[C@H]1c1cccnc1 8744519 KBPNRRMEVUKGDM-QFIPXVFZSA-N 366.505 4.815 30 40 FJEB biogenic CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc(C)cc3)o2)nc1C#N 8844483 HNKIARIHGBKOJZ-CQSZACIVSA-N 351.406 4.904 30 40 FJEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCC3CCCC3)cc21 8959524 MRDZOEULTRJZAM-UHFFFAOYSA-N 370.493 4.533 30 40 FJEB C(#Cc1cccs1)c1cccc(NCc2nc(-c3cccs3)no2)c1 12545278 MCNJCNHVZMZQEM-UHFFFAOYSA-N 363.467 4.872 30 40 FJEB C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccccc1OCC 13325742 YODFZRXCAOOXOK-UHFFFAOYSA-N 369.465 4.961 30 40 FJEB CC(C)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 24135453 GHEXAGVAICZVGU-KRWDZBQOSA-N 362.473 4.640 30 40 FJEB N#Cc1ccc(N2CC[C@@H](COCc3ccccc3)C2)c(C(F)(F)F)c1 95962012 PHDRSFMOSZRNMM-QGZVFWFLSA-N 360.379 4.620 30 40 FJEB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(CC#N)cc1)CC(C)(C)O2 225673657 PZHGGGKGUOCSHI-SFHVURJKSA-N 365.502 4.650 30 40 FJEB S=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1 824990 SCQMNQQJYIULTR-UDWIEESQSA-N 355.850 4.921 30 40 FJEB C=C(C)COc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1 2107945 DSYVPRXUVIITHC-UHFFFAOYSA-N 352.386 4.857 30 40 FJEB biogenic Cc1ccc(Cn2cc(-c3cccc(C(F)(F)F)c3)cc(C#N)c2=O)cc1 3133661 MNBWYLGWCURQEM-UHFFFAOYSA-N 368.358 4.763 30 40 FJEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\C=C\c1ccco1 12465109 ZARAEZZHTKGELK-PQBFDXQXSA-N 365.245 4.681 30 40 FJEB Cc1cccc(C)c1NC(=S)N/N=C/c1c(Cl)cccc1Cl 13878630 AQKZEEVMXFZKIY-DJKKODMXSA-N 352.290 4.931 30 40 FJEB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 16004792 YXMGQOXWUJRXRY-UHFFFAOYSA-N 374.893 4.948 30 40 FJEB CC(C)(C)OC(=O)N1C(C)(C)C=C(B2OC(C)(C)C(C)(C)O2)CC1(C)C 382677721 ZICQZQLJFOYFNK-UHFFFAOYSA-N 365.323 4.742 30 40 FJEB CC[C@@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl 408593345 PILLANHITZUZCH-AYPRBGQRSA-N 362.813 4.976 30 40 FJEB Cc1ccc(C(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 711388 VBYDJWDYHMJVDV-UHFFFAOYSA-N 350.365 4.564 30 40 FJEB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C#N)C1 4628388 BEAHKPKMMJEUEF-XYPHTWIQSA-N 350.487 4.877 30 40 FJEB O[C@](C#CCN1CC[C@@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 4806656 ZKEKBMWWMAZJKJ-ZEQKJWHPSA-N 373.540 4.947 30 40 FJEB Cc1ccn2cc(-c3cccc(/N=C/c4ccc([N+](=O)[O-])cc4)c3)nc2c1 4815632 WCVYRRSILMFBRC-LPYMAVHISA-N 356.385 4.969 30 40 FJEB N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 6526265 ADYHKWDILWQMHD-UHFFFAOYSA-N 355.608 4.536 30 40 FJEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)c1 6531232 MNXSXYUSFDXSGO-UHFFFAOYSA-N 361.470 4.676 30 40 FJEB Cc1cc(/C=C/C(=O)c2ccc(NC3=NCCCS3)cc2)cc(C)c1O 7587265 BBMLFHSJOKMBLE-RUDMXATFSA-N 366.486 4.810 30 40 FJEB N#Cc1cccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c1 20195586 GQPOKVUPKXZWTP-UHFFFAOYSA-N 361.257 4.942 30 40 FJEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(CC)CC)o3)S2)cc1 408753950 LHOVNAMCQWRHNP-LGMDPLHJSA-N 369.490 4.580 30 40 FJEB C=CCc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc(OCC)c1O 408930763 BTGBWSPHWLWCHR-FMCGGJTJSA-N 364.367 4.984 30 40 FJEB CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H](C)C#N 5312866 ODWCXTBCCBFJGK-GFCCVEGCSA-N 364.902 4.876 30 40 FJEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)cc1 5531858 KLGYTFIPJWOFPI-UNOMPAQXSA-N 366.486 4.921 30 40 FJEB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc3ccccc3n2CCC#N)c1 12602498 GZDDSGHADPXDLR-MRXNPFEDSA-N 363.486 4.930 30 40 FJEB O/C(CN1CCCCCC1)=N\c1nc2ccc(Br)cc2s1 19891657 SBVZQAJLSANKSK-UHFFFAOYSA-N 368.300 4.523 30 40 FJEB Cc1cc(C(=O)Nc2ccc(OCC#N)cc2)c(C)n1C1CCCCC1 24714583 BUYIUMWMYMRERE-UHFFFAOYSA-N 351.450 4.765 30 40 FJEB CCCCCCCC[C@H]1O[C@@H]1CCCCCCCCOC[C@H](O)CO 104049783 CIIHZROFUPCXTE-NJDAHSKKSA-N 358.563 4.605 30 40 FJEB C#CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 216895211 JWMWYZZQBBWQJX-RMKNXTFCSA-N 361.224 4.762 30 40 FJEB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225827798 UJIWCVBITXNSEB-OAQYLSRUSA-N 360.498 4.907 30 40 FJEB CC(C)(C)c1ccc(NC(=O)COc2nc(C(C)(C)C)ccc2C#N)cc1 1644025388 JVUZHOSDCQRQMR-UHFFFAOYSA-N 365.477 4.566 30 40 FJEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N(C)c1ccccc1 2646638 YBMVNBAYTDIKQJ-QGZVFWFLSA-N 356.425 4.656 30 40 FJEB COc1ccc(OC)c(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1 4922856 GHDDCHRDPKKJKB-ZVBGSRNCSA-N 358.747 4.822 30 40 FJEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 13653655 OGYADIVVARRNRC-NTCPEWOASA-N 363.413 4.700 30 40 FJEB Cc1ccsc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2cc3c(cc21)OCO3 18197416 NCIRQNDPBLNCIQ-SFHVURJKSA-N 367.470 4.986 30 40 FJEB CC(C)c1ccc(/C=N\NC(=S)N/N=C/c2ccc(C(C)C)cc2)cc1 33364719 XAUYIGRFODJXMP-BQGZOASHSA-N 366.534 4.766 30 40 FJEB COc1ccc(C(=O)CN2C[C@H](C)S/C2=N/c2ccc(Cl)cc2)cc1 61695582 VFSSVXURXKYQDA-XROMVWTOSA-N 374.893 4.656 30 40 FJEB CC(=O)Nc1ccc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cc1 96402508 BEWMTCBEXFLAFN-LGMDPLHJSA-N 374.465 4.981 30 40 FJEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3ccc(O)c(O)c3)cs1)C2 100098177 KCSUPFVUZDVRDD-KAPSFWSUSA-N 357.479 4.835 30 40 FJEB N#C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1nc2ccccc2[nH]1 4262762 OOSUTQWGEDOFBB-LPYMAVHISA-N 364.623 4.863 30 40 FJEB C=C(C)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 4339999 ZQKCAWUBKKUXCM-UHFFFAOYSA-N 360.365 4.521 30 40 FJEB biogenic CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 5444137 WOCWNBLCPAYTAF-SFHVURJKSA-N 369.848 4.574 30 40 FJEB Cc1ccc(Oc2ccccc2NC(=O)COc2ccccc2C#N)cc1 7763937 YBQFNHVERYXACB-UHFFFAOYSA-N 358.397 4.677 30 40 FJEB Cc1cccc(NC(=O)CSc2nc(C)cc(-c3ccccc3)c2C#N)c1 11990829 DGEJFMUYLACSHW-UHFFFAOYSA-N 373.481 4.968 30 40 FJEB COc1ccc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)c(OC)c1OC 12809472 JWPLUPCHQVYPPI-XYOKQWHBSA-N 370.445 4.643 30 40 FJEB O/C(=N\c1nc(CN2CCCCCC2)cs1)C(F)(F)c1ccccc1 40141745 BLWQJAWIPNDVRT-UHFFFAOYSA-N 365.449 4.899 30 40 FJEB Cc1cc(-c2ccccc2)sc1C(=O)/C=C1\Nc2ccccc2NC1=O 100109113 NETOQIXHYRJWBI-ATVHPVEESA-N 360.438 4.854 30 40 FJEB Cc1ccc(-n2c(C)cc(/C=N\OCc3cccc([N+](=O)[O-])c3)c2C)cc1 408595229 WBGMFPNLZGWHOJ-XKZIYDEJSA-N 363.417 4.861 30 40 FJEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(C(=O)O)c2)cc1OC 409383472 YMJQZBMPKZGLQM-OVMKCGGTSA-N 361.825 4.975 30 40 FJEB CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccc(Cl)cc1 4785615 PDXUOEFQCPXMIV-KVMVOAJRSA-N 356.944 4.508 30 40 FJEB O=[N+]([O-])c1ccc(CO/N=C(\c2ccccn2)[C@@H]2C[C@@H]2c2ccccc2)cc1 5684915 CGFJLRZHILVUBX-QCYQASIVSA-N 373.412 4.714 30 40 FJEB COc1ccc(/C(=N/C(=S)NC2CCCCC2)Nc2ccccc2)cc1 26504987 GYVNUUSMJXQMBQ-UHFFFAOYSA-N 367.518 4.761 30 40 FJEB C=C(C)COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=N\O)C[C@H]12 100132786 YQICTZDGXWUAOK-GGQOFQNBSA-N 353.462 4.507 30 40 FJEB in-vitro COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408737751 GIFRESXPHFNCMC-YDZHTSKRSA-N 350.393 4.770 30 40 FJEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)ccc1O 408758702 PKDHJKWJJAHJCK-UYRXBGFRSA-N 364.470 4.575 30 40 FJEB Cc1cc(C(=O)O)ccc1N/C=C/C(=O)c1ccc(Cl)c(Cl)c1 409181232 ZYKNFFVSTZTQBU-VOTSOKGWSA-N 350.201 4.809 30 40 FJEB N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)cc2Cl)cc1 504265220 NOPAWVUHJHIMMT-SOLBZPMBSA-N 368.820 4.510 30 40 FJEB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 3771898 JWLZILSXRBYLTR-PCWWUVHHSA-N 367.492 4.881 30 40 FJEB Cc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)c1 3904178 XNLFSKRWIYTGSO-HXUWFJFHSA-N 369.464 4.933 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 4385032 JPOUWZNGAPHHJZ-HNNXBMFYSA-N 365.864 4.786 30 40 FJEB Cc1occc1-c1nnc(SCc2cccc(C#N)c2)n1-c1ccccc1 6039341 GGBILQJVEZQSTK-UHFFFAOYSA-N 372.453 5.000 30 40 FJEB C#CCOc1ccc(CNc2ccccc2Cl)cc1Br 6295408 CLBPIKRDYFLYLU-UHFFFAOYSA-N 350.643 4.727 30 40 FJEB Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C\c1ccc(Cl)cc1 13553075 NTCGKDFEOMGGGM-WNSZDWCQSA-N 371.893 4.502 30 40 FJEB C=CC[n+]1c(-c2ccccc2)csc1Nc1ccc(NC(C)=O)cc1 26570118 LSNXJTWBQSRGAO-UHFFFAOYSA-O 350.467 4.591 30 40 FJEB CC[C@H](C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083807000 NLBLPHYMYZAQRJ-YFKPBYRVSA-N 356.175 4.905 30 40 FJEB Cc1ccc(N2C(=O)CS/C2=N\C(=O)Nc2ccc(Cl)cc2)c(C)c1 4472479 JREHIGYSEHUPNA-UZYVYHOESA-N 373.865 4.625 30 40 FJEB Cc1nc(S[C@H](C)c2nnc(-c3ccc(F)cc3)o2)c(C#N)c(C)c1C 6980729 VHUNPYQNJMYEFX-CYBMUJFWSA-N 368.437 4.921 30 40 FJEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)Sc1ccccc1N2 7449661 SZJNLCJJLAOXLU-HXUWFJFHSA-N 351.427 4.681 30 40 FJEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 14132322 BURPLJWCIWSJAX-UDWIEESQSA-N 370.433 4.948 30 40 FJEB Cc1c(Cl)cccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 113857830 SDUWXALITWNHJN-REZTVBANSA-N 369.602 4.775 30 40 FJEB Cc1sc(NC(=O)/C=C/c2ccc(Br)cc2)c(C#N)c1C 994167 XCEWMNCLMWYMFJ-VMPITWQZSA-N 361.264 4.651 30 40 FJEB N#C[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1 1647925 BSXCMSZGKZFGJP-JOCHJYFZSA-N 356.425 4.995 30 40 FJEB C/C(=N\Nc1nc(-c2ccccn2)nc2ccccc12)c1ccc(F)cc1 5025483 BSQSGHILEQBYIQ-VULFUBBASA-N 357.392 4.667 30 40 FJEB N#Cc1ccc(/C=C/c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 5266865 XFZFKVMNJRRLEW-ZHACJKMWSA-N 355.422 4.694 30 40 FJEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1 5463768 MWJHKCZLOUVYSE-PDGQHHTCSA-N 352.459 4.710 30 40 FJEB Cc1ccc(/C(=N\Cc2ccccc2)NC(=S)NC2CCCCC2)cc1 5928047 WRZXQDWKASDULF-UHFFFAOYSA-N 365.546 4.739 30 40 FJEB CCN(CCC#N)c1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(C)c1 8344187 JEOIIIIEQVNUTO-XDHOZWIPSA-N 365.864 4.881 30 40 FJEB Cc1nn(-c2ccccc2)cc1/C=C/C(=O)c1cccc(Br)c1 95115909 ZTHWSMWFDWYZEB-ZHACJKMWSA-N 367.246 4.839 30 40 FJEB O=C(Nc1cc(Cl)cc(Cl)c1)O[C@@H]1C[C@@H]2CC[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 101021539 GNZAXJFAMVXBKI-FEYWFGSVSA-N 368.260 4.744 30 40 FJEB C=CCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)c(Cl)c2)c1 226322239 YBDUOICSGQRSNP-UHFFFAOYSA-N 367.228 4.924 30 40 FJEB C=CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409124034 IUPCQNZYWQOFFA-QGOAFFKASA-N 357.475 4.868 30 40 FJEB N#Cc1cccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1848350310 VLRVPFJRWHZGFY-UHFFFAOYSA-N 365.195 4.795 30 40 FJEB S=C(N/N=C/c1cccc2ccccc12)NC12CC3CC(CC(C3)C1)C2 5048259 NPLOBFVLHXMWQL-OEAKJJBVSA-N 363.530 4.607 30 40 FJEB Cc1ccc(N(CCC#N)C(=O)COc2ccc(Cl)cc2Cl)cc1 5870310 KNLDGEUZURDRQU-UHFFFAOYSA-N 363.244 4.628 30 40 FJEB CCOc1ccc(/C=C/c2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1 8323924 ABNKVVBDJZUQMC-KPKJPENVSA-N 363.392 4.867 30 40 FJEB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(C#N)cc1 17306847 OURJBGRWTRDWKL-UHFFFAOYSA-N 351.793 4.680 30 40 FJEB C=CCn1c(SCc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1 42108456 KBUOXNPIHOBOGK-UHFFFAOYSA-N 366.446 4.640 30 40 FJEB CCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 101473469 QMNBCCSIFYWXGS-UHFFFAOYSA-N 352.196 4.900 30 40 FJEB Oc1ccc(/C=N\c2ccc3ccccc3c2)cc1I 408903959 BRVDFHQRRDRQPK-ODLFYWEKSA-N 373.193 4.901 30 40 FJEB O=C(c1cc(Br)ccc1F)C(F)(F)C(F)(F)C(F)(F)F 575362405 KQSFQJZAYQADOJ-UHFFFAOYSA-N 371.021 4.604 30 40 FJEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC(=O)O 4179273 WKFMVHDIGGPGSE-UHFFFAOYSA-N 352.440 4.525 30 40 FJEB COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c(OC)c1OC 7743476 YNRQJDXDCIZOBV-XBXARRHUSA-N 367.228 4.915 30 40 FJEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2\C[C@H]3C=CC[C@@H]23)c1 8936525 OOLPSPFENZMUGE-CLIMZUAFSA-N 359.804 4.597 30 40 FJEB N#Cc1ccccc1-c1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1 22416288 PZPYUZYFMRAQBR-UHFFFAOYSA-N 371.827 4.637 30 40 FJEB COc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1O 95934652 QVDREVJYIZBBGO-QBFSEMIESA-N 360.409 4.876 30 40 FJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@@]21C 118923387 DKDMFHJMQAAUII-RMCJSFOLSA-N 362.485 4.788 30 40 FJEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccccc1O 408749434 ONEMFPPTYPTXLO-VGOFMYFVSA-N 365.241 4.591 30 40 FJEB CC(C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408932365 WFGHPSGCYWRHJG-HYARGMPZSA-N 358.869 4.714 30 40 FJEB F[C@@H](C(F)(F)F)[C@](F)(Oc1ccc(Br)cc1)C(F)(F)F 627280225 DAPZTXZPQZYDEY-SFYZADRCSA-N 373.037 4.956 30 40 FJEB CC(C)Cc1nc(C#N)c(N/N=C/c2ccc(OCc3ccccc3)cc2)o1 5977029 JULAAYACWHGUCC-ZVHZXABRSA-N 374.444 4.770 30 40 FJEB CC(C)(C)c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 12381699 UZZFQTRSDCSHAA-KQWNVCNZSA-N 355.913 4.794 30 40 FJEB N#Cc1cc([N+](=O)[O-])cnc1N[C@H](c1ccccc1)c1ccc(Cl)cc1 32806396 BVJKAVWZGCPMIW-GOSISDBHSA-N 364.792 4.716 30 40 FJEB C[C@H](NC/C(O)=N/C1(C#N)CCCCC1)c1ccc(Cl)cc1Cl 32832318 LMTODGSWFBBOBF-LBPRGKRZSA-N 354.281 4.827 30 40 FJEB CC(=O)Nc1ccc(/N=C2/c3ccccc3-c3ccc(NC(C)=O)cc32)cc1 104261964 JZGWSAUNDDJCIE-RWEWTDSWSA-N 369.424 4.753 30 40 FJEB N#Cc1c(-c2ccc(OCc3cccc(F)c3)cc2)c2c([nH]c1=N)CCCC2 408980980 UPTBOLBKFKBDHT-UHFFFAOYSA-N 373.431 4.630 30 40 FJEB C#CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1OC 409112015 BHUATSMAVRGTOL-UHFFFAOYSA-N 374.278 4.699 30 40 FJEB COc1ccc(Br)cc1/C=N/c1ccccc1Br 1433955 NLZWEUUAOLDEQL-RQZCQDPDSA-N 369.056 4.971 30 40 FJEB N#CCc1c(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c2ccccc12 1633580 GWAZUEMNSNAMFP-UHFFFAOYSA-N 372.449 4.611 30 40 FJEB O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1cccc([N+](=O)[O-])c1 1680124 KTNRRBCMGRKMIA-LJQANCHMSA-N 361.357 4.672 30 40 FJEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 6400851 RUQZMKPBBKAHSA-JTQLQIEISA-N 368.742 4.636 30 40 FJEB COc1ccc(OC)c(/C(C)=N/Nc2ccnc3cc(Cl)ccc23)c1 12562153 LKLFSFPMCCGVPL-WSDLNYQXSA-N 355.825 4.742 30 40 FJEB C=CCOc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 32786758 KPKHPASZSFVHBN-UHFFFAOYSA-N 360.457 4.753 30 40 FJEB CC(C)(C)/N=C1\[C@H](N2CCCC2)C2(CCCCC2)C(=O)N1c1ccccc1 33435805 JCPZINYTUYPURU-YVTHNELYSA-N 367.537 4.645 30 40 FJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1 36358324 DXXKQCLKWVNMGF-CQSZACIVSA-N 366.783 4.660 30 40 FJEB CCCCCCCOc1cccc(CNCCc2nncn2C(C)C)c1 101190035 YFMGIELYEGJDSM-UHFFFAOYSA-N 358.530 4.541 30 40 FJEB Cc1ccc(-c2nnc(S)n2N=Cc2ccc(Cl)cc2Cl)cc1 253617007 UMGRSATZPFCQOP-UHFFFAOYSA-N 363.273 4.731 30 40 FJEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(SC)cc3)S2)cc1 408754612 GLDYGBMLDVRTBK-ATVHPVEESA-N 354.500 4.863 30 40 FJEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccccc1-c1ccccc1 408927533 PXNDFFZKXGXIHZ-FLFQWRMESA-N 359.425 4.978 30 40 FJEB CC(=O)c1sc(NC(=O)CSc2ccc(Cl)cc2)c(C#N)c1C 409114749 IKSAPKNUWRIUSP-UHFFFAOYSA-N 364.879 4.515 30 40 FJEB CN(/N=C/c1ccccc1)C(c1ccccc1)N(C)/N=C/c1ccccc1 1694284 OTAJGECFDSUQPP-SIHVKLMXSA-N 356.473 4.617 30 40 FJEB CCCCCCCCCCCNC(=O)c1c(O)c2ccccc2n(C)c1=O 2056434 LWYBUTKZIJLHLC-UHFFFAOYSA-N 372.509 4.505 30 40 FJEB CCOc1ccc(-n2c(SCC#N)nnc2-c2cccc(Cl)c2)cc1 6365755 NMCUFUXFRLQITN-UHFFFAOYSA-N 370.865 4.602 30 40 FJEB Cc1ccc(N/C(=N/N=C/c2nc3ccccc3[nH]2)c2ccccc2)cc1 6908778 CUFUZAIOZTZJIM-HZHRSRAPSA-N 353.429 4.764 30 40 FJEB CC(C)(CO)/N=C1\C=CC2=N[C@@]34CCCC[C@H]3CC3=C(CCCC3)N4C2=C1 16034663 PMYKIAMZZBNQCU-IKABDDMGSA-N 365.521 4.527 30 40 FJEB COc1cc(Nc2c(C#N)cnc3ccc(Cl)cc23)cc(OC)c1OC 16840728 NNCGMBWDUSKGFK-UHFFFAOYSA-N 369.808 4.529 30 40 FJEB N#Cc1c(Cc2cccc3ccccc23)nn(Cc2ccccc2Cl)c1N 225839551 PXAPXYAJOZWDLL-UHFFFAOYSA-N 372.859 4.783 30 40 FJEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226327173 FZGAFNNTEBUPJI-UHFFFAOYSA-N 367.228 4.924 30 40 FJEB Cc1ccc(/C=N/N=C2/SCC(=O)N2Cc2cccc3ccccc23)cc1 2284401 JUNRIFHPDAKSLP-BXBPIDJQSA-N 373.481 4.614 30 40 FJEB CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 4904516 OSXNECNAZOIBEG-FDJFIASXSA-N 365.502 4.548 30 40 FJEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2s1 8996066 DXRYSYQJGFDWHN-RGVLZGJSSA-N 367.865 4.890 30 40 FJEB CCN(CC)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9195846 AUWJZHWZMSKLNT-CIAFOILYSA-N 350.293 4.963 30 40 FJEB C=C(C)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O 12878084 ORTVGEAFTVKRGJ-PWKYRQDESA-N 360.409 4.965 30 40 FJEB biogenic Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1F 84081329 LRYLKSMIHXAVQC-MRXNPFEDSA-N 372.403 4.600 30 40 FJEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Br)cc1)C2 100006230 VXYHEEIGJJGNHL-UJINQUNPSA-N 350.256 4.808 30 40 FJEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccsc2)C(=O)C1 100025479 MZIDXLNHAAQXHZ-QGZVFWFLSA-N 374.502 4.607 30 40 FJEB C#CCOC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccccc12 226360627 BSKAMXMKBFYHMA-UHFFFAOYSA-N 363.416 4.944 30 40 FJEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1cccs1 970019 OLQNHWHZBVJLHO-SFHVURJKSA-N 361.422 4.531 30 40 FJEB N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1ccco1 2426594 UXVSLFSSHYXCCA-UHFFFAOYSA-N 371.396 4.997 30 40 FJEB N#Cc1cccnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 12920015 IPOCYBKNKYOMOK-UHFFFAOYSA-N 354.866 4.600 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(-c2ccccc2)cc1 18196083 ZRPMCVSPSUBJND-OAQYLSRUSA-N 370.456 4.603 30 40 FJEB COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O 38361137 SWINGKITYJCQFU-SMSCYPBYSA-N 372.877 4.891 30 40 FJEB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(CC#N)cc2)cc1 225498470 LZMNIRFUCUQQOZ-HXUWFJFHSA-N 367.518 4.835 30 40 FJEB CCCSc1nc(-c2ccccc2)c(C(=O)C(F)(F)F)cc1C#N 3167238 NINFMPMXGWNQCQ-UHFFFAOYSA-N 350.365 4.867 30 40 FJEB CCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 17075138 JBDGJSKLYGSPKG-VYADPRQXSA-N 365.502 4.767 30 40 FJEB CC(C)OC(=O)OCSc1ccccc1/N=C/c1cccc([N+](=O)[O-])c1 18023334 DDFTYKYCPZDQDP-YBFXNURJSA-N 374.418 4.957 30 40 FJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2C)C(=O)N1C 38361083 GYWVPDANGIPHOO-NFYBBCHUSA-N 366.486 4.800 30 40 FJEB CCOc1cccc(/C=N/c2ccccc2OCC(F)(F)C(F)F)c1O 100222757 QIPGTUUEWNFZDE-AUEPDCJTSA-N 371.330 4.821 30 40 FJEB C=CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1 100252997 XNNWZCSDDIEDNV-KQAARNMGSA-N 363.486 4.543 30 40 FJEB O=C1C2=C(N=C3CCCC(O)=C3[C@H]2c2ccc3c(c2)OCO3)c2ccccc21 104163275 FSHWZMDWMDWSIS-LJQANCHMSA-N 371.392 4.557 30 40 FJEB CN(C)c1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(N(C)C)cc2)cc1 114207155 JLNWRDOLIIJBPC-RFYMSPFYSA-N 362.473 4.556 30 40 FJEB CCCCOc1ccc2ccccc2c1/C=N/N1C(=O)c2ccccc2C1=O 409010741 KVWIWOXCYJKZLG-BUVRLJJBSA-N 372.424 4.649 30 40 FJEB N#Cc1c2nc3ccccc3nc2n2c3ccccc3n(Cc3ccccc3)c12 948776 ZVBFCMWHDUNPSP-UHFFFAOYSA-N 373.419 4.910 30 40 FJEB Cc1ccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)cc1 4607055 FEBMJCQALMBEDL-NTCAYCPXSA-N 363.420 4.736 30 40 FJEB CCc1ccccc1/N=C(\NC(=S)N1CCCCC1)c1ccccc1 6135432 WYKIQPDUAAOCIG-UHFFFAOYSA-N 351.519 4.688 30 40 FJEB COc1ccc(OC)c(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c1 12861683 XHGQZSKBTUZPJZ-MTJSOVHGSA-N 366.413 4.665 30 40 FJEB biogenic COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C\C=C\N(C)C)C[C@@H]12 18067914 OZHKGIPTPIFKOA-WLYSSSMZSA-N 365.517 4.732 30 40 FJEB C=CCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cn1 225934745 MYUAXKACMCLRDH-UHFFFAOYSA-N 358.441 4.591 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1cc(C)ccc1C 408905832 FJKWOBFOSBUWFB-NFYBBCHUSA-N 366.486 4.936 30 40 FJEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1cccc([N+](=O)[O-])c1 408921527 AMQLQEAJHMXFCK-UDWIEESQSA-N 352.419 4.863 30 40 FJEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O 409164701 MJMDLNLKUXUMHK-PXNMLYILSA-N 372.808 4.587 30 40 FJEB COc1ccccc1/C=C1/S/C(=N\c2cc(C)ccc2C)N(C)C1=O 1007933 IEAPJRDJSONUGF-KDWIEBRMSA-N 352.459 4.546 30 40 FJEB CC1=C(c2ccc(C)cc2)N(N(c2ccccc2)c2ccccc2)C(=O)C1=O 2077693 QXAXALANYYLSHB-UHFFFAOYSA-N 368.436 4.891 30 40 FJEB CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 4029605 RDKWTBULQNEFPV-SSPYTLHUSA-N 368.541 4.718 30 40 FJEB biogenic Cc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1ccccc1 15011741 QTDBAHFMTAMGMZ-XSFVSMFZSA-N 373.481 4.986 30 40 FJEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(F)cc1Br)C2 39881075 AZKXBBBYDKHVRT-PIGZYNQJSA-N 352.247 4.909 30 40 FJEB CCCCCCCCOc1ccc(C(=O)O[C@H]2C(=O)OCC2(C)C)cc1 59608651 BGLWOTFHYXURLQ-SFHVURJKSA-N 362.466 4.534 30 40 FJEB C=C1[C@H](C)[C@@]23CCO[C@H](c4ccc(N5CCCC5)cc4OC)[C@H]2C[C@@H]1C3 257276873 NVMHXKLWOHDCBF-DHAYUYHGSA-N 353.506 4.975 30 40 FJEB N#CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(C(F)(F)F)c1 1396836 WCWHIMPJSRNIBH-QGZVFWFLSA-N 359.351 4.750 30 40 FJEB Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc(N2CCOCC2)cc1 3192607 CYZFKHNPSYOEJE-XIEYBQDHSA-N 372.468 4.570 30 40 FJEB COc1ccc(/C(Cc2nc3ccccc3[nH]2)=N/Nc2ccccc2)cc1 6024906 VBCNXPODXHCOHW-YYADALCUSA-N 356.429 4.630 30 40 FJEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccccc1C 6743891 NBJALNLJPBCIQC-UHFFFAOYSA-N 362.433 4.574 30 40 FJEB CCCCNc1oc(-c2ccc(COc3ccc(C)cc3)o2)nc1C#N 8844482 KKBKGZHMHGTTPB-UHFFFAOYSA-N 351.406 4.906 30 40 FJEB N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1N1CCCC1 33324459 FXGLDPGRMMVRDE-UHFFFAOYSA-N 369.808 4.639 30 40 FJEB COc1ccc([C@@H]2C[C@]2(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 51330273 KFYFXOTZECSPIN-KBXCAEBGSA-N 361.228 4.638 30 40 FJEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 59427119 DGKQPXMIRBJZQE-LPYMAVHISA-N 361.401 4.956 30 40 FJEB C=CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408572746 RXOBGDUDKYDHKE-MRXNPFEDSA-N 356.809 4.795 30 40 FJEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccc(Cl)c1 409298126 NNOTVXXLRDYKSL-UHFFFAOYSA-N 365.864 4.980 30 40 FJEB N#C[C@@H](C(=O)c1ccccc1F)c1nc2cc(C(F)(F)F)ccc2s1 6567845 DTKHNGDZAJKRLV-NSHDSACASA-N 364.323 4.944 30 40 FJEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)[C@@H]1C(=O)c3ccccc3C1=N2 19831938 JRXSRKAFTLYWSY-ICSRJNTNSA-N 361.828 4.746 30 40 FJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)c(C)c1 59459399 LWKLJINYPKJIIS-SXGWCWSVSA-N 358.850 4.554 30 40 FJEB C=CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 225578644 UWAZPLCHPOLKMF-SFHVURJKSA-N 368.502 4.840 30 40 FJEB C=CCNC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 408626336 WPTYYLXMNZNCLJ-UHFFFAOYSA-N 370.408 4.754 30 40 FJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)c1 408965395 GVQLHSCTNPBSRE-OEAKJJBVSA-N 362.429 4.727 30 40 FJEB COc1ccc(C2=C(Nc3ccccc3OC)c3ccccc3C2=O)cc1 6793503 PWXMYQKYQGHWCR-UHFFFAOYSA-N 357.409 4.881 30 40 FJEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NC1CC1 12418918 ZFHSLBHCUSKUIA-UHFFFAOYSA-N 355.781 4.613 30 40 FJEB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(CC#N)cc3)c12 12778721 VBNXQHXGXBEWBR-UHFFFAOYSA-N 374.425 4.578 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)COc1ccc(Br)cc1 72265784 UNAMITOBDAYPBG-UHFFFAOYSA-N 355.047 4.661 30 40 FJEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 5289614 PYMVRGIHMPZCBS-XDHOZWIPSA-N 356.382 4.637 30 40 FJEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 9013105 RFWQQFDKVNCOBY-HXUWFJFHSA-N 363.457 4.845 30 40 FJEB C=CCN1C(=O)COc2ccc(NC(=O)C3CCC(CCCC)CC3)cc21 12350304 HZMQAVKGNOSRQK-UHFFFAOYSA-N 370.493 4.533 30 40 FJEB O=C1/C(=C/c2cccc3cccnc23)COc2ccc(Br)cc21 25043718 ZGUSEFKQDCXLMI-NTEUORMPSA-N 366.214 4.656 30 40 FJEB C=CC/N=c1/scc(-c2ccc(OC)cc2OC)n1/N=C/C(CC)CC 103460834 QQFZBVWIPFWCFW-MOUWUNSVSA-N 373.522 4.591 30 40 FJEB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931310 OXHFKWFVXTYEGN-ODIOEEMWSA-N 374.565 4.514 30 40 FJEB CCn1c2ccccc2c2cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)ccc21 408910534 KSNFXXFGSSVDRK-UUYOSTAYSA-N 359.389 4.564 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1C 408913329 SVAWVIVJAWQQHO-KDWIEBRMSA-N 352.459 4.546 30 40 FJEB Cc1cc(N/N=C/c2cccc3ccccc23)c2cc3c(cc2n1)OCO3 5552555 JHOUTUHUTPZCOR-FSJBWODESA-N 355.397 4.871 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(C)c(C)c3)=NC2=O)cc1 5852920 HHXGGVKMVGXVDF-CPNJWEJPSA-N 364.470 4.951 30 40 FJEB COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1OC 7741906 FJUVAVJTFIMAFE-VMPITWQZSA-N 367.228 4.915 30 40 FJEB C[C@@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccc(F)cc1 12517368 JRMDJRBGQMEYRZ-ONOODXEBSA-N 361.420 4.585 30 40 FJEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc2cccc(C)c2nc1Cl 28922938 OPNLHDWHLGXPCP-FQEVSTJZSA-N 363.848 4.949 30 40 FJEB N#CCSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1 44085404 HPUHBOCSMAKSJF-UHFFFAOYSA-N 374.263 4.570 30 40 FJEB COc1ccc(-c2cnc(SCC#N)n2-c2ccc(Cl)cc2)cc1 44087505 AYJJMTDIPWLAJJ-UHFFFAOYSA-N 355.850 4.817 30 40 FJEB N#CC1(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)CCCC1 65056832 VDHXLRYCFCRWBZ-UHFFFAOYSA-N 359.404 4.607 30 40 FJEB FC(F)(Br)CC(Br)(C(F)(F)F)C(F)(F)F 100034139 HWOPXXXEAPFMBD-UHFFFAOYSA-N 373.863 4.623 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 106707004 RILQLRNBEQAAHY-UYRXBGFRSA-N 365.454 4.796 30 40 FJEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Cl)cc1 409286627 ZGBXILRRLYDCSC-UHFFFAOYSA-N 365.864 4.980 30 40 FJEB O=C(c1ccc(Br)c(C(F)(F)F)c1)C(F)(F)C(F)(F)F 575243030 HBCPHXJTAACLPW-UHFFFAOYSA-N 371.021 4.848 30 40 FJEB COCc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)cccc2C)cc1C#N 1616042665 NAULLTARCZBDIJ-HXUWFJFHSA-N 363.461 4.691 30 40 FJEB CC(=O)/C(=C/n1c(=S)sc2ccccc21)C(=O)Nc1ccccc1 1637636 QJJQHGPBHSLVTP-KAMYIIQDSA-N 354.456 4.501 30 40 FJEB N#Cc1ccc(/C=N/c2ccc(O)c(/N=C/c3ccc(C#N)cc3)c2)cc1 3236635 CYPJNKHAYMDNLH-LVSXPEEVSA-N 350.381 4.637 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1 6747525 RPFMATWXXSIZLY-UHFFFAOYSA-N 365.404 4.826 30 40 FJEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCc3ccccc3)ccc21 9576096 WQSRKRAABGWYIY-JJFYIABZSA-N 372.376 4.611 30 40 FJEB CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1Br 13810780 CTDWICHSJBKYQU-YBEGLDIGSA-N 374.259 4.632 30 40 FJEB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)cc1 18702112 IYQGZBVTQSKTDD-UHFFFAOYSA-N 361.367 4.676 30 40 FJEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1OC 32114953 NNYZQFUZAMIAQG-CIAFOILYSA-N 360.841 4.934 30 40 FJEB C=CCc1cc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)cc(OCC)c1O 59302065 XKYSHPGCAVECSU-WSDLNYQXSA-N 373.836 4.710 30 40 FJEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 1772492285 QLMXZKMIBONXSF-OMEJVGOCSA-N 354.490 4.926 30 40 FJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 4033387 IUXXWSLIUJFAJE-GOSISDBHSA-N 359.473 4.750 30 40 FJEB Cc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c(C)c1 4125282 QBGUDNGNENLHKB-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CCCN1C/C(=C/c2cccc(F)c2)C(=O)/C(=C/c2cccc(F)c2)C1 12411110 BEDXYXKXQYTSNI-OMYAATJGSA-N 353.412 4.727 30 40 FJEB CCOc1ccc2ncc(C#N)c(Nc3ccc(OC)c(Cl)c3)c2c1 17315665 RFHWYQBJCGFHHD-UHFFFAOYSA-N 353.809 4.911 30 40 FJEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCOc1ccccc1 20530002 SWLAIBJALYHMEK-UHFFFAOYSA-N 374.465 4.518 30 40 FJEB CCNc1c(N/C(O)=N/c2ccc(C)c(Cl)c2)c(=O)oc2ccccc12 28048725 WIXKTXZSDHWDAH-UHFFFAOYSA-N 371.824 4.844 30 40 FJEB CC(C)CCOc1ccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 34864635 GPJSDQOIZAXDCF-YCRREMRBSA-N 355.390 4.621 30 40 FJEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1 225067187 ZZJCUQAAUCMIRB-UHFFFAOYSA-N 367.470 4.620 30 40 FJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C#N)c3ccccc32)o1 226361886 KRRCXATYFDNFQB-UHFFFAOYSA-N 371.352 4.678 30 40 FJEB Cc1ccc(Cl)cc1N=Cc1cc([N+](=O)[O-])cc(Br)c1O 254860416 LTRMZJHAQRPXOP-UHFFFAOYSA-N 369.602 4.775 30 40 FJEB CCOc1ccc(-c2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)o2)cc1 408589166 DDUKVIJUIOVCGV-FYJGNVAPSA-N 366.373 4.804 30 40 FJEB N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 409174321 RXHUAXGNCDWLBB-VIZOYTHASA-N 374.849 4.757 30 40 FJEB Cc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Br 575362190 MMOHMYPLSZNPAH-UHFFFAOYSA-N 367.058 4.773 30 40 FJEB Cc1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1C 717336 LTVSRSIRECRYDN-UHFFFAOYSA-N 365.396 4.573 30 40 FJEB CCCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N\c1ccccc1 1014540 QZSCFBFGVKUVRA-PTPABZONSA-N 352.459 4.709 30 40 FJEB S=c1[nH]nc(C2CCCCC2)n1/N=C\c1cccc(Br)c1 1475366 LKQFXUSTJXHWFW-YVLHZVERSA-N 365.300 4.633 30 40 FJEB Cc1ccccc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl 2329188 NLHKNCZHBLGEBI-OCKHKDLRSA-N 363.273 4.731 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@H]2c1cccs1 5190708 LFOSWUCUUYCPSD-SFHVURJKSA-N 368.458 4.668 30 40 FJEB CC(C)(C)C1CCC(=Nn2cnc3sc4c(c3c2=O)CCCC4)CC1 5976477 AIDXRDSQLPPKJH-UHFFFAOYSA-N 357.523 4.777 30 40 FJEB C=CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)cc1 7939532 XPAYRHMMDDPHRH-UXBLZVDNSA-N 373.246 4.919 30 40 FJEB N#Cc1cc2c(nc1SCCCC(=O)c1ccccc1)CCCCC2 12959522 FBPBFDPYHHRFCV-UHFFFAOYSA-N 350.487 4.977 30 40 FJEB COc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1O 33414709 QVDREVJYIZBBGO-ACCUITESSA-N 360.409 4.876 30 40 FJEB N#Cc1ccc(-c2ccn(CN(C3CC3)[C@H]3CCc4ccccc43)n2)cc1 69921199 VRCWYLPMSSVORP-QHCPKHFHSA-N 354.457 4.531 30 40 FJEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2cn3ccccc3c2C#N)n1 84076953 GMEKHNXBAOMMSJ-UHFFFAOYSA-N 372.375 4.697 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C2/CCC[C@@H]([C@@H]3C[C@@H]4CC[C@@H]3C4)C2)c([N+](=O)[O-])c1 101646172 WTOSTGMJQPXDNC-WOAVVAAJSA-N 372.425 4.897 30 40 FJEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccc(C(F)(F)F)c1 408967250 UBWNZSWXTSSJGE-NTEUORMPSA-N 366.339 4.736 30 40 FJEB N#Cc1cccc(CNC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c1 573865186 GZRTYOFSYXKVTD-UHFFFAOYSA-N 368.849 4.657 30 40 FJEB C[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)N1C[C@H](C)C[C@@H](C)C1 1775965132 VPZWYPXRNUGSRE-KFWWJZLASA-N 372.900 4.645 30 40 FJEB O=C(/C=C/c1ccccc1)c1ccc(-n2nncc2-c2ccccc2)cc1 5258383 JEBUNUCRERYUKY-LFIBNONCSA-N 351.409 4.830 30 40 FJEB CC(C)c1ccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3Cl)S2)cc1 5807933 MQAPAJAGYKLYPK-QGZVFWFLSA-N 358.894 4.925 30 40 FJEB Cc1cc(C)c2c(c1)/C(=N/NC(=S)Nc1ccc(Cl)cc1)CCC2 6049344 ZWMRRMUWCYPEJC-RELWKKBWSA-N 357.910 4.984 30 40 FJEB COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2ccc(C#N)cc2)cc1 8344989 GPKKOEYOIVGWGN-NCSHYYEOSA-N 360.457 4.724 30 40 FJEB FC(F)(F)c1ccc(N2CCOCC2)c(/N=C/c2ccc(Cl)cc2)c1 102957938 GYDWQQKYNJGHFF-FSJBWODESA-N 368.786 4.946 30 40 FJEB C=CCSc1ccccc1C(=O)NCc1ccc(N(CC)CC)cc1 224548384 DWGDDICAHKQPBU-UHFFFAOYSA-N 354.519 4.741 30 40 FJEB COc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1 408857061 KNPKINWMHMTPCK-MOSHPQCFSA-N 355.235 4.999 30 40 FJEB Cc1ccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 408910420 KFAVRGXAIYNBMG-HMAPJEAMSA-N 361.401 4.928 30 40 FJEB CCCCCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 1580374 QLWRCOPOVYGVGG-UHFFFAOYSA-N 363.483 4.776 30 40 FJEB C=CC/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C(\C)c1ccccn1 5846072 YQRWAYSGEBIOKT-ABLXZICASA-N 368.893 4.624 30 40 FJEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1O 8109759 AMUGRUWCBBYRAH-FYJGNVAPSA-N 364.357 4.852 30 40 FJEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccco1 9419327 BCKLJJBDNDNRRO-ZDLGFXPLSA-N 366.756 4.768 30 40 FJEB N#Cc1c(CSc2nnc(C3CC3)n2-c2ccccc2)cn2ccccc12 12543543 FIXVBUARVLMHTM-UHFFFAOYSA-N 371.469 4.561 30 40 FJEB CCN(Cc1ccccc1)c1nc(SC)nc(-c2ccccc2)c1C#N 19820806 QEIPCGXORGVJEN-UHFFFAOYSA-N 360.486 4.764 30 40 FJEB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 66088917 FZFLSHLTHQEGKP-LJQANCHMSA-N 367.489 4.632 30 40 FJEB N#Cc1cc(Br)ccc1NC[C@@H](c1ccco1)N1CCCCC1 95398710 WEVDZXULKJXBRC-KRWDZBQOSA-N 374.282 4.553 30 40 FJEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccccc1C 103848063 UCZHHFXJUXHYPS-GRSHGNNSSA-N 364.239 4.543 30 40 FJEB COc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)c2ccccc23)ccc1O 104171224 DWYMHALUOYUEEF-IBGZPJMESA-N 373.408 4.543 30 40 FJEB CCN(/C=C1\C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)CC 118917960 QIWHTHRIASTAHD-YEZZEHMWSA-N 371.565 4.715 30 40 FJEB Cc1ccccc1CSCCCNC(=S)Nc1ccc(CC#N)cc1 225600573 OCLVEZMKYLMWLN-UHFFFAOYSA-N 369.559 4.671 30 40 FJEB Cc1c(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)sc2nccn12 333817450 IFPNIDVMLAAIEA-ZJUUUORDSA-N 370.503 4.576 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C)c2)C1=O 408531141 MGYMYLKQAYOPHA-QGOAFFKASA-N 367.495 4.966 30 40 FJEB N#Cc1ccccc1CO/N=C/c1cccc(OCc2ccccc2F)c1 408596079 PEQQARGWLDFACP-AFUMVMLFSA-N 360.388 4.827 30 40 FJEB C#CCOc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1 2366982 SYNDZXUYFSNSEX-UHFFFAOYSA-N 367.408 4.758 30 40 FJEB COc1ccc2[nH]cc(/C=C/C(=O)c3ccc(Br)cc3)c2c1 4039586 QYYQAGWIUYGFOD-RUDMXATFSA-N 356.219 4.835 30 40 FJEB biogenic Cc1cccc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)c1 4613888 KIKZTEFIKRIYPY-SICBVPCFSA-N 367.518 4.757 30 40 FJEB COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC 5129042 PCXSZAAFTKGDSJ-QPJJXVBHSA-N 367.228 4.915 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 5174168 PNOIAVWVQKATJJ-AQTBWJFISA-N 367.426 4.501 30 40 FJEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3cccc(Cl)c3)ccc21 5219253 USXDVUSLWMNDQZ-JAIQZWGSSA-N 363.800 4.930 30 40 FJEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 5319334 BQNMEUQHRAAWDF-RGVLZGJSSA-N 356.882 4.976 30 40 FJEB C=CCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccoc1C 7172176 XWQHWGMBSQMWBH-CYBMUJFWSA-N 370.434 4.794 30 40 FJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)cc1 408740976 FZORJSMWAFYINB-YDZHTSKRSA-N 350.393 4.770 30 40 FJEB CCc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 409208954 AZJVIBIVWAWCKX-JWGURIENSA-N 365.454 4.767 30 40 FJEB COc1cccc(/C=N/n2c(Nc3ccccc3)nc3ccccc32)c1OC 726776 FEGVEACQHJEONY-HZHRSRAPSA-N 372.428 4.679 30 40 FJEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1ccccn1 924059 QAGFJNWGFXTXEF-QFIPXVFZSA-N 355.441 4.939 30 40 FJEB Cc1ccccc1Cn1nc(C)c(N/C=C/C(=O)c2ccc(F)cc2)c1C 2794381 LYOVLVBJOHOBAB-OUKQBFOZSA-N 363.436 4.804 30 40 FJEB Sc1nnc(-c2ccccc2)n1/N=C\c1cccc(Oc2ccccc2)c1 4679764 CHNDRCISMBGTPO-JCMHNJIXSA-N 372.453 4.908 30 40 FJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1 5588532 KUHURTJFHCQOFN-GDNBJRDFSA-N 373.275 4.649 30 40 FJEB COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)c(C#N)c(=O)[nH]2)cc1 6304208 QEZOYDSLHOKZIS-UHFFFAOYSA-N 371.223 4.896 30 40 FJEB COc1cccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)c1 10039242 MIADJZVZWJIQEI-UZYVYHOESA-N 351.427 4.561 30 40 FJEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 847151 WTNDHOAUXGOPSI-UHFFFAOYSA-N 366.273 4.608 30 40 FJEB O=C(C/C=N/OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)no1 4084961 HBPFOFJOWHBGCN-SRZZPIQSSA-N 354.793 4.770 30 40 FJEB O=C(O/N=C\c1cc(Cl)nc(Cl)c1)c1ccccc1C(F)(F)F 4695233 FEEXRNSPVKXXCJ-SCDVKCJHSA-N 363.122 4.598 30 40 FJEB O=c1oc2ccccc2cc1-c1csc(N/N=C/[C@H]2CC=CCC2)n1 4807588 UGHGKIWJIWQYMO-HSWQHBDASA-N 351.431 4.671 30 40 FJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(-c3nc4ccccc4[nH]3)c2)c1 5179576 BZNQLIUYDFUTGA-CIAFOILYSA-N 358.357 4.594 30 40 FJEB COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 18197675 SVODOUZYRZUOSY-HXUWFJFHSA-N 369.848 4.922 30 40 FJEB C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccs1 32475865 NVEVKXAFRSKZJZ-OAHLLOKOSA-N 362.454 4.690 30 40 FJEB COc1ccc(/C=N\CCCCCC/N=C/c2ccc(OC)cc2)cc1 103299987 SFJWQGWNZNTHEP-QFFDILLMSA-N 352.478 4.802 30 40 FJEB O=C(O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 1098447 OWLBCCHKXAOKQB-UDWIEESQSA-N 369.218 4.689 30 40 FJEB O=C(O)c1cccc(/N=C/c2c(O)c(Br)cc3ccccc23)c1 2770906 MZFFUUVSPOOALW-KEBDBYFISA-N 370.202 4.757 30 40 FJEB C#CCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9196007 LQWNPEQUGVQOBB-SSDVNMTOSA-N 356.256 4.705 30 40 FJEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2cccnc2)S1 26896837 QVPDIVHANCZOPE-MRXNPFEDSA-N 355.484 4.676 30 40 FJEB Cc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(N)n2)cc1 33475177 ZFYLWLCNIVXIMW-UHFFFAOYSA-N 364.246 4.940 30 40 FJEB O/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1 103870302 PVEACFCEUJSMPR-JAIQZWGSSA-N 356.219 4.989 30 40 FJEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1cc(Br)ccc1O 5378158 OEHKZJTULBWYPL-RGVLZGJSSA-N 370.250 4.708 30 40 FJEB C=C(C)COc1ccc(-c2n[nH]cc2Oc2cccc(OC)c2)c(O)c1 13127304 MDTSNORWHQLSLB-UHFFFAOYSA-N 352.390 4.538 30 40 FJEB aggregator CCO[C@@H]1Oc2ccccc2C(=O)/C1=C\C=C1\Sc2ccccc2N1C 28294700 BRPCBVPYADOHDE-DNKSLGSVSA-N 365.454 4.634 30 40 FJEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(SC)cc1 224983918 NDVUTZQYSKMKBA-UHFFFAOYSA-N 367.923 4.752 30 40 FJEB C=CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225578710 YOGAWUCYSTZJQF-SFHVURJKSA-N 368.502 4.840 30 40 FJEB CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC(C)CC1 225857089 AVKRNACMVOEQTN-UHFFFAOYSA-N 372.509 4.907 30 40 FJEB CC(C)/N=C1\S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1C(C)C 409203443 WJLRMEXVKMUAEZ-PXSLEKJFSA-N 356.413 4.795 30 40 FJEB Cn1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)c2ccccc21 5376652 CNALDCYZRSSZCC-LICLKQGHSA-N 367.861 4.723 30 40 FJEB Cc1ccccc1COc1ccc2ccccc2c1/C=N/n1cn[nH]c1=S 6132148 GEMWWWWWGFDJCJ-FSJBWODESA-N 374.469 4.864 30 40 FJEB Cc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1Cl 6215923 LHHRHHWPAPTLME-REZTVBANSA-N 369.602 4.775 30 40 FJEB CCN1/C(=C\C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)Sc2ccccc21 102580351 VPBRMXHXYABQRQ-CBLICJDJSA-N 352.415 4.651 30 40 FJEB Cc1cccc(OCc2nc(C#N)c(NCc3ccccc3Cl)o2)c1 934552 QOOWRFZDDKXKDZ-UHFFFAOYSA-N 353.809 4.699 30 40 FJEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 3346290 JSJHIEFKDNAUNE-UHFFFAOYSA-N 362.816 4.896 30 40 FJEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(CC)cc2)S1 5551583 DDHAYMGAZIHKSL-AQTBWJFISA-N 352.459 4.539 30 40 FJEB N#CCCSc1ccccc1NC(=O)CSc1ccc(F)c(F)c1 95953421 UCBYGJGXKJNMGT-UHFFFAOYSA-N 364.442 4.701 30 40 FJEB CCCCCCCCNCc1cc(Br)c(OC)c(OC)c1 102561763 OTCDWJPQUQIVJZ-UHFFFAOYSA-N 358.320 4.916 30 40 FJEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1)Nc1ccc(F)cc1 408813676 YISOFWIZGKJMGS-CFRMEGHHSA-N 366.367 4.733 30 40 FJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/Cc3ccccc3)c2C)c1 408968135 UKGHMKYDWYGMKY-LFVJCYFKSA-N 360.457 4.890 30 40 FJEB COc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)ccc1C 408988181 HLJJGVFIBVUROJ-WQRHYEAKSA-N 352.459 4.512 30 40 FJEB CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccccc2)C1=O 4936859 IJGWBVHPNOYBOJ-FDJFIASXSA-N 365.502 4.548 30 40 FJEB CCc1ccc(N/C(S)=N/C2CCN(Cc3ccccc3)CC2)cc1 8687478 FFRXGZVWUXIOFC-UHFFFAOYSA-N 353.535 4.611 30 40 FJEB O=[N+]([O-])c1cc(F)ccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 8811456 CMJPSJQDQHGFIM-SSDVNMTOSA-N 373.771 4.771 30 40 FJEB C=C(C)c1ccc(C(C)(C)NC(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1 72238814 FXRPICIYEZISCW-UHFFFAOYSA-N 361.449 4.562 30 40 FJEB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@H](C)C1 225855443 AIOPKCIUQVFBCL-JTSKRJEESA-N 372.509 4.907 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1C 408706625 BAHAQIZLGGJPLJ-UHFFFAOYSA-N 352.906 4.844 30 40 FJEB Cc1cccc(COc2ccc(-c3c4c([nH]c(=N)c3C#N)CCCC4)cc2)c1 408978977 KQHNDELUDCZITE-UHFFFAOYSA-N 369.468 4.799 30 40 FJEB COc1ccc2ccc(OC)c(/C=N/Nc3ccc4ccccc4n3)c2c1 409020133 MAQMFASBXCOHFP-OEAKJJBVSA-N 357.413 4.851 30 40 FJEB COc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1Cl 989579 XKEPWAAVGNDHCK-QGMBQPNBSA-N 354.631 4.876 30 40 FJEB COc1ccc(/C=C/C(=O)C2CC2)cc1CSc1nc2ccccc2[nH]1 2309799 WHYNNNDIYNCTCH-UXBLZVDNSA-N 364.470 4.856 30 40 FJEB CC1=NN([C@@H](C#N)c2ccc(Br)cc2O)[C@H](c2ccccc2)C1 4783676 HFJPDWHCRYIMBR-IRXDYDNUSA-N 370.250 4.542 30 40 FJEB Oc1ccccc1/C=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1 5002835 FTAGIHWNRWFQTE-LFVJCYFKSA-N 366.424 4.962 30 40 FJEB C#CCOc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl 9196812 PHYYVXGURABYAD-UFFVCSGVSA-N 367.663 4.783 30 40 FJEB N#C[C@H](C(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 36278148 DRYBNGLTHOAQDE-SECBINFHSA-N 352.362 4.867 30 40 FJEB O=C(/C=C/c1ccoc1)C(C(=O)c1ccccc1)=C1SCCCS1 68590799 ILISGWGEHMDRNY-BQYQJAHWSA-N 356.468 4.827 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1nnc(SCCC)s1 225264130 SQUABIGARPTFRE-UHFFFAOYSA-N 351.522 4.571 30 40 FJEB CCN(C(=O)C(F)(F)F)c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 226307007 SVDNTAAAVXOVNG-JTQLQIEISA-N 358.429 4.686 30 40 FJEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccccc1C#N 408595292 LXXYFVYXIJLQEY-CVKSISIWSA-N 367.408 4.560 30 40 FJEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C(C)C)cc1 408789849 RZKGPAOLKRDADX-HXUWFJFHSA-N 373.452 4.551 30 40 FJEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\c2ccc3c(c2)OCO3)o1 408915567 XZNGCOWQXUFYAK-JMIUGGIZSA-N 350.330 4.643 30 40 FJEB CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 851665 YHGQLSKXDOZWKB-HZHRSRAPSA-N 358.397 4.615 30 40 FJEB COC(=O)Nc1ccc(SC(F)(F)C(F)(F)OC(F)(F)F)cc1 3111388 BPFUTMWXHUOZQG-UHFFFAOYSA-N 367.242 4.679 30 40 FJEB C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 12543993 MAEKIQGTSTVEBP-OAQYLSRUSA-N 360.413 4.611 30 40 FJEB Cc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)s1 19826411 UZAROBWQIHIHEK-LFVJCYFKSA-N 373.525 4.778 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2cc1C 34791559 UDNSHVFBRQATDS-FZKQIMNGSA-N 367.518 4.510 30 40 FJEB N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccc(Cl)c2)cc1 103452889 DHNUJSOQKWNOCR-NJNXFGOHSA-N 371.827 4.819 30 40 FJEB CCCOc1ccc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc1 408990531 NSOQMJLKDIAAIY-ATVHPVEESA-N 356.422 4.506 30 40 FJEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)c1C 5376644 MDOWKBHLHTUEQL-YBFXNURJSA-N 361.470 4.687 30 40 FJEB COC(=O)c1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1 8811440 NXCNXYRFLKTORE-YDZHTSKRSA-N 368.820 4.510 30 40 FJEB CC(=O)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408959996 HWERTXJUKATEMY-ZVHZXABRSA-N 373.408 4.917 30 40 FJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3C)nc2c1 1354361 OCZJXFMCCQLBDU-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CC(C)(C)c1cc(C#N)c(OC(=O)c2ccc(C(F)(F)F)cc2)c(C#N)c1 1405698 BADGZPODHPWTIU-UHFFFAOYSA-N 372.346 4.965 30 40 FJEB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(OC(F)F)c3)c2C#N)C1 2739434 IPDOUVKZBZMPBR-SNVBAGLBSA-N 362.401 4.598 30 40 FJEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1Cl 4626483 QWLUBTFZXBHWNM-KBXCAEBGSA-N 363.885 4.841 30 40 FJEB COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)c2cccs2)cc1 4852245 NZFFHVQAQDDSIL-JLHYYAGUSA-N 363.438 4.905 30 40 FJEB O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1ccccc1F 15016466 RTYHVQAJALLYFM-ZROIWOOFSA-N 366.339 4.736 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 1203600 HEWVLROLGQKLSF-GDNBJRDFSA-N 361.875 4.987 30 40 FJEB CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C#N 4403843 BELCZLRITOCYFD-BAGYTPMASA-N 353.462 4.659 30 40 FJEB CC/N=c1\scc(-c2ccc(Br)cc2)n1N=C1CCCC1 5863945 NMLUSKNJNSYLNR-VLGSPTGOSA-N 364.312 4.678 30 40 FJEB C=CCSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 6595278 FHULRVLHTFOEOB-UHFFFAOYSA-N 366.467 4.985 30 40 FJEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1 15316964 OGCSRSUYWOHVKX-INIZCTEOSA-N 358.397 4.757 30 40 FJEB CCCCn1nc(C)c2c(C(=O)Nc3ccccc3C#N)cc(C3CC3)nc21 36616489 ZIZAJDBQNCOEIR-UHFFFAOYSA-N 373.460 4.541 30 40 FJEB C#CCn1/c(=N\C(=O)CCC2CCCCC2)sc2cc(C)c(C)cc21 100875943 UUEHDUBPDWRAOH-QURGRASLSA-N 354.519 4.741 30 40 FJEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 224540098 YWMLAJNIRJZVEL-MRXNPFEDSA-N 351.446 4.536 30 40 FJEB C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(NC(C)=O)cc1 377833869 WSLHFAQQHMYLCE-UHFFFAOYSA-N 363.486 4.902 30 40 FJEB C=CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408963457 DJJGZHMRRIJCGP-SSZFMOIBSA-N 372.346 4.600 30 40 FJEB O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccc(F)cc1F 1079603 MOEJLAMXQFFKIC-CYBMUJFWSA-N 359.397 4.554 30 40 FJEB O=C1C=C(c2ccccc2)N(c2ccccc2)C(=O)[C@]1(Cl)c1ccccc1 3120582 RVRVVRYGNWPGQZ-QHCPKHFHSA-N 373.839 4.778 30 40 FJEB N#Cc1c(NC(=O)Cc2ccc(Cl)cc2Cl)sc2c1CCCC2 3395203 DXUGSBOHUGRQQB-UHFFFAOYSA-N 365.285 4.987 30 40 FJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1c[nH]c2ccccc12 5376627 MUUCZFDPMCHZLL-CXUHLZMHSA-N 353.834 4.713 30 40 FJEB CCCCOc1ccc(/C=N\N=C(/S)Nc2ccccc2)cc1OC 12374266 IKJODLNXEHYCCG-ZHZULCJRSA-N 357.479 4.606 30 40 FJEB CCOc1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)ccc1O 19866274 BVNJRWLAORFTIF-UHFFFAOYSA-N 365.820 4.627 30 40 FJEB C=CCSc1ccccc1C(=O)NCCSCc1ccccc1C 219802975 DGYJODPKRBDWDZ-UHFFFAOYSA-N 357.544 4.936 30 40 FJEB CCCOC1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCCCCC1 225852833 USGCSDPKHXAWJF-UHFFFAOYSA-N 358.482 4.804 30 40 FJEB COC(=O)c1cc(/N=C/c2cccc(OC)c2OC(C)C)ccc1Cl 409009346 DLKHVYQVUSWXHV-SRZZPIQSSA-N 361.825 4.673 30 40 FJEB CC(=O)c1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCC3)cc1 788006 DIEQQSAVXVSCBQ-UHFFFAOYSA-N 366.424 4.794 30 40 FJEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 3216421 HGINBATXJACBEE-UHFFFAOYSA-N 353.422 4.993 30 40 FJEB Cc1ccc2occ(/C=N/Nc3nc4c(Cl)cccc4s3)c(=O)c2c1 5618990 CZBSDYOWBSYXJX-DNTJNYDQSA-N 369.833 4.811 30 40 FJEB CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C#N 6761476 BELCZLRITOCYFD-ILWGZMRPSA-N 353.462 4.659 30 40 FJEB CC(C)n1c(SCc2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O 7237060 VJSYENQFMWHKJF-UHFFFAOYSA-N 369.877 4.795 30 40 FJEB Cc1cccc(NC(=O)/C=N/OCc2csc(-c3ccccc3)n2)c1C 8510362 TVOWMVMTEZJBTR-SRZZPIQSSA-N 365.458 4.568 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)[C@@H]2[C@H]([C@H]3C=C[C@H]2C3)C1(F)F 256115891 NGEYGRCDNBGSKG-GOXFSFIGSA-N 358.175 4.546 30 40 FJEB CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)N1CC 408756264 PPAVWUNFRJCWHF-DPBNUBQISA-N 367.518 4.715 30 40 FJEB Cn1c([C@H](C#N)C(=O)c2sc3ccccc3c2Cl)nc2ccccc21 1235409 NWOAKOHSNMYZJJ-GFCCVEGCSA-N 365.845 4.931 30 40 FJEB aggregator Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 1407123 INAAVQFXYSJYJB-UHFFFAOYSA-N 359.337 4.626 30 40 FJEB N#CC1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1C(=O)C12CC3CC(CC(C3)C1)C2 4652940 CGYIQWJSGIIUNY-RLERJZMCSA-N 364.876 4.872 30 40 FJEB S=c1[nH]ncn1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 5522804 DNPKFDJYPLVXEJ-WSDLNYQXSA-N 360.442 4.555 30 40 FJEB N#CCCCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 5939061 RNNOPDBJNLZCST-UHFFFAOYSA-N 354.866 4.984 30 40 FJEB C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccccc2OC)c(O)c1 17781133 MENVPFREXUPMCN-UHFFFAOYSA-N 352.390 4.538 30 40 FJEB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c(C#N)c1 225833116 RAGUOKGYJPPTLW-HRAATJIYSA-N 358.482 4.661 30 40 FJEB COc1cc(-c2nc3ccccn3c2/N=C/c2sccc2C)ccc1O 3899707 ASZZZDACOZFBHK-CIAFOILYSA-N 363.442 4.836 30 40 FJEB C=C(C)CSc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 5033457 UZXWNUBBKNHIDV-UHFFFAOYSA-N 352.550 4.933 30 40 FJEB COc1cccc(-c2csc(/C(C#N)=N\Nc3cccc(Cl)c3)n2)c1 6451266 XZUJSKKBPUNRSO-KQWNVCNZSA-N 368.849 4.812 30 40 FJEB COc1cc(/C=N/N=C(/C)c2ccc3ccccc3c2)cc(OC)c1OC 17023456 FUSJKVOJYARDKE-KZSQTELISA-N 362.429 4.709 30 40 FJEB CCCCCCCC1=NN2C(=N)/C(=C/c3cccs3)C(=O)N=C2S1 33354122 WIGWGIWRBPEWTF-DTIOJQSLSA-N 360.508 4.728 30 40 FJEB CCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 38143713 AIULWNKTYPZYAN-GOSISDBHSA-N 350.499 4.794 30 40 FJEB endogenous,in-man COc1ccc(Cl)cc1/N=C/c1cccn1-c1cccc(C(=O)O)c1 409102147 CSMJSNMFATXLOW-CIAFOILYSA-N 354.793 4.588 30 40 FJEB Cc1cccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1 1354364 NMIOWSGHNRNZFK-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CCCCCCCCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2062178 HRCMKPTYQKIGJA-UHFFFAOYSA-N 371.525 4.954 30 40 FJEB Cc1ccsc1/C=N/c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 4616291 YMACMGUTQVRNDW-UDWIEESQSA-N 374.462 4.747 30 40 FJEB C=CCS/C(=N\C#N)S/C=C/C(=O)c1ccc(Br)cc1 12367646 UAJIBCNDYITYQY-RRYROPAKSA-N 367.293 4.635 30 40 FJEB N#C[C@@H](c1ccc(Br)cc1)N1CCC(c2ccc(Cl)cc2)=N1 44973423 YPJQSOSWGISMAR-KRWDZBQOSA-N 374.669 4.777 30 40 FJEB C=CCNc1nnc(SCc2csc(-c3cccs3)n2)s1 57480380 HBFLIHCPYPZFNX-UHFFFAOYSA-N 352.535 4.613 30 40 FJEB N#Cc1cccc(C(=O)N(CC(F)(F)F)c2cccc(C(F)(F)F)c2)c1 79015426 UNKXROWWKXLSLO-UHFFFAOYSA-N 372.268 4.786 30 40 FJEB COC(=O)c1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 96766959 ZZDLTCXBCRQXTD-FIWMFUAISA-N 370.404 4.873 30 40 FJEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(F)cc1Br)C2 100261740 AZKXBBBYDKHVRT-DIFFPNOSSA-N 352.247 4.909 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1nccs1 100849170 HPTFZIJUWJXBLJ-LPDGQVOVSA-N 361.879 4.587 30 40 FJEB Cc1ccc(/N=c2/c3c(c(C#N)c4[nH]c5ccccc5n24)CCC3)cc1Cl 102515520 FPADIQORPYJSAZ-DAFNUICNSA-N 372.859 4.975 30 40 FJEB COC(=O)c1ccc(C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)F)c1 642887092 LQDDKVLYMRFVRO-UHFFFAOYSA-N 372.158 4.781 30 40 FJEB O=C(CO/N=C/c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 5467153 HRFXUCDJSNZPDT-OEAKJJBVSA-N 364.832 4.996 30 40 FJEB C=CCNC(=S)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 7659763 JQSLWLAACLTZSB-INIZCTEOSA-N 369.921 4.603 30 40 FJEB O=[N+]([O-])c1cc(Cl)cc(/C=N\c2ccc(N3CCCCC3)cc2)c1O 16428167 ITRHSIOLGCQXJK-NDENLUEZSA-N 359.813 4.695 30 40 FJEB CC(/C=C\c1ccccc1)=C/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13407644 IYFGLYFTWKJMPZ-DKHDPOIUSA-N 366.377 4.951 30 40 FJEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 224686006 KKYGXQYSSMMGAV-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB Cc1ccc(C(C)C)cc1COc1nn(Cc2ccccc2C)c(N)c1C#N 225844628 CTGHHBWUDNSCRS-UHFFFAOYSA-N 374.488 4.705 30 40 FJEB N#Cc1nc([C@H]2C[C@@H]2c2cccc(F)c2)oc1NCCc1cccs1 1775976181 PFSKKUKUARRKAD-CVEARBPZSA-N 353.422 4.673 30 40 FJEB Cc1ccccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1772531 DKQQJNACDBRCSV-CQSZACIVSA-N 368.502 4.851 30 40 FJEB Cc1ccc(S(=O)(=O)/N=C(\Oc2ccccc2C)c2ccccc2)cc1 3076953 QOKRLWSTCMHLGY-DQRAZIAOSA-N 365.454 4.518 30 40 FJEB C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 4477935 JWLZILSXRBYLTR-JSKMBAMBSA-N 367.492 4.881 30 40 FJEB Cc1nc(N/N=C/c2cccc(OC(=O)c3ccccc3F)c2)sc1C 4673467 JNLRSASAAAMIQJ-SRZZPIQSSA-N 369.421 4.564 30 40 FJEB CCO/N=C1\C[C@H](C)Cc2nnc(-c3ccc(Cl)cc3Cl)cc21 5194961 XITFJVYFZSBAKO-ONOOUNQSSA-N 350.249 4.773 30 40 FJEB C=C(C)C(=O)NCCCCCCCCCCC(=O)NCCc1ccccc1 5830907 MDFUFMMONNBPOO-UHFFFAOYSA-N 372.553 4.549 30 40 FJEB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2C#N)o1 15009052 AAAYRIDZGBBNGF-MOSHPQCFSA-N 353.381 4.624 30 40 FJEB Cc1ccc(/N=C\c2ccc(N3CCOCC3)cc2C)c(Br)c1 409098075 IFSBAOZJTSXNHU-BKUYFWCQSA-N 373.294 4.653 30 40 FJEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccncc1 703945 OVNNISQIUQMVBT-UHFFFAOYSA-N 360.845 4.611 30 40 FJEB CN(C)c1ccc(/C=N/N=C/c2ccc(N(C)C)cc2Cl)c(Cl)c1 2170407 DPNROQKODOXKPL-XHQRYOPUSA-N 363.292 4.578 30 40 FJEB C(=C/c1ccco1)\C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 19826405 JAZXDODTSZKGSQ-NAHLOZMDSA-N 369.468 4.666 30 40 FJEB N#CCc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225853296 GZUPKRHJBJOXLR-UHFFFAOYSA-N 363.530 4.985 30 40 FJEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 408961292 MILXWSWAHCRKAN-RNEAKCBISA-N 370.449 4.895 30 40 FJEB COc1ccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cn1 408967504 SVGHHBCJJJCAOD-CFRMEGHHSA-N 356.429 4.797 30 40 FJEB Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc2cncn12 1320025508 JORGOVSBHNCPBK-UHFFFAOYSA-N 368.396 4.559 30 40 FJEB N#Cc1cc(Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])cc1C#N 4064585 TWZHVGPTZWUYBM-UHFFFAOYSA-N 356.341 4.874 30 40 FJEB COc1ccc(/C=N/c2nc3c(s2)CCc2ccccc2-3)cc1OC 4698639 TXEARBSWUGLPKG-CIAFOILYSA-N 350.443 4.677 30 40 FJEB C/C(CC/C=C/c1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5412353 CAKTYKSNWCLKJV-YECQTARSSA-N 354.366 4.784 30 40 FJEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OC 10119106 LZFAFOFNLYRGNF-SRZZPIQSSA-N 353.249 4.524 30 40 FJEB N#Cc1ccc(N2CC[C@H](COCc3ccccc3)C2)c(C(F)(F)F)c1 95962013 PHDRSFMOSZRNMM-KRWDZBQOSA-N 360.379 4.620 30 40 FJEB CCCCCCCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 100984515 XHHYDFXVKIDNTA-UHFFFAOYSA-N 353.462 4.858 30 40 FJEB CN(C)c1ccc(C(C#N)(c2ccccc2)c2ccc(N(C)C)cc2)cc1 4365518 ORZXJYFZPFFYJC-UHFFFAOYSA-N 355.485 4.677 30 40 FJEB COc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(OC)c1OC 5320491 QGZHFZNLUZNOGJ-XQNSMLJCSA-N 362.429 4.885 30 40 FJEB CC/N=c1\scc(-c2cc(C)c(C)cc2C)n1/N=C/c1ccc(C)o1 12541738 FJAGUMUROXRGRM-KULGIPGCSA-N 353.491 4.846 30 40 FJEB O=C(OCC#CCSc1nc2ccccc2s1)c1ccccc1Cl 16449401 ZRQZAWVGIBORLL-UHFFFAOYSA-N 373.886 4.902 30 40 FJEB CC1=NN(CCC#N)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 100150845 CFSUMSDDDPNKMT-UVTDQMKNSA-N 374.227 4.769 30 40 FJEB C[C@H](/C(=N/Nc1ccccc1)c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc21 104295163 QFIOQZMUCYTKEW-ITCIPOOLSA-N 372.424 4.547 30 40 FJEB Cc1ccc(C(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)c(C)c1 712189 WUVCXJZANXUXNQ-UHFFFAOYSA-N 364.392 4.872 30 40 FJEB Cc1cccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)c1C 992023 QRGGBFQSZKZWNF-UHFFFAOYSA-N 365.396 4.573 30 40 FJEB N#Cc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2s1 2214641 DXGLCYWBJXIMCI-UHFFFAOYSA-N 359.863 4.552 30 40 FJEB CC(C)(C)C#CSc1nsc(NC(=O)Nc2ccc(Cl)cc2)n1 4984734 YAJOEBLABSUHAC-UHFFFAOYSA-N 366.899 4.935 30 40 FJEB CSc1ccccc1/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C 8334692 VCLCPLKHIPVOSL-HYARGMPZSA-N 363.486 4.961 30 40 FJEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OC(C)C 408597444 ZURFAPAALHNHHA-SSDVNMTOSA-N 358.825 4.558 30 40 FJEB COc1ccc(N=C2NC(=O)/C(=C\c3c(C)cc(C)cc3C)S2)cc1 408963543 CDPXVXZRJVBMMP-WOJGMQOQSA-N 352.459 4.512 30 40 FJEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 13985827 PCTZWTQISDEGQA-RUDMXATFSA-N 361.781 4.552 30 40 FJEB CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)O 98044684 MOTPSJUHMGPRFZ-BDLUFCPGSA-N 362.510 4.692 30 40 FJEB Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N\O)CC(C)(C)C2 100931493 GNGGHWLSZZUPMU-UCQKPKSFSA-N 364.401 4.506 30 40 FJEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 224694676 WRDLBURMRNRNML-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)OCc3ccccc3)nc2c1 1354477 YQDUWSSOCGFVRM-UHFFFAOYSA-N 362.454 4.559 30 40 FJEB C=CCSc1nnc(NC(=O)c2cc(F)c(Cl)cc2Cl)s1 9503887 TZPCXMSKJIZBSJ-UHFFFAOYSA-N 364.254 4.514 30 40 FJEB N#CCCSc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])s1 65453163 UGGCYSWWLABAEO-UHFFFAOYSA-N 367.839 4.568 30 40 FJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccccc3OC)c12 89534511 SUEJFTURHFOMKV-BUHFOSPRSA-N 371.440 4.688 30 40 FJEB CCN1C(=O)/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 102925096 HGWYMQSXJVHBMI-PXLXIMEGSA-N 352.743 4.846 30 40 FJEB O=C(/C=C/NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 110185135 JUBHABXTKIHSJP-OUKQBFOZSA-N 357.409 4.569 30 40 FJEB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCCCC1 225851967 XQGOOHUKQPXQMB-INIZCTEOSA-N 358.482 4.804 30 40 FJEB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 409166078 CIZLVUUFOCPPQU-RRRJGDELSA-N 360.438 4.741 30 40 FJEB CC(C)/N=C1\S/C(=C/c2ccc(Br)cc2)C(=O)N1C(C)C 409199112 BLQIGLBGJVMULC-WZMAMLOKSA-N 367.312 4.538 30 40 FJEB O=C(Oc1c(/C=N/N2CCCCC2)sc2ccccc12)c1ccccc1 2277874 NBOUYAASMLELSF-PXLXIMEGSA-N 364.470 4.940 30 40 FJEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCC[C@H](C)C2)C1=O 9476678 QKWUDUSLAZBPFH-VQIMKDEXSA-N 369.486 4.610 30 40 FJEB biogenic COc1cc(/C=N/Nc2ccc(Br)cc2)cc(Cl)c1OC 15008839 AHIINNGCEVGAAY-GIJQJNRQSA-N 369.646 4.566 30 40 FJEB CCOc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1 16691397 XTATUZNOTNIJRB-LFIBNONCSA-N 358.850 4.630 30 40 FJEB COC(=O)Nc1sc(N/N=C/c2ccccc2F)nc1-c1ccccc1 27015992 WHOUFDYUQZLPCP-RGVLZGJSSA-N 370.409 4.574 30 40 FJEB C=CCOc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)c1 67192435 LZUWPOLENCCIHT-QHCPKHFHSA-N 373.452 4.779 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)SC1=S 409020351 OJRXCQSOHYHBIA-MKVLZVNKSA-N 367.923 4.905 30 40 FJEB Cn1cccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 409099670 RWNLFSQDUPJARZ-HGRLKPHYSA-N 359.454 4.834 30 40 FJEB O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccc(F)cc1F 1079602 REORMCGSPXGBLL-LBPRGKRZSA-N 359.397 4.554 30 40 FJEB C/C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 19805805 UDUFCCGBFXOBBO-QLYXXIJNSA-N 369.512 4.818 30 40 FJEB O=S(=O)(/N=C(\O)C1CCCCCCC1)c1ccccc1C(F)(F)F 76765429 SDZYURHUPVQBLI-UHFFFAOYSA-N 363.401 4.711 30 40 FJEB Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccc(F)cc1 408780304 XBDMEVLQKWPLCH-XKZIYDEJSA-N 366.465 4.554 30 40 FJEB CCOc1cc(Cl)c(C=C2C(=O)c3ccccc3C2=O)cc1OCC 408912503 HPOBQTIXTDDKBZ-UHFFFAOYSA-N 356.805 4.600 30 40 FJEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(O)cc3)c3ccccc32)o1 409393114 PAOKVIVBXJXYNW-FSJBWODESA-N 374.396 4.525 30 40 FJEB C[C@H](Nc1oc(COc2ccc(Cl)cc2)nc1C#N)c1ccccc1 2393801 RUYOIJWJWAYSFD-ZDUSSCGKSA-N 353.809 4.952 30 40 FJEB C(=N/Nc1ncnc2sc3c(c12)CCCC3)\c1ccnc2ccccc12 5532631 OHQAUTOKIGNSSZ-BHGWPJFGSA-N 359.458 4.564 30 40 FJEB C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 6071254 XKVXGIXCUFDGKQ-UHFFFAOYSA-N 366.877 4.948 30 40 FJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OC)c3)c12 23936200 JEZVGQFQMQYQTF-OUKQBFOZSA-N 371.440 4.688 30 40 FJEB COc1ccc([C@H]2C[C@]2(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 51330275 KFYFXOTZECSPIN-RDTXWAMCSA-N 361.228 4.638 30 40 FJEB COc1ccc(/N=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 104160196 PIPQUEPAGSEIKH-HAHDFKILSA-N 361.397 4.674 30 40 FJEB O=C1Nc2ccc(C(F)(F)F)cc2/C1=N/Nc1ccc(Cl)cc1Cl 223745968 UZVSSMDNUWFIJT-UHFFFAOYSA-N 374.149 4.781 30 40 FJEB C=CCO/N=C(\CCC)[C@H]1/C(=N\OCC)CC(C)(C)C/C1=N\OCC 257345419 VVKYCMXPCMOVKQ-QBBMPQEKSA-N 351.491 4.566 30 40 FJEB CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N/c1ccc(OC)cc1 409224001 GZMFSXVYBDQMFV-HWWZFDGNSA-N 372.877 4.973 30 40 FJEB N#C[C@@H](C(=O)c1cncs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 559283852 KJRURNGZBXTTKE-DHMWACEASA-N 369.515 4.557 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 4033388 IUXXWSLIUJFAJE-SFHVURJKSA-N 359.473 4.750 30 40 FJEB COc1cccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1OC 4922689 DECJFUGPPBDENS-ZVBGSRNCSA-N 358.747 4.822 30 40 FJEB COc1ccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c(OC)c1 12662988 UTXVXVIFMQEQPH-NHDPSOOVSA-N 366.413 4.665 30 40 FJEB biogenic C/C(=N/O)c1ccc(OCCCCCOc2ccc(/C(C)=N\O)cc2)cc1 13764741 XLOJHEJBSBNIGU-IDUDEYGOSA-N 370.449 4.711 30 40 FJEB C=CCN(C(=O)c1ccc(Br)cc1)c1nc2ccccc2s1 14197002 SWGKPPUQPCRBQC-UHFFFAOYSA-N 373.275 4.892 30 40 FJEB COc1ccc(C(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1 35289034 LDGXQCWLFIQWMF-UHFFFAOYSA-N 362.454 4.707 30 40 FJEB N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCC1)c1nc2ccccc2o1 54733982 HFUMCTOOPMKHHP-OAHLLOKOSA-N 350.805 4.779 30 40 FJEB COc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1 59461345 YEGPUHDBIISOIX-SLCIEKFFSA-N 352.415 4.886 30 40 FJEB CC1=Nc2ccccc2N(C)/C1=C\C1=C(Cl)C(=O)c2ccccc2C1=O 104200838 CXXIYKBZSLAGHP-WQRHYEAKSA-N 362.816 4.685 30 40 FJEB C/N=c1\scc(-c2cccc(Cl)c2)n1/N=C1/CCc2ccccc21 105831247 QSXYYOONPOZKHW-UQYFAFGJSA-N 353.878 4.599 30 40 FJEB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225846876 XSJCFTRHYGRLOC-OAQYLSRUSA-N 360.498 4.907 30 40 FJEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)cc1 409184092 IQFIILPMUYYVQB-OEAKJJBVSA-N 362.429 4.942 30 40 FJEB C#CCOc1c(Cl)cc(/C=N/c2oc(C)c(C)c2C#N)cc1OCC 409184285 VVZNSCHKKSOQTQ-SSDVNMTOSA-N 356.809 4.583 30 40 FJEB CN1/C(=C/C=C(/N=C(C#N)C#N)c2ccccc2)C(C)(C)c2ccccc21 2041453 FMSWLENMEXUPAV-STHOXOPSSA-N 352.441 4.827 30 40 FJEB COc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 6639926 YBCXUVODRBSHDQ-BQYQJAHWSA-N 366.335 4.627 30 40 FJEB Cc1cc2c(cc1/C=N\Nc1ccc(C(=O)O)cc1)[C@H](C)CC(C)(C)N2C 208211026 UZNJFZIFHYHFAG-KSJDGYIASA-N 365.477 4.861 30 40 FJEB C=CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 219642576 PWYBGJJIERRHHM-LJQANCHMSA-N 351.446 4.592 30 40 FJEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C(C)C)cc1 408789847 RZKGPAOLKRDADX-FQEVSTJZSA-N 373.452 4.551 30 40 FJEB Cc1[nH]c2ccc(F)cc2c(=O)c1SC(F)(F)[C@@H](F)C(F)(F)F 5049552 BLSZVXGOLURTQP-NSHDSACASA-N 359.266 4.561 30 40 FJEB CCCCOC(=O)[C@H](C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1 5514036 TYIYMOAHACZAMQ-AWEZNQCLSA-N 357.381 4.600 30 40 FJEB biogenic C/C(=N/N=c1/sc2ccccc2n1C)c1ccc(Cl)c(Cl)c1 6707285 ZFFUBAZURKWAFB-FKXATRFUSA-N 350.274 4.872 30 40 FJEB CCOc1cc(/C=C/C(=O)c2nc3ccccc3s2)cc(Cl)c1O 7335928 ONGIXUWOFLJQQV-BQYQJAHWSA-N 359.834 4.950 30 40 FJEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2 8229878 LGEOXCPICWRKAO-UHFFFAOYSA-N 370.408 4.639 30 40 FJEB COc1ccccc1/C=N\n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S 12466605 CISDPLLALZSHJW-BKUYFWCQSA-N 366.490 4.796 30 40 FJEB C=CCSc1nnc(NC(=O)c2ccccc2SC(C)C)s1 225857850 JKHKJUGTWAYYMC-UHFFFAOYSA-N 351.522 4.569 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)ccc1OC 408702126 CSDHGJDZXUAGNI-UHFFFAOYSA-N 367.445 4.633 30 40 FJEB Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)c(C)c1 409211415 NDGPHPHFICPTPJ-JCMHNJIXSA-N 365.454 4.822 30 40 FJEB O=C(c1cccc(F)c1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575360106 DFNYVLASOGMSMI-UHFFFAOYSA-N 360.122 4.860 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1O 7741925 NRMVPHYZNSYHRC-ZZXKWVIFSA-N 353.201 4.612 30 40 FJEB CCOc1ccc2ncc(C#N)c(N3CCC(Cc4ccccc4)CC3)c2c1 16841793 FRFFTUOUYRSGBC-UHFFFAOYSA-N 371.484 4.964 30 40 FJEB COc1ccccc1/C=C1/S/C(=N/c2cccc3ccccc23)NC1=O 35644483 LUBSDBSKCKCSSV-CPNJWEJPSA-N 360.438 4.740 30 40 FJEB COc1ccc2ccccc2c1/C=C1\SC(=N)[C@H](c2nccs2)C1=O 138752890 UYFILIWUTCYOOJ-KCNVCSLJSA-N 366.467 4.723 30 40 FJEB C=CCOc1c(Br)cc(CNc2cccc(C)c2)cc1OC 409113171 IIJNCQBSWLYNAP-UHFFFAOYSA-N 362.267 4.943 30 40 FJEB CC(C)c1c(NCc2nc(C#N)cs2)cnn1-c1ccccc1Cl 566708384 JULLKNIMSJWYIR-UHFFFAOYSA-N 357.870 4.589 30 40 FJEB N=C(Nc1ccccc1)SCCCCS/C(N)=N/c1ccccc1 1669560 WYTDIJVOSQBKQJ-UHFFFAOYSA-N 358.536 4.926 30 40 FJEB CCCCCCCC(=O)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1 2062998 LJWBUYHFHRYIAT-UHFFFAOYSA-N 365.429 4.753 30 40 FJEB O=C(OCC#CCSc1nc2ccccc2s1)c1ccc(Cl)cc1 2194660 HVDHUGRUFMCHLJ-UHFFFAOYSA-N 373.886 4.902 30 40 FJEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 6400883 XBMCUSMYNRSCMJ-MRXNPFEDSA-N 358.397 4.757 30 40 FJEB O=[N+]([O-])c1ccccc1/C=C/C=N/n1cc(-c2ccccc2)[nH]c1=S 7141495 SMUZIDHJZRXEBT-ATFGCDJJSA-N 350.403 4.668 30 40 FJEB CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1 8362894 BWDHGWBVRRUAKU-BIXZQSIESA-N 352.459 4.628 30 40 FJEB CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)cc1 100299861 DQSQLAVANOTGSK-SXFBWKAHSA-N 352.459 4.709 30 40 FJEB CCCC(NCCc1ccccc1)=C1C(=O)CC(c2ccccc2)CC1=O 102994068 SJWWCUCCMHHZQC-UHFFFAOYSA-N 361.485 4.589 30 40 FJEB C#CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(OCC)c1 226325173 DJICJLYEVROYGR-UHFFFAOYSA-N 360.409 4.608 30 40 FJEB Cc1ncc(-c2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)o1 505097387 COMNAMXYMUKMOO-UHFFFAOYSA-N 363.392 4.577 30 40 FJEB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 1085581 MZNGXQVHLPRQHJ-ZWNOBZJWSA-N 355.290 4.638 30 40 FJEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(I)cc1 4402205 LDIYHTAQHASEAL-XCVCLJGOSA-N 368.601 4.841 30 40 FJEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2O)c(C)n1-c1ccc(F)cc1 4859427 VLWCATJYLYOPOH-NHDPSOOVSA-N 353.353 4.598 30 40 FJEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 5791249 OSXNECNAZOIBEG-JIIKEMMSSA-N 365.502 4.548 30 40 FJEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C(=O)O)cc1 6947867 NUECVVCRHMYOAW-VZCXRCSSSA-N 370.861 4.987 30 40 FJEB C=C1[C@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@@]3(C2)[C@@H]1OC(C)=O 13423830 AQBQBBLJTDSVLC-FFPWWWKNSA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4C)ccc3C2=O)o1 13776588 FOQWMCHHGRWGPL-NDENLUEZSA-N 360.365 4.732 30 40 FJEB CC[C@@H](C)Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1OC 15008662 RIDXCKRHXDWFRT-HMHKGCENSA-N 355.463 4.928 30 40 FJEB C[N+]1(C)C/C(=C/C=C\c2ccccc2)C(=O)/C(=C/C=C\c2ccccc2)C1 17197516 BWGCJHMLEDGPST-PYXYSPHUSA-N 356.489 4.925 30 40 FJEB CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3cccc(O)c3)o2)cc1 32665932 ZNOYNHTUEUPDLM-ZRDIBKRKSA-N 362.381 4.725 30 40 FJEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 33011100 NYFJNSOZELINIP-UHFFFAOYSA-N 373.481 4.968 30 40 FJEB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc2ccccc2o1 40156547 BFUMAYLRANENDZ-YOEHRIQHSA-N 362.429 4.769 30 40 FJEB Cc1ccc(/N=C2/N[C@H]3N=C(c4ccc(Cl)cc4)S[C@@H]3S2)cc1 41097426 TYPVLNCMGLIMDX-GDBMZVCRSA-N 359.907 4.818 30 40 FJEB CC/C(C)=N\Nc1nc2c(OC(F)F)cc(Br)cc2s1 57328262 IAKDZCDOJHCBMR-FMQZQXMHSA-N 364.215 4.858 30 40 FJEB COc1ccc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)[nH]c2c1 83970258 CJFOEMYNBUYEMH-MRXNPFEDSA-N 373.437 4.790 30 40 FJEB COc1ccc(CN/N=C(\C)c2cc(Cl)ccc2Cl)cc1OC 216059051 ZGVGBAYJWMAWRV-SRZZPIQSSA-N 353.249 4.524 30 40 FJEB C=C(C)COc1cccc(C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)c1 219793410 XDJLNVOQCHODBG-IBGZPJMESA-N 369.461 4.540 30 40 FJEB COc1cccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)c1 408723422 UHRUDXXFKWORHE-CIAFOILYSA-N 350.443 4.677 30 40 FJEB O=C(c1c(F)cccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242976 PBOFRNNZTZKBKC-UHFFFAOYSA-N 360.122 4.616 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc2c1 899100 WDCQRTBOUUZDEE-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(Br)s1 4924319 ULLAGOIATKMUCU-LZYBPNLTSA-N 352.282 4.956 30 40 FJEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 5217054 IHQRIZDLRHOWKP-JAIQZWGSSA-N 363.800 4.930 30 40 FJEB Cc1nc(-c2ccc(O)cc2)sc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 7333550 NANLLYPWMNCOTB-DHZHZOJOSA-N 366.398 4.628 30 40 FJEB FC(F)(F)c1ccccc1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 12375472 BEKZQSZTOFIQAG-QRVIBDJDSA-N 367.802 4.515 30 40 FJEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)c1ccco1 12862437 SMBRMZZOVKMFPF-ZDLGFXPLSA-N 366.756 4.768 30 40 FJEB biogenic N#Cc1ccc(/C=C/C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 30301144 YUEADLIFHQECOS-KPKJPENVSA-N 370.374 4.781 30 40 FJEB CC[C@H]1S/C(=N\N=C(/C)c2ccccc2)N(c2ccc(C)cc2)C1=O 33957249 KMSWGRSAOVGMGM-ACUSFWJRSA-N 351.475 4.634 30 40 FJEB N#Cc1ncc(C(F)(F)F)cc1Sc1ccc(Br)cc1 95829757 UJLGQXDZLMEKIT-UHFFFAOYSA-N 359.170 4.886 30 40 FJEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 224488638 IRPXVRZJVINDTM-INIZCTEOSA-N 351.446 4.536 30 40 FJEB C=CCOc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)cc1 225791456 PNHBNKYHPQDVSL-KRWDZBQOSA-N 370.518 4.622 30 40 FJEB Cc1ccccc1/C=C1\SC(=Nc2ccc(Br)cc2)NC1=O 408757837 CZDTXRFYSJMLIR-GDNBJRDFSA-N 373.275 4.649 30 40 FJEB Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408857542 ODAMLDUVBBVZBM-LSHDLFTRSA-N 353.809 4.591 30 40 FJEB N#Cc1cc2c(-c3ccccc3)nc(N)n2nc1-c1ccc2ccccc2c1 1548338376 UHEAKMOKMDFTHA-UHFFFAOYSA-N 361.408 4.670 30 40 FJEB S=C(NCc1ccccc1)N/N=C/c1ccc(-c2ccccc2Cl)o1 4511046 HFRPTAFDOIZSRG-LPYMAVHISA-N 369.877 4.598 30 40 FJEB COc1ccc(Br)cc1/C=N/Nc1nc2ccccc2s1 4616605 LFDRQGVXTVJUJK-RQZCQDPDSA-N 362.252 4.513 30 40 FJEB Clc1ccccc1/C=N/c1nc2ccccc2n1CCN1CCCCC1 4741745 LKHSKFCFXDYMHI-XQNSMLJCSA-N 366.896 4.926 30 40 FJEB Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC#N)cc1 5020672 WAVSEBFOBGLYFJ-SAPNQHFASA-N 354.409 4.710 30 40 FJEB CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cccc(Cl)c1 20034004 RJLCFIAKMMGAAJ-LICLKQGHSA-N 371.820 4.634 30 40 FJEB Cc1nc(SC/C(O)=N/C23CC4CC(CC(C4)C2)C3)n(C2CC2)c1C 32894063 SCUBFZZATCPBCW-UHFFFAOYSA-N 359.539 4.852 30 40 FJEB Fc1ccc(-c2cc(-c3ccccc3)nc(N/N=C\c3ccncc3)n2)cc1 33906595 ACINAATZUNRFON-MYYYXRDXSA-N 369.403 4.791 30 40 FJEB C[C@H]1CCCCN1Cc1ccc(/N=C2/C=C(O)C(=O)c3ccccc32)cc1 226757109 ANRYFFWMRUYETD-QWVAQTLSSA-N 360.457 4.820 30 40 FJEB Fc1ccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1 409029391 AISSXRJPZAGKTJ-FINSYCMTSA-N 372.215 4.800 30 40 FJEB Fc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2360314 VPWBKNJDKQBJOX-UWVJOHFNSA-N 367.236 4.562 30 40 FJEB COc1ccc(CCNc2oc(-c3cccc(Cl)c3)nc2C#N)cc1 2426233 BRLLBFKCWQPEJH-UHFFFAOYSA-N 353.809 4.530 30 40 FJEB CCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 5908068 PBJAGMWOEBTJHG-ONNFQVAWSA-N 361.235 4.753 30 40 FJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F 11914462 AEUHGWDTEAKJIK-LJQANCHMSA-N 367.420 4.513 30 40 FJEB CCc1cc2c3c(c1)/C(=N\c1ccc4c(c1)OCO4)C(=O)N3C(C)(C)C=C2C 16161321 ISKTYYHKSZLXIA-HIXSDJFHSA-N 374.440 4.641 30 40 FJEB N#C/C(=N/Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 103743887 NURCWMVJOWDSAD-STZFKDTASA-N 352.608 4.821 30 40 FJEB CC[C@H](C)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1 409018583 XGJQEOMNGRIXGG-FOCYVMGBSA-N 355.434 4.811 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 409064142 BUAUKNAZYNQFME-DEDYPNTBSA-N 374.465 4.912 30 40 FJEB N#CC1(C#N)[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl 1399442 RHDKLJWYHDVRDA-HZPDHXFCSA-N 374.202 4.518 30 40 FJEB CC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1 3153341 NVKNUWLUMQUJBL-QGMBQPNBSA-N 367.630 4.517 30 40 FJEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 5155621 QDMNSSUCJSLDIC-ODLFYWEKSA-N 351.358 4.556 30 40 FJEB COc1ccc(-c2nnc(SCCC#N)n2[C@@H]2CCCC[C@H]2C)cc1 6974767 PASOOUJCAGJQIL-RHSMWYFYSA-N 356.495 4.711 30 40 FJEB Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)o1 12822093 MUOUCDWRQNVJMN-CMDGGOBGSA-N 355.397 4.732 30 40 FJEB CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 13768994 GICSFXDLCDZTLR-NDENLUEZSA-N 360.365 4.677 30 40 FJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1Cl 69374795 VQEOJIILXZONKJ-MAUKXSAKSA-N 360.862 4.721 30 40 FJEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccccc3F)c3ccccc32)o1 408542742 NRKSIPVUTCLGTB-KSEXSDGBSA-N 362.360 4.871 30 40 FJEB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21 409155171 CJTYKLYMZPGBOD-WOIUINJBSA-N 374.440 4.511 30 40 FJEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 5659935 AMIQTOAABLNDOO-FYJGNVAPSA-N 364.276 4.666 30 40 FJEB O/C(=N\C1CC1)[C@H](Sc1ccc2c(c1)OCCCO2)c1ccc(F)cc1 12255697 BHPKWMOMBFTRNP-LJQANCHMSA-N 373.449 4.939 30 40 FJEB C[C@H](C[C@@H](C#N)NCCN[C@H](C#N)C[C@H](C)CC(C)(C)C)CC(C)(C)C 19368201 FHEQJCCBJZWVQZ-YRPNKDGESA-N 362.606 4.875 30 40 FJEB C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cccs2)C3=O)C1 20647507 NCMRWOGLPHBUSW-KEHVOCCWSA-N 369.486 4.548 30 40 FJEB biogenic CCCCCCCNC(=O)CCCC(=O)N1c2ccccc2CC[C@H]1C 98045643 LJUXPPHTOIHGRZ-GOSISDBHSA-N 358.526 4.611 30 40 FJEB Cc1ccc(N(CCC#N)C(=O)c2cnc(-c3ccccc3)s2)cc1C 103961313 IJMJMMLSYUHQRV-UHFFFAOYSA-N 361.470 4.987 30 40 FJEB CC(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 147461280 KGQPONMZUIUKNK-UHFFFAOYSA-N 374.165 4.853 30 40 FJEB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c(C#N)c1 225833082 RAGUOKGYJPPTLW-IIBYNOLFSA-N 358.482 4.661 30 40 FJEB Cc1cccc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)NC2=O)c1 4613889 KIKZTEFIKRIYPY-NHBQYWDPSA-N 367.518 4.757 30 40 FJEB COc1ccc(N/N=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 5023810 IVPYPPUBJNQXNE-KQWNVCNZSA-N 368.849 4.812 30 40 FJEB N#CCSc1ccccc1NC(=O)COc1cccc(Cl)c1Cl 5747183 SUOBITDOSAKMJF-UHFFFAOYSA-N 367.257 4.627 30 40 FJEB O=C1Nc2ccc(Br)cc2/C1=N\c1cc(Cl)cc(Cl)c1 6438247 UGFRBPGKEYUHHC-UHFFFAOYSA-N 370.033 4.829 30 40 FJEB C=CCOc1c(Cl)cc(/C=N/Nc2ccc(C#N)cc2)cc1OCC 6464433 AZWKQNUVUYSBHU-LPYMAVHISA-N 355.825 4.621 30 40 FJEB CCOc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Br)c1OC 16975955 VYPABLVLNIZOKN-VOTSOKGWSA-N 365.223 4.654 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCCC 219807488 APLJMRHVTZIONG-UHFFFAOYSA-N 368.502 4.747 30 40 FJEB C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)c1 225709744 LRRNMCHLNQZTEG-JOCHJYFZSA-N 365.473 4.926 30 40 FJEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)n2cc(C#N)c3ccccc32)o1 226361936 LXXDSCXDNILLCM-UHFFFAOYSA-N 371.352 4.678 30 40 FJEB Cc1c(CCC(C)C)/c(=N/c2ccncc2)n2c([nH]c3ccccc32)c1C#N 1247630 YVSKFQFKFIISIY-ROMGYVFFSA-N 369.472 4.817 30 40 FJEB C=CCOc1ccc2cc(-c3cccc(Br)c3)c(=O)oc2c1 2529937 FPYMYNTXZBOIOG-UHFFFAOYSA-N 357.203 4.787 30 40 FJEB biogenic Cc1sc(N/N=C/c2ccco2)nc1-c1ccc(Br)cc1 4154793 VBRQEEGCRALZBS-RQZCQDPDSA-N 362.252 4.920 30 40 FJEB COc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)ccc1OCC#N 6580905 BFAQCYMMVZEGSG-KOEQRZSOSA-N 371.440 4.638 30 40 FJEB O=C(O)c1ccccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 9193482 HHMAFYGQLZKZOI-RGVLZGJSSA-N 363.398 4.701 30 40 FJEB CC[C@@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1ccc(C)nc1 32895853 DXCPRQCZALSZMQ-JIQGDJCJSA-N 359.882 4.699 30 40 FJEB CC1(C)OC(c2ccccc2)=C/C(=C/C=C/C(=O)/C=C(\N)c2ccccc2)O1 100561173 JKTDDLQJKLQVLD-BAXYMUQXSA-N 373.452 4.819 30 40 FJEB COc1ccc(CC/N=C\c2ccc3c(c2)Cc2ccccc2-3)cc1OC 104188908 USXUCXMMEVJUJW-XYGWBWBKSA-N 357.453 4.937 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)OCC)cc1C 219813285 QSZDTWWETPVWAE-UHFFFAOYSA-N 355.459 4.702 30 40 FJEB C=CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OCC 409094134 CELOWVQCZGGLCN-UYRXBGFRSA-N 353.443 4.735 30 40 FJEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(OCc2ccccc2)cc1 863211 BLUDIFJLNHCQII-XIEYBQDHSA-N 372.468 4.853 30 40 FJEB O/N=C(\c1ccccc1)c1ccc2c(Br)ccc3c2c1CC3 8628521 WMMBKSROIVZPRM-XUTLUUPISA-N 352.231 4.928 30 40 FJEB CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C(C)C)cc1 12961955 KXXOUXDLELBYGW-OAQYLSRUSA-N 357.453 4.967 30 40 FJEB COc1cc2c(cc1OC)[C@@H](c1ccc(C)c(C)c1)C1=C(CCCC1=O)N2 18197228 KSDWUJYUIYDNOD-JOCHJYFZSA-N 363.457 4.885 30 40 FJEB CCCCCCCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 100013278 XCOPVVPKYGWZLR-UHFFFAOYSA-N 356.466 4.879 30 40 FJEB C=CCOc1cccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1 225705075 YDQHDWNJJSSYGR-FQEVSTJZSA-N 368.502 4.624 30 40 FJEB COc1ccc(C/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 408784372 RYUQRWDGCDGZJM-HMAPJEAMSA-N 363.417 4.630 30 40 FJEB COc1ccccc1/C=C1\S/C(=N\c2ccc3ccccc3c2)NC1=O 5376409 IILUDAIYJIFEBA-UYRXBGFRSA-N 360.438 4.740 30 40 FJEB N#Cc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 10277603 FNRIHHSFNXZXTP-UHFFFAOYSA-N 362.820 4.527 30 40 FJEB N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1-c1ccccc1 11618647 KXRAMEIGEVFXLB-UHFFFAOYSA-N 361.832 4.929 30 40 FJEB Cc1cc(SCC(=O)N(CCC#N)c2ccccc2)nc2ccccc12 12529177 WTWGANKQZZCCEQ-UHFFFAOYSA-N 361.470 4.582 30 40 FJEB C=C(C)Cn1c(SCCOc2ccccc2OC)nc2ccccc21 15833316 MCNBILUEOSEOHJ-UHFFFAOYSA-N 354.475 4.792 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1F)OCO3 18197441 SKZQGJHEEQUBET-HXUWFJFHSA-N 365.404 4.755 30 40 FJEB Cc1ccc(-c2nc(N/N=C/c3ccc([N+](=O)[O-])o3)nc3ccccc23)cc1 46085338 DSTZDNJPNDAURZ-CIAFOILYSA-N 373.372 4.552 30 40 FJEB N#Cc1c(Cl)nsc1NCc1cccnc1Oc1cccc(F)c1 52075264 YNVFJZYICKXRPW-UHFFFAOYSA-N 360.801 4.607 30 40 FJEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\Nc3ccc(C(=O)O)cc3)cc21 208207962 VJUYOCPFAIUWKU-CRRPLPBISA-N 351.450 4.553 30 40 FJEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1OC 218656378 PTUDQSCYHKXAEK-UHFFFAOYSA-N 371.436 4.907 30 40 FJEB COc1cc(/C=N\C2CCCCC2)ccc1OCc1cccc(C(=O)O)c1 408849676 XSGCZNOIYRUZBT-UCQKPKSFSA-N 367.445 4.724 30 40 FJEB O=C1/C(=C(\O)C(F)(F)F)CCC/C1=C\c1cccc(Br)c1 409359865 NWMAWYRVJJCPEJ-BCBKQYOUSA-N 361.157 4.960 30 40 FJEB Cn1c(/C=N/c2nc3ccccc3n2Cc2ccccc2)nc2ccccc21 721773 RPVQICKJRDVMAH-BUVRLJJBSA-N 365.440 4.722 30 40 FJEB Cc1cccc(C(=O)Nc2cccc(Oc3nc(C)cc(C)c3C#N)c2)c1 1072431 ZBHLYTHTGSGKDI-UHFFFAOYSA-N 357.413 4.923 30 40 FJEB Cc1cs/c(=N\N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]1 5815937 QJXADGRRDWLYLR-KEBDBYFISA-N 357.866 4.552 30 40 FJEB C=CCSc1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1 7594562 DMGWHQPFNUOHEO-UHFFFAOYSA-N 371.940 4.591 30 40 FJEB COc1ccccc1/N=C/c1cc(Br)c(Br)o1 59104356 VJCGWPAXJXQLAJ-VIZOYTHASA-N 359.017 4.564 30 40 FJEB CC1=NOC(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 408946127 YARGJMYYAXSLRF-XDHOZWIPSA-N 361.372 4.874 30 40 FJEB O=[N+]([O-])c1cc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)ccc1Cl 7736063 IMTQCGJOLMFSDY-GIJQJNRQSA-N 358.810 4.656 30 40 FJEB O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)c1ccco1)c1ccccc1N2 12652251 DHDMWIIPIGKSDE-OAQYLSRUSA-N 374.396 4.693 30 40 FJEB O=C(O)c1ccc(/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 15224780 OIHISQMUVMIOSX-FBHDLOMBSA-N 369.760 4.747 30 40 FJEB C=CCSc1ccccc1C(=O)NCCOc1ccccc1C(C)C 223798179 YWICZUQVYYPYRE-UHFFFAOYSA-N 355.503 4.897 30 40 FJEB Cc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)c1ccccc1 408621344 LTKJJZPEXAIVIL-UHFFFAOYSA-N 373.387 4.510 30 40 FJEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(C)c(OC)c3)nc1-2 408723691 ZYBQLLFXQUZGLQ-UFFVCSGVSA-N 366.442 4.779 30 40 FJEB N#C[C@]1(Cc2ccccc2)c2ccccc2C=CN1C(=O)c1ccccc1 1019603 VQBSSSAAVXOLLK-XMMPIXPASA-N 350.421 4.775 30 40 FJEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)c1C 5477827 MDOWKBHLHTUEQL-ODLFYWEKSA-N 361.470 4.687 30 40 FJEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CO 9046835 USJUZEYYTPWSSZ-HVJHZFLKSA-N 360.494 4.656 30 40 FJEB biogenic N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2[nH]1 12523633 RBFMHXZDSQDXJV-SFHVURJKSA-N 353.381 4.845 30 40 FJEB N#CCSc1ccccc1C(=O)NCC1(c2ccccc2)CCCCC1 40082934 NTIVLIZQDFKRFC-UHFFFAOYSA-N 364.514 4.934 30 40 FJEB CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C#N)c1 58378874 XOXBGSNYSWRWSV-UHFFFAOYSA-N 372.268 4.872 30 40 FJEB Cc1c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc2n1C 59105835 QQUIPSSPIPIJAU-WOJGMQOQSA-N 365.433 4.517 30 40 FJEB COc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408930956 FIWHYXRECIXBBA-CIAFOILYSA-N 365.260 4.589 30 40 FJEB CCOc1ccccc1C1C2=C(CCCC2=O)N(CC)C2=C1C(=O)CCC2 4545287 NUHQKEKXDFJPLS-UHFFFAOYSA-N 365.473 4.519 30 40 FJEB C=C/C=C(C)\C(C)=C(C)\N=C\c1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 5530760 OWDBNOCRVRTIJE-KWFNMVCVSA-N 370.456 4.806 30 40 FJEB O=[N+]([O-])c1cc(/C=N/N=C(/S)Nc2ccccc2Cl)ccc1Cl 13865414 KVGFHVXQOJFYEL-CAOOACKPSA-N 369.233 4.633 30 40 FJEB COC(=O)c1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 58871875 SPWNUKJMCXKBBN-ZVHZXABRSA-N 356.425 4.744 30 40 FJEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccsc2)C(=O)C1 100025481 MZIDXLNHAAQXHZ-KRWDZBQOSA-N 374.502 4.607 30 40 FJEB Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116576 LWFAKGAQDGIUIF-UDWIEESQSA-N 364.361 4.661 30 40 FJEB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 225762921 VDSKHKFLQCSDGV-UHFFFAOYSA-N 366.436 4.937 30 40 FJEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 226335058 BZAFAEZQTXCXJY-MDZDMXLPSA-N 358.821 4.670 30 40 FJEB Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 408854719 AOGYSJHVPKNHSJ-PGECNJAHSA-N 362.429 4.697 30 40 FJEB Cc1ccc(CSc2nncn2/N=C/c2cccc3ccccc23)cc1 1914487 CJVFICHHRYQFID-YDZHTSKRSA-N 358.470 4.914 30 40 FJEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1 4295944 ZSHYJMUGLJPHON-UHFFFAOYSA-N 366.877 4.948 30 40 FJEB C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C/c1ccc([N+](=O)[O-])cc1 4764904 BERRXIRFFXKUFA-HYARGMPZSA-N 373.416 4.535 30 40 FJEB Cc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1 4869421 DVUBZMUXGWOXEY-SRZZPIQSSA-N 353.857 4.600 30 40 FJEB Cc1sc2nc(SCCCC#N)n(Cc3ccccc3)c(=O)c2c1C 8621149 YFBXIXYSNRBZNR-UHFFFAOYSA-N 369.515 4.519 30 40 FJEB COc1ccc(/C(=N/c2cc(C)nn2-c2ccccc2)C(F)(F)F)cc1 102924895 VWDNBUZBLLEHBQ-NKFKGCMQSA-N 359.351 4.872 30 40 FJEB Cc1ncsc1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 4107518 HDDVAYMXYLNJNI-QGZVFWFLSA-N 350.399 4.666 30 40 FJEB CCOC(=O)C1=C(C)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 19890820 PWAZDXWQDRIJAP-QGZVFWFLSA-N 373.880 4.507 30 40 FJEB N#Cc1c(/N=C/c2ccccc2O)sc2c1CCN(Cc1ccccc1)C2 23411631 DFIRXOULKBKKLR-ZMOGYAJESA-N 373.481 4.634 30 40 FJEB C/C(=N\Cc1ccccc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370464 XPIIKIMDWBUDFQ-KOEQRZSOSA-N 368.436 4.706 30 40 FJEB CC(=O)Nc1ccc2c(c1)Cc1cc(/N=C\c3ccc4c(c3)OCO4)ccc1-2 104085912 PEDPYQNBVZXDKH-MSXFZWOLSA-N 370.408 4.696 30 40 FJEB COc1ccc2ccccc2c1-c1c(-c2ccccc2)c[nH]c(=N)c1C#N 408982332 XQBJFTNUQIIRHX-UHFFFAOYSA-N 351.409 4.862 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(Cl)c2)C1=O 409104962 LQJGGOQRKBHLPF-XYOKQWHBSA-N 358.246 4.614 30 40 FJEB Cc1oc(/N=C/c2ccc(OCc3ccccc3C#N)cc2)c(C#N)c1C 1102978 AKMTYOCEGMNRQR-DHRITJCHSA-N 355.397 4.969 30 40 FJEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(=O)O 2351020 GUDXLRLSIOUYOF-UHFFFAOYSA-N 364.401 4.603 30 40 FJEB CCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 4194627 GQLVNXRYECHDTH-UHFFFAOYSA-N 354.475 4.930 30 40 FJEB O=c1c2c(ncn1/N=C\c1ccccc1)-c1ccccc1CC21CCCCC1 33342926 CVHCJJPSWYHVMK-QQXSKIMKSA-N 369.468 4.551 30 40 FJEB CC(=O)c1cccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c1 59248710 FHTHQCJBUYTEHO-YBFXNURJSA-N 361.239 4.596 30 40 FJEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)C(c1ccccc1)c1ccccc1)C[C@]32C 253387589 IBQYYKIYZBFDDJ-ZBCONREDSA-N 370.496 4.749 30 40 FJEB N#C[C@]1(c2ccc(OCc3ccccc3)cc2)CCC(=O)N1c1ccccc1 987620 HPYSDJRRXDJCCD-DEOSSOPVSA-N 368.436 4.811 30 40 FJEB C=C(C)Cn1c(=S)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1248540 VOSLPTBXRHDNEW-UHFFFAOYSA-N 352.503 4.907 30 40 FJEB N#C[C@H]1c2ccccc2C=NN1C(=O)N(c1ccccc1)c1ccccc1 1615061 YFDGFNISEBMGNI-NRFANRHFSA-N 352.397 4.859 30 40 FJEB Clc1ccccc1-c1nc(N/N=C/c2cccnc2)c2ccccc2n1 4863104 UCFKGBBTFVHXEQ-YDZHTSKRSA-N 359.820 4.791 30 40 FJEB Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc(C)c(C)s3)cc2)c1 14257494 QAEDJSJOOFRBSL-CIAFOILYSA-N 365.458 4.734 30 40 FJEB COc1ccc([C@H](CNc2oc(C)nc2C#N)c2c[nH]c3ccccc23)cc1 94992876 VVZAWZCSFDYOHQ-SFHVURJKSA-N 372.428 4.589 30 40 FJEB CC1(C)CC(=O)C(=CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)C(=O)C1 102223817 WRIWBNNBIXRBON-NRFANRHFSA-N 367.876 4.861 30 40 FJEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(Br)cc2)c1 409098830 MEHDBVKHHKLKIM-UDWIEESQSA-N 369.218 4.689 30 40 FJEB C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)CCC)c1ccnc2ccccc12 732514 OHNDQUSNRRCMEC-BPVRBSMNSA-N 364.489 4.516 30 40 FJEB CC(C)(C)c1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1 4882514 KAVFXHZUTAVTGA-JXAWBTAJSA-N 359.425 4.727 30 40 FJEB Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc2c(c1)CCCC2 9193285 FIMFFBXHLPYFIQ-UHFFFAOYSA-N 360.486 4.525 30 40 FJEB COc1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccccc2)cc1 18045885 DFZDPPDWNBRFEE-DARPEHSRSA-N 357.413 4.694 30 40 FJEB C[C@H](C#N)Oc1ccccc1NC(=O)c1[nH]c2ccc(F)cc2c1Cl 96004140 VWBWUIQYEWGRPE-SNVBAGLBSA-N 357.772 4.504 30 40 FJEB COc1c(F)c(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1F 408622706 QYVKSWDNWAUWBZ-UHFFFAOYSA-N 367.220 4.523 30 40 FJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(Cc4ccccc4)nc3c2)c1 859605 DPDHCMQXDNFQIY-LPYMAVHISA-N 373.368 4.783 30 40 FJEB Cc1cccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1 1223963 URCHGOJTHZIJOY-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB O=C(Nc1nc(-c2ccccc2)cs1)C(F)(F)C(F)(F)C(F)(F)F 2741684 FOXWFJJECDTNNS-UHFFFAOYSA-N 372.265 4.582 30 40 FJEB O=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)OC(F)(F)F 3151293 FRHCQSBLZIFEKX-UHFFFAOYSA-N 374.039 4.696 30 40 FJEB O=C(Cc1ccccc1)Nc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 5374212 GGRYSJXBZFTWAP-OVCLIPMQSA-N 359.400 4.903 30 40 FJEB N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCCC2)cc1 8165706 HDPODGHTDIUNMY-UHFFFAOYSA-N 353.853 4.844 30 40 FJEB CC[C@H]1S/C(=N/N=C(\C)c2ccccc2)N(c2ccc(C)cc2)C1=O 12419072 KMSWGRSAOVGMGM-LFKWTMBYSA-N 351.475 4.634 30 40 FJEB Fc1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19825855 PHGXAPZNARQDQD-LGUFXXKBSA-N 373.475 4.567 30 40 FJEB C#Cc1cccc(NC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)c1 95957905 TUTWBXITOMBTIY-PKNBQFBNSA-N 358.372 4.646 30 40 FJEB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCCCCC1 225852738 GAQUDMQHMHWFFA-UHFFFAOYSA-N 358.482 4.804 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1F 408707968 UAYMUHTYCHTFAO-UHFFFAOYSA-N 368.468 4.940 30 40 FJEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)c1 408849960 BSPRBVHMAROFCB-ZHZULCJRSA-N 373.481 4.986 30 40 FJEB Cc1ccc(/N=C2\NC[C@@H](Cc3ccc(Br)cc3)S2)cc1 853015 KTKSHXRVVYJJPI-MRXNPFEDSA-N 361.308 4.693 30 40 FJEB C/C(O)=N/c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 2252854 KIIVZUJOKGVCAL-KRWDZBQOSA-N 365.824 4.595 30 40 FJEB CN(C)c1ccc(/C=C2/S/C(=N/c3ccc4ccccc4c3)NC2=O)cc1 6388411 MUJGHSONBGIOOH-DEDYPNTBSA-N 373.481 4.797 30 40 FJEB N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccs1 7985324 JFDJKDDWTBGJAR-UHFFFAOYSA-N 350.468 4.701 30 40 FJEB O/N=C(/c1ccccc1)c1ccc2c(Br)ccc3c2c1CC3 104128321 WMMBKSROIVZPRM-VZCXRCSSSA-N 352.231 4.928 30 40 FJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/OCc2ccccc2C#N)o1 408590128 GEYSTPXBVBCQRH-WSDLNYQXSA-N 361.357 4.586 30 40 FJEB Cc1[nH]c2ccccc2c1/C=N/c1ccc([N+](=O)[O-])cc1Br 4604003 RJOLSVDIGWSZDJ-GIJQJNRQSA-N 358.195 4.898 30 40 FJEB C=CCn1c(S[C@@H](C#N)Cc2ccccc2)nnc1C1CCCCC1 7780181 OMRZRDSTBRKITD-GOSISDBHSA-N 352.507 4.739 30 40 FJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\OCc2ccccc2)c1C 15228793 ROVMLFKHAZDBHC-QRVIBDJDSA-N 362.429 4.651 30 40 FJEB C=C[C@@]12CCC[C@@H]1N(Cc1ccccc1)[C@H](P(=O)(OCC)OCC)O2 212418958 SZHITIQZSDZKPP-GBESFXJTSA-N 365.410 4.546 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)SC1=S 408814292 FNEJIPVEKZOUOF-BOPFTXTBSA-N 369.467 4.536 30 40 FJEB C=CCOc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 8049619 QHOCMJDKSQXSPB-UHFFFAOYSA-N 361.894 4.568 30 40 FJEB N#Cc1ccc(F)c(CN[C@H](c2cccc(Cl)c2)c2ccccn2)c1 84609852 NHTADHLLIQHETB-HXUWFJFHSA-N 351.812 4.625 30 40 FJEB COc1ccc(/N=C(/c2ccccc2)C2C(=O)c3ccccc3C2=O)cc1 104223468 URCSFONMRRNPNI-FLFQWRMESA-N 355.393 4.511 30 40 FJEB C=CCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 226318975 BYSORBRWXGXISY-UHFFFAOYSA-N 367.228 4.924 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)NC[C@@H](C)c1ccccc1 408708403 ZEEHWLVVYOAHRN-HXUWFJFHSA-N 374.569 4.943 30 40 FJEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1CC 408929826 OPMARSNJWIDIKU-LMDBJESCSA-N 371.481 4.545 30 40 FJEB O=C1/C(=C/c2ccn(C(F)F)n2)CCCc2cc(Br)ccc21 585082996 PKXXKALSUBODRD-PKNBQFBNSA-N 367.193 4.643 30 40 FJEB COC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)cc1 7939550 DMBIYPHAYGCYFE-ACCUITESSA-N 362.381 4.638 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCC4=CCCCC4)[C@H]3C[C@H]12 12659729 VPTHFEXYJFCRLI-AIDNLNPPSA-N 357.538 4.781 30 40 FJEB biogenic C=CCc1cc(/C=N/c2cccc(Cl)c2C)cc(OC)c1OCC(=O)O 59248663 HNTUJBIWGUVBBM-SSDVNMTOSA-N 373.836 4.600 30 40 FJEB C=CCO/N=C(/CCC)C1/C(=N\OCC)CC(C)(C)C/C1=N\OCC 100906454 VVKYCMXPCMOVKQ-SSBNOYMGSA-N 351.491 4.566 30 40 FJEB O=[N+]([O-])c1ccc(CO/N=C(\c2ccccn2)[C@H]2C[C@@H]2c2ccccc2)cc1 1389505 CGFJLRZHILVUBX-IPNNPURTSA-N 373.412 4.714 30 40 FJEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 4738835 UPISYLCCIGIEQU-LPYMAVHISA-N 361.401 4.956 30 40 FJEB COc1ccc(/C=C/C(C)=N/NC(=S)Nc2ccc(Cl)cc2)cc1 8655837 KQMTYAWBTIHDOH-WYYKBDRYSA-N 359.882 4.724 30 40 FJEB CC[C@H](C)Nc1oc(-c2ccc(COc3ccc(C)cc3)o2)nc1C#N 8844484 HNKIARIHGBKOJZ-AWEZNQCLSA-N 351.406 4.904 30 40 FJEB Cc1nn(-c2ccccc2)c2nc3c(cc(C#N)c4nc5ccccc5n43)cc12 12559271 IXNFAWRYBFUXCD-UHFFFAOYSA-N 374.407 4.555 30 40 FJEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 13653858 NMJSIPGGMKDHHH-WQRHYEAKSA-N 371.820 4.797 30 40 FJEB C=CCn1c(SCc2ccccc2C)nc2c([nH]c3ccccc32)c1=O 17135906 TYEQUXHPHXTCDL-UHFFFAOYSA-N 361.470 4.665 30 40 FJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cccc2ccccc12 20012987 MEXQCNKWIKPYSV-OAHLLOKOSA-N 369.424 4.895 30 40 FJEB N#Cc1cccc(CSc2nnc(-c3ccc(Br)cc3)o2)c1 21146992 VNDGSFDQKYGQDY-UHFFFAOYSA-N 372.247 4.663 30 40 FJEB CCCCCCC[C@@H](CC(=O)O)OC(=O)C[C@H](O)CCCCCCC 87527746 ZFPAFAWFRTWCSK-MSOLQXFVSA-N 358.519 4.845 30 40 FJEB biogenic,in-vitro CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C#N 225854613 KNLIGNCYDBPPJJ-KKSFZXQISA-N 358.482 4.661 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 408536246 YWYIREUJPZSDGK-QGOAFFKASA-N 367.495 4.653 30 40 FJEB Cc1ccc(C)c(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1 4849045 BVQNLFMVXCJMKK-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB Cc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12465954 RFYNERGQWHJBKU-ITYLOYPMSA-N 367.496 4.717 30 40 FJEB COc1cccc(/C=N/c2nc3c(s2)CCc2cc(OC)ccc2-3)c1 59459287 ZMRXBEZXWORPBW-CIAFOILYSA-N 350.443 4.677 30 40 FJEB C=CCOc1c(Cl)cc(/C=C2\C(=O)Nc3ccccc32)cc1OCC 409121667 VMIBWYBQNXQDPN-GDNBJRDFSA-N 355.821 4.796 30 40 FJEB COC(=O)C[C@H](C/C(C)=N/O)c1cn(Cc2ccccc2)c2ccccc12 4733466 HQRNKAHCCNGZID-RPNTZMPASA-N 364.445 4.577 30 40 FJEB COC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 6521078 OFUAAJMQFPQPSA-HNNXBMFYSA-N 374.465 4.941 30 40 FJEB C/C(=N\NC(=S)Nc1ccccc1F)c1cccc(C(F)(F)F)c1 7988317 PABAZDDUHFHMIU-LSHDLFTRSA-N 355.360 4.555 30 40 FJEB COc1ccc(/C=C(\C(=O)c2cccnc2)c2nc3ccccc3o2)cc1 27023955 IPVAWRDISFXLSA-QGOAFFKASA-N 356.381 4.655 30 40 FJEB O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc(F)c(F)c1 58381505 RBHZTAOUQZOQFO-CSKARUKUSA-N 351.352 4.835 30 40 FJEB CCOc1cc(C#N)cc(Cl)c1OCc1cccc(Br)c1 226326020 PUXYIQAJURTEOH-UHFFFAOYSA-N 366.642 4.952 30 40 FJEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(C(=O)OCC(C)C)cc1)C2 702390 PIEDCAONCSKOEF-JTSKRJEESA-N 355.478 4.820 30 40 FJEB CC(C)[C@](O)(CC#CCN1C[C@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1 2101269 MNBYKMIRWHPDPD-GMKZXUHWSA-N 353.550 4.824 30 40 FJEB biogenic C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 4385007 QNUXWJMUCBQOAB-OAHLLOKOSA-N 365.864 4.786 30 40 FJEB N#Cc1ccc(NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1 4590189 JVUGZSKWTCOSCO-UHFFFAOYSA-N 369.424 4.642 30 40 FJEB N#Cc1ccccc1COc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1 6338270 PMOWJIQVXMKNAM-JOCHJYFZSA-N 371.465 4.834 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCC4=CCCCC4)[C@H]3C[C@@H]12 12659728 VPTHFEXYJFCRLI-DLBZZEGUSA-N 357.538 4.781 30 40 FJEB biogenic C[N+]1(C)C/C(=C/C=C\c2ccccc2)C(=O)/C(=C\C=C/c2ccccc2)C1 17197520 BWGCJHMLEDGPST-JJGIKRFZSA-N 356.489 4.925 30 40 FJEB COc1ccc2cc(/C(C)=N/N=c3/sc4ccccc4n3C)ccc2c1 33445682 VVLDAOSMMAVVRG-ROAQJCPQSA-N 361.470 4.727 30 40 FJEB C=CCOc1ccc(CN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 58157803 KHHQMEORAWVOJD-UHFFFAOYSA-N 363.457 4.607 30 40 FJEB C#CCOc1ccc(CNc2ccc(Br)cc2C)cc1OCC 408609316 MXSCYRCOMRWTIR-UHFFFAOYSA-N 374.278 4.780 30 40 FJEB COc1ccc(/C=C(/C(=O)Nc2ccc(CC#N)cc2)c2ccccc2)cc1 408907819 SSCRSCNXULZULU-HAVVHWLPSA-N 368.436 4.941 30 40 FJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1 408911653 BBPAZAWTLSPVHB-KEBDBYFISA-N 350.330 4.643 30 40 FJEB CN(C)c1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408960387 LHMPSPBIGTZKEA-IWIPYMOSSA-N 374.440 4.780 30 40 FJEB C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 1536540763 AMEAIFVDKYWZTK-BTYIYWSLSA-N 371.402 4.887 30 40 FJEB C[C@H](Nc1oc(COc2ccccc2Cl)nc1C#N)c1ccccc1 2195648 CHWKEQSXDZHDEW-ZDUSSCGKSA-N 353.809 4.952 30 40 FJEB Cc1ccc(Oc2ccc(OCC(=O)Oc3ccc(C#N)cc3)cc2)cc1 4071677 ZZJCACMOKDPVOV-UHFFFAOYSA-N 359.381 4.643 30 40 FJEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N/N=C/c1ccc(Cl)cc1 4898444 NTCGKDFEOMGGGM-QAEBVTEASA-N 371.893 4.502 30 40 FJEB COc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1Cl 5279663 ZPBGIDQKODNTDI-UHFFFAOYSA-N 369.833 4.596 30 40 FJEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1cccc(C(=O)O)c1 5552618 XQLWUFCDTVCONH-WCWDXBQESA-N 361.405 4.742 30 40 FJEB COc1ccc(/C=C\C(C)=N\NC(=S)Nc2ccc(Cl)cc2)cc1 5664533 KQMTYAWBTIHDOH-BMKWKCGBSA-N 359.882 4.724 30 40 FJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc2ncccc2c1 5692753 GYRMUYQQJDZIMR-LSHDLFTRSA-N 360.295 4.608 30 40 FJEB O=[N+]([O-])c1ccccc1/C=N/Nc1nnc(-c2ccccc2)c2ccccc12 6283240 YTEYLGGNBSQTHD-HYARGMPZSA-N 369.384 4.651 30 40 FJEB COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1OC 7747437 NACLMRJZCRFVIM-UKTHLTGXSA-N 354.446 4.906 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@H]2c1c[nH]c2ccccc12 18244365 RQAZTPQQFNHWAX-FQEVSTJZSA-N 358.445 4.785 30 40 FJEB O=C1/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)N2CCC1CC2 39319315 OKBRADFDTTZCJB-NDENLUEZSA-N 371.839 4.694 30 40 FJEB COc1cc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)ccc1O 59461364 ODHMODHQVHTDJX-HLNVMSFQSA-N 368.414 4.591 30 40 FJEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 225932188 UQBLTZNOIPFRRR-UHFFFAOYSA-N 356.853 4.750 30 40 FJEB COC(=O)CCC#CCCCCCCCCCCC#CCCC(=O)OC 261829798 QQGCEDKDAGOECX-UHFFFAOYSA-N 362.510 4.801 30 40 FJEB CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408986944 NWDLPKWVRWTKNY-NVNXTCNLSA-N 362.212 4.889 30 40 FJEB Cc1ccccc1/N=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409201352 LRZUMVWGKFVDMP-QNGOZBTKSA-N 351.427 4.513 30 40 FJEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C=O 4427128 SGHGOYDALDCQEW-HVJHZFLKSA-N 358.478 4.977 30 40 FJEB biogenic CC(/C=N\n1c(S)nnc1-c1ccc(Cl)cc1)=C\c1ccccc1 4679931 KFFLDGCWIGVHPU-VKBYYTARSA-N 354.866 4.825 30 40 FJEB CCCn1c(/N=C/c2c(C)nn(-c3ccc(C)cc3)c2O)nc2ccccc21 6391629 MLVJILPKGYLUOW-OEAKJJBVSA-N 373.460 4.705 30 40 FJEB Oc1ccc(Br)cc1/C=N/c1ccc(F)cc1Br 44835856 UKMPAMCEHFYZGS-REZTVBANSA-N 373.019 4.807 30 40 FJEB Oc1ccc(Br)cc1/C=N/Cc1cccc(Br)c1 57411925 WBXAPMSEJWKSCQ-RQZCQDPDSA-N 369.056 4.536 30 40 FJEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1 105017376 ZDZXRXSDSLVXQS-GFMRDNFCSA-N 361.832 4.703 30 40 FJEB N#CCc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 116390021 YUOCBRQUFZQSSL-UHFFFAOYSA-N 367.452 4.568 30 40 FJEB COc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408814190 OFJMIDFTEGVUAW-IWIPYMOSSA-N 374.440 4.772 30 40 FJEB O=C(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1 1083811014 MFHIFIDXFDJUON-UHFFFAOYSA-N 368.195 4.907 30 40 FJEB CC(C)c1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 711692 HRCLTDBANHSOGF-UHFFFAOYSA-N 351.413 4.603 30 40 FJEB Cc1ccc(-c2cc(C#N)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2)cc1 3133749 KZSMWDNIVGGTHI-UHFFFAOYSA-N 368.358 4.763 30 40 FJEB CCCCCCC[C@@]1(C)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 102792069 ROZMWHGTJXBTOR-OAQYLSRUSA-N 369.465 4.513 30 40 FJEB CCCCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OCC 2088226 LEYADMSDVYXTFR-UHFFFAOYSA-N 350.414 4.727 30 40 FJEB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 8316598 PSYNVKFHFUGDDA-QGZVFWFLSA-N 360.482 4.893 30 40 FJEB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cccc(C#N)c2)cc1 10950285 RRNQFUCGOGIUGH-QFIPXVFZSA-N 353.425 4.633 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(F)cc1 20169441 WMOBLWOSLUGWMX-FPOVZHCZSA-N 373.427 4.868 30 40 FJEB CCCCCCCCN1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 70687742 IWBHULJWASTZFA-QFIPXVFZSA-N 367.493 4.564 30 40 FJEB biogenic O=[N+]([O-])c1ccc(N/N=C2/CCC[C@H]([C@H]3C[C@@H]4CC[C@@H]3C4)C2)c([N+](=O)[O-])c1 101646175 WTOSTGMJQPXDNC-FUHJTPKTSA-N 372.425 4.897 30 40 FJEB C=C(C)COc1cccc(C(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)c1 219791123 VDVUFQOKQQHAHS-UHFFFAOYSA-N 373.836 4.724 30 40 FJEB C(=N/Nc1nncc2ccccc12)\c1cccc(OCc2ccccc2)c1 5868047 QKDHFXUZASNBEO-OEAKJJBVSA-N 354.413 4.655 30 40 FJEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(F)cc2)cc1 12401135 NOPGTYGHUFTPRW-MTJSOVHGSA-N 354.454 4.926 30 40 FJEB CCCOc1c(/C=C/C(=O)c2ccc(OCC#N)cc2)cccc1OCC 15352594 QAABLMCQVDZYOS-JLHYYAGUSA-N 365.429 4.673 30 40 FJEB C=CCOc1ccc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)cc1 17920616 NANRCBCLQBONCO-UYRXBGFRSA-N 364.470 4.760 30 40 FJEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2c(Cl)cccc21 46085022 CVKUTBIOQHJJMY-QOCHGBHMSA-N 372.852 4.634 30 40 FJEB C=CCNC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 224213530 NJVOGSFFYKHIKM-UHFFFAOYSA-N 373.452 4.857 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccccc3C)S2)cc1 408964412 GTPIXOMOYGQAFQ-XSFVSMFZSA-N 373.481 4.986 30 40 FJEB CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1 409230531 FDAUQYSJCIIYFT-CSUZIONRSA-N 352.478 4.796 30 40 FJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2)cc1 4795095 WLSCTGNIHVFNRV-RCCKNPSSSA-N 350.443 4.546 30 40 FJEB Cc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2C)c(Cl)c1 6668238 AVAWXVNILLVFTH-UHFFFAOYSA-N 354.866 4.608 30 40 FJEB CN(C/C(O)=N/c1ccc2c(c1)OC1(CCCCC1)O2)Cc1cccs1 82089508 BLAAFMRXNCNZBT-UHFFFAOYSA-N 372.490 4.900 30 40 FJEB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c(C#N)c1 225841235 KXICGWVYGPJYGZ-OAQYLSRUSA-N 360.498 4.907 30 40 FJEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N\n1c(S)nnc1-c1ccccc1Cl 229830770 OGOGUNCUNDDLJR-VTRSUIGVSA-N 358.898 4.714 30 40 FJEB C=CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br 408605585 GCLHHRQVQXIRHP-UHFFFAOYSA-N 363.211 4.534 30 40 FJEB Cc1c(C(=O)Nc2cccc(F)c2C#N)oc2cc(Br)ccc12 526052299 UWWNEUDOHOITHU-UHFFFAOYSA-N 373.181 4.767 30 40 FJEB N#C[C@@H](C(=O)CCc1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl 644814 GNICEOOJBOLCHC-NSHDSACASA-N 358.228 4.679 30 40 FJEB CC(C)(C)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 1780588 WDAJCLNRZQLUDS-LPYMAVHISA-N 350.491 4.750 30 40 FJEB CSc1ccc(/C=C/C(=O)Nc2ccc(C#N)cc2C(F)(F)F)cc1 9154175 OERSGNBATSHMOP-WEVVVXLNSA-N 362.376 4.951 30 40 FJEB COc1cc(OC)c(/C=N/NCc2c(Cl)cccc2Cl)cc1Cl 9196381 XVKGSVJIVIQQFQ-DNTJNYDQSA-N 373.667 4.788 30 40 FJEB Oc1ccc(/C=N/c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(O)c1 27988379 GMAKLTFSCAEUBS-UFFVCSGVSA-N 354.475 4.773 30 40 FJEB COc1cc(/C=C2/CCc3c(C)cc(C)cc3C2=O)cc(OC)c1OC 33466962 YTIXFRBSHWGZLF-YBEGLDIGSA-N 352.430 4.542 30 40 FJEB C#Cc1cccc(NC(=S)NCC2(c3cccc(C(F)(F)F)c3)CC2)c1 72296324 RIEKHBOKYRRYCE-UHFFFAOYSA-N 374.431 4.705 30 40 FJEB C/N=C1\S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C(=O)N1C 223555337 VUIWQEWNYGYXGA-RYLJXJNCSA-N 371.550 4.719 30 40 FJEB C=C(C)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=N/O)C[C@H]12 4974426 YQICTZDGXWUAOK-WMHLESJYSA-N 353.462 4.507 30 40 FJEB in-vitro Cc1ccsc1[C@@H]1C2=C(CCCC2=O)Nc2c1c(C)nn2C(C)(C)C 5411816 OYJMFJNTZGVQHY-KRWDZBQOSA-N 355.507 4.881 30 40 FJEB COc1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1Cl 409244370 BOZMOIDCXYUNCG-CIAFOILYSA-N 354.793 4.588 30 40 FJEB C/C(=C/N1CCN(c2ccc(Cl)cc2)[C@@H](C)C1)C(=O)c1ccccc1 1562740 ARDCRVXWCKCOQA-WAIALKQBSA-N 354.881 4.637 30 40 FJEB C=CCn1c(SCc2cccc(F)c2)nc2sc(C)c(C)c2c1=O 2373226 RZRSAQBKFAKERJ-UHFFFAOYSA-N 360.479 4.692 30 40 FJEB O=c1oc2ccccc2cc1-c1csc(N/N=C/[C@@H]2CC=CCC2)n1 4807584 UGHGKIWJIWQYMO-AYPRBGQRSA-N 351.431 4.671 30 40 FJEB CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1 13688907 OBRLLBBOCJNCAN-QGZVFWFLSA-N 354.475 4.906 30 40 FJEB COc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(C)cc3C)n2)cc1 38205585 WUNNZBRWCDQDFQ-HKOYGPOVSA-N 362.458 4.775 30 40 FJEB COc1cccc(NC2=C(c3ccc4c(c3)OCO4)C(=O)c3ccccc32)c1 100937637 IIKQZSQSLYKOEY-UHFFFAOYSA-N 371.392 4.601 30 40 FJEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccccc1 409276367 QFQKMHRDBSANHQ-UHFFFAOYSA-N 365.392 4.692 30 40 FJEB Cc1ccc(C(=O)Nc2sc(CC#N)nc2-c2ccc(F)cc2)cc1 936616 JAZRVNJJEZRWKD-UHFFFAOYSA-N 351.406 4.576 30 40 FJEB COc1cc(CSc2nc(C)c(C)c(C)c2C#N)ccc1OC(F)F 7223789 XWQCBUVTCRHRDN-UHFFFAOYSA-N 364.417 4.781 30 40 FJEB Cc1cc(/C=C2\S/C(=N/c3c(C)cccc3C)NC2=O)cc(C)c1O 32788779 FGYMVJAAPHPHIE-YBEGLDIGSA-N 352.459 4.517 30 40 FJEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)c1 59679583 VZGXQCOMWCGDQO-RGEXLXHISA-N 359.454 4.677 30 40 FJEB CCOc1cc(/C=C2/CSc3c(F)cccc3C2=O)cc(Cl)c1O 96925171 XGGMJLAMAXIANC-WDZFZDKYSA-N 364.825 4.955 30 40 FJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 226760343 QBEWGDDMXBQSNL-HXUWFJFHSA-N 367.489 4.515 30 40 FJEB CCCCc1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409241060 WVBCEVPSARISID-QQHUYRGFSA-N 355.434 4.640 30 40 FJEB CC(C)Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(OC(C)C)c1 6345651 YHHAPROFKYUQMY-CIAFOILYSA-N 352.438 4.583 30 40 FJEB Cc1ccc(C[C@@H](C#N)Sc2nc(C3CC3)n(-c3ccccc3)n2)cc1 7435923 VWWBCKKGFAVNCX-IBGZPJMESA-N 360.486 4.680 30 40 FJEB N#CCCN(Cc1cccnc1)C(=O)c1sc2cc(F)ccc2c1Cl 12514914 XQHUSYUIJQEZAK-UHFFFAOYSA-N 373.840 4.645 30 40 FJEB Cc1s/c(=N\N=C\c2c(O)ccc3ccccc23)[nH]c1-c1ccccc1 59193840 OASWRVHNNNMGHW-LPYMAVHISA-N 359.454 4.845 30 40 FJEB Cc1ccccc1N1C(=O)C[C@]1(C#N)c1ccc(OCc2ccccc2)cc1 2379007 VZMIIORKWBRYQO-DEOSSOPVSA-N 368.436 4.730 30 40 FJEB aggregator CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 8362899 MIWRKRRUOIYDPH-BIXZQSIESA-N 352.459 4.628 30 40 FJEB CCOc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 28250298 UJZAFLXCXJYDFL-AWEZNQCLSA-N 368.502 4.715 30 40 FJEB COc1cc(/C=C/C(=O)c2cc(Cl)c(N)c(Cl)c2)cc(Cl)c1O 95440590 HJHNGAZGICKKLX-NSCUHMNNSA-N 372.635 4.839 30 40 FJEB CC/C(=N/CC/N=C(\CC)c1cc(C)ccc1O)c1cc(C)ccc1O 104234034 IEEGTJOOPSZWJO-KDMDJZHMSA-N 352.478 4.813 30 40 FJEB C=CCOc1cccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225791506 PCKWTGYILUPDIJ-KRWDZBQOSA-N 370.518 4.622 30 40 FJEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Br)cc1C 409107771 SYTVVUKJXQUXEP-BKUYFWCQSA-N 373.294 4.653 30 40 FJEB C#CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1OC 409115262 LHUAZORCACJADB-UHFFFAOYSA-N 374.278 4.644 30 40 FJEB CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 2062923 NJVAZMZMMNQHBF-UHFFFAOYSA-N 371.477 4.743 30 40 FJEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3ccccc3Cl)ccc21 5163459 IRSDEHUWUWRNFH-JMIUGGIZSA-N 363.800 4.930 30 40 FJEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(O)cc1 5376354 MGJOJBLBCWZTAI-AUWJEWJLSA-N 365.241 4.591 30 40 FJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 11914461 AEUHGWDTEAKJIK-IBGZPJMESA-N 367.420 4.513 30 40 FJEB Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1 33528508 JKTGQXNMSSHRRX-UHFFFAOYSA-N 364.246 4.940 30 40 FJEB O=C(Nc1cc(Cl)cc(Cl)c1)O[C@H]1C[C@@H]2CC[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 101021541 GNZAXJFAMVXBKI-QEBVPHKHSA-N 368.260 4.744 30 40 FJEB Cc1cc(C)n(/C(=N\c2ccc(Br)cc2)c2ccccc2)n1 101636906 LUPPCEHNOIHKCA-ZZEZOPTASA-N 354.251 4.889 30 40 FJEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C\C=C/N(C)C)C[C@@H]12 104227346 OZHKGIPTPIFKOA-IUXDKFLMSA-N 365.517 4.732 30 40 FJEB O=C(O)COc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1Cl 408851722 NCQQSESSPDBWQY-GXHLCREISA-N 358.608 4.861 30 40 FJEB C[C@@H]1CCCC/C1=N\Nc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 4593044 UITJXZIZOUPSRP-PFKVCDDJSA-N 366.421 4.825 30 40 FJEB COc1cccc(-c2csc(/C(C#N)=N\Nc3ccc(Cl)cc3)n2)c1 4995871 SZOSQNUXFQLBEE-KQWNVCNZSA-N 368.849 4.812 30 40 FJEB N#Cc1cccc(CSc2nnc(-c3cccc(Br)c3)o2)c1 5148288 YILGKUGBOVTKKD-UHFFFAOYSA-N 372.247 4.663 30 40 FJEB CCCCCCCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)O 59048046 SRHSPJGTSWHUTH-MOPGFXCFSA-N 369.546 4.514 30 40 FJEB Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)c1 59417080 FKNHDPFOQWFASP-OEAKJJBVSA-N 370.412 4.537 30 40 FJEB CC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103537689 TVUYDMUUUVSPGO-UHFFFAOYSA-N 364.101 4.719 30 40 FJEB Cc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)cc(C)c1O 105966461 PXPJBIXHTANGLK-NVNXTCNLSA-N 358.850 4.554 30 40 FJEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 219640420 GIPUIRZZJJUAKI-UHFFFAOYSA-N 357.409 4.735 30 40 FJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(CC)cc1 4918818 SVVGENASNDJHSL-PXNSSMCTSA-N 354.471 4.630 30 40 FJEB C=CCSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 7594422 HLQTTYSAWDPDJE-UHFFFAOYSA-N 353.472 4.736 30 40 FJEB N#Cc1ccc(-c2cccnc2)nc1SCCC(=O)c1ccc(F)cc1 19853618 FUKRNQGGUQVXPW-UHFFFAOYSA-N 363.417 4.519 30 40 FJEB CC/N=C1\S/C(=C\c2c(OCC)ccc3ccccc23)C(=O)N1CC 59104677 SKQYRDDTINTFBX-PQDITWEDSA-N 354.475 4.551 30 40 FJEB O=C(/C(=C(\O)c1ccccc1)[n+]1ccc2ccccc2c1)c1ccccc1 100461624 QXQFLINFPGWSIH-UHFFFAOYSA-O 352.413 4.894 30 40 FJEB aggregator N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1 225854525 ZZLFVGYBXJTGLT-UHFFFAOYSA-N 356.256 4.888 30 40 FJEB COc1ccccc1Oc1c(N)cc(C#N)n1Cc1cccc2ccccc12 225883635 SCEVBYFNRZTAPX-UHFFFAOYSA-N 369.424 4.944 30 40 FJEB C=CCc1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1OC 408705339 CNXXNAXRLWEYTI-UHFFFAOYSA-N 361.894 4.599 30 40 FJEB COC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 670851 WFTFWNRHDCGONM-UHFFFAOYSA-N 366.467 4.614 30 40 FJEB Cc1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1C 4550962 AHLRWHSVZOCGNV-UHFFFAOYSA-N 356.425 4.837 30 40 FJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1c(F)cccc1Cl 5426409 KYVAVXNLHXDIKA-IFRROFPPSA-N 361.682 4.852 30 40 FJEB C#CCOc1ccc(CNc2ccc(Cl)cc2)cc1Br 6295407 KUJPCQBOZLXVBN-UHFFFAOYSA-N 350.643 4.727 30 40 FJEB C=C(C)COc1cccc(C(=O)NCCSc2ccc(Cl)cc2)c1 219777408 XGIFKOYRAHIKMA-UHFFFAOYSA-N 361.894 4.817 30 40 FJEB CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@H](C)C1 225833326 PHFDMQYKMAROEU-HRAATJIYSA-N 358.482 4.517 30 40 FJEB Cc1cc(/C=N/c2ccc(O)c(C(=O)O)c2)c(C)n1-c1ccc(Cl)cc1 408737468 BCPNAAMGKDTDMT-SSDVNMTOSA-N 368.820 4.902 30 40 FJEB CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)o1 408815445 HRPXTTAOGSNKAM-ATVHPVEESA-N 369.490 4.634 30 40 FJEB C=C1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 1250166 HAXTUDYYZJROKR-RPWUZVMVSA-N 366.484 4.971 30 40 FJEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 6653002 CARPNOOHEFODBZ-MRXNPFEDSA-N 358.397 4.757 30 40 FJEB C[C@@H](/C(=N\Nc1ccccc1)c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc21 73417627 QFIOQZMUCYTKEW-RYGQGHFVSA-N 372.424 4.547 30 40 FJEB CCOc1ccc(/C=N\c2ccccc2F)cc1I 408905139 UFMBAQXSFKUTJD-ZDLGFXPLSA-N 369.177 4.580 30 40 FJEB C/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1C 408930256 URYPKIYPXQURCK-UOWSXMIYSA-N 367.257 4.785 30 40 FJEB COc1cc(N2CCOCC2)ccc1/C=N\c1cccc(Cl)c1Cl 409234360 VWIWYEVQCCEAGR-MTJSOVHGSA-N 365.260 4.589 30 40 FJEB O=C1CCCC2=C1c1ccc3ccccc3c1N[C@@H]2c1ccc(O)c(O)c1 689174 VJKCMOAIJJGTOD-JOCHJYFZSA-N 357.409 4.924 30 40 FJEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Cl 1262308 UNHUFDQCHLKOPF-SNVBAGLBSA-N 360.866 4.659 30 40 FJEB CCOC(=O)/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(C)=O 3066874 VIOZQCFEGKCILB-UKTHLTGXSA-N 353.201 4.789 30 40 FJEB COc1ccc(C(=O)/C=C/c2ccc(Br)cc2F)cc1OC 6341235 PSPZWFSNIHXOJN-QPJJXVBHSA-N 365.198 4.502 30 40 FJEB C[C@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1cccc(C#N)c1 6784661 DETIUOSYBJNWHY-AWEZNQCLSA-N 356.381 4.864 30 40 FJEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(C)c(C)c2)NC1=O 8412821 MZTWKUPEGZXKJH-UYRXBGFRSA-N 364.470 4.760 30 40 FJEB COc1ccc(C(=O)/C=C/c2cccc3cccnc23)cc1Br 25045758 JIOXOXDLKJZUCX-VQHVLOKHSA-N 368.230 4.902 30 40 FJEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1Cc1ccccc1Cl 225854274 BGIHBDYYVNBTAX-UHFFFAOYSA-N 356.256 4.888 30 40 FJEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408811097 QOJNFMDZMKTOOW-IWIPYMOSSA-N 374.440 4.772 30 40 FJEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409080823 OLLSJWYKQIUOFQ-BOPFTXTBSA-N 372.877 4.970 30 40 FJEB N#Cc1cc2c(cc1C#N)N(c1ccccc1)C(=O)c1ccccc1S2 4721810 BDYHNLMRDRLHAN-UHFFFAOYSA-N 353.406 4.873 30 40 FJEB COc1cccc(C(=O)/C=C/c2nc3ccccc3n2Cc2ccccc2)c1 26462691 KJSFYNYDUOGMAJ-CCEZHUSRSA-N 368.436 4.989 30 40 FJEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3C)n2)cc1 33011113 PQVXERUZWVKITO-UHFFFAOYSA-N 373.481 4.968 30 40 FJEB Cc1sc(NC(=O)c2ccc(COc3ccccc3F)o2)c(C#N)c1C 40129056 RBDZARRIZQQUBR-UHFFFAOYSA-N 370.405 4.800 30 40 FJEB Cc1ccc(-c2ccc(C(=O)n3cc(C#N)c4ccccc43)o2)c([N+](=O)[O-])c1 226361840 NAFMELOBSBKIDX-UHFFFAOYSA-N 371.352 4.678 30 40 FJEB CC(C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1 408906631 CNYGZMNAFVYCRV-QHHAONBESA-N 367.430 4.607 30 40 FJEB C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 537293137 ITYKBEMNHCULEM-IAGOWNOFSA-N 370.456 4.617 30 40 FJEB COc1cc(/C=N\c2cc(N)cc(-c3nc4ccccc4o3)c2)ccc1O 5335133 RCJKVDZWYGDIMV-FMCGGJTJSA-N 359.385 4.542 30 40 FJEB CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@](C)(C#N)CCC[C@@]21C 6761478 BELCZLRITOCYFD-HJNYFJLDSA-N 353.462 4.659 30 40 FJEB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccnc1 7739882 NDLKHXBFORVIFZ-BUHFOSPRSA-N 365.436 4.890 30 40 FJEB Cc1cc(C)nc(N/N=C/c2ccc(-c3ccccc3Br)o2)n1 14013582 AAGVJLZHBVUORK-VXLYETTFSA-N 371.238 4.562 30 40 FJEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3C(C)C)cc1 20737320 HVJQCCNUBABGNW-RDTXWAMCSA-N 352.434 4.558 30 40 FJEB COc1cc(/C=N\Nc2nccs2)ccc1OCc1ccc(Cl)cc1 31854322 OYCUIHUSKRAXPB-NHDPSOOVSA-N 373.865 4.830 30 40 FJEB COc1cc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)ccc1O 59461362 ODHMODHQVHTDJX-CPIJOOSUSA-N 368.414 4.591 30 40 FJEB CCC1([C@](O)(C#CCN(C)Cc2ccccc2)c2ccccc2)CCCC1 96194494 XXLBJUXYKDWFIV-VWLOTQADSA-N 361.529 4.980 30 40 FJEB C=CCOc1ccc(NC(=S)NC[C@H](CC)Cc2ccccc2)cc1 225633127 OWXIYUSGLZTVOV-QGZVFWFLSA-N 354.519 4.807 30 40 FJEB C#CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Br)o1 226256350 HOBJMYHPOKKUDJ-VMPITWQZSA-N 365.610 4.552 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O 409074130 SBARHYGZWUDZAU-CPNJWEJPSA-N 365.454 4.796 30 40 FJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCC3 1825409 LIQXWGNCOKISCP-UHFFFAOYSA-N 368.527 4.913 30 40 FJEB CC1(c2ccccc2)CC(/C(=N\OC[C@@H]2CO2)c2cc3ccccc3o2)C1 15230082 YUMBUCQVTMGBQL-IAASASNZSA-N 361.441 4.920 30 40 FJEB C/C(CC/C=C\c1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16927877 CAKTYKSNWCLKJV-IKEDHZNGSA-N 354.366 4.784 30 40 FJEB CCCCCCCn1c(CNC(=O)c2cccs2)nc2ccccc21 50704971 ZGYXNNHCWSAVCM-UHFFFAOYSA-N 355.507 4.998 30 40 FJEB CCCCCCCCCCOC(=O)N1C(=O)NC(=O)[C@H]1c1ccccc1 104136804 MPKPNUYTYIQPJX-QGZVFWFLSA-N 360.454 4.557 30 40 FJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3F)nc2c1 1354418 WNAFQVPEBPFAEH-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB O=C(/C(Br)=C/Nc1cc(Cl)cc(Cl)c1)C(F)(F)F 3216831 AEYFTAKYYPSBBC-YWEYNIOJSA-N 362.960 4.773 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccccn1 5137640 KRXVLRMJHHQDGV-QFIPXVFZSA-N 355.441 4.830 30 40 FJEB CCCCCCCC/C=C/CCCCCCCC(=O)OC(CO)CO 32840818 UPWGQKDVAURUGE-MDZDMXLPSA-N 356.547 4.920 30 40 FJEB in-vitro C=CCOc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1 408559545 VVBJOXPYPXOUHC-UHFFFAOYSA-N 363.211 4.534 30 40 FJEB Cc1ccc2c(c1)[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)CCC2 590452377 KQCIBRPLATZXBU-QGZVFWFLSA-N 359.256 4.981 30 40 FJEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 3400092 SUKVDMKSYXDZPM-UHFFFAOYSA-N 369.877 4.760 30 40 FJEB CCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 4660112 VYEBJMRZUNVDOH-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB O=C1/C(=C/c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)Oc2ccccc21 4720907 OUPIYWLOWVJIGA-JIDPPIHHSA-N 357.365 4.995 30 40 FJEB C=CCc1cc(C=O)cc(OC)c1OCc1ccc(Br)cc1 4739698 RPBAAKPAKAJKIY-UHFFFAOYSA-N 361.235 4.578 30 40 FJEB CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 5511802 VYEBJMRZUNVDOH-GZTJUZNOSA-N 372.877 4.939 30 40 FJEB C=CCNc1nnc(SCc2csc(-c3ccsc3)n2)s1 7816378 GDGMGMOMWJYWBO-UHFFFAOYSA-N 352.535 4.613 30 40 FJEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2cnn3C(C)C)cc1 9458415 XIMVOHHZCWIYGI-LJQANCHMSA-N 365.477 4.673 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 20533726 LQSXETYRUCFCQN-LPYMAVHISA-N 358.401 4.561 30 40 FJEB COc1ccc(C(=O)/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 26462807 CZSULMCZOKSEJZ-FOCLMDBBSA-N 368.436 4.989 30 40 FJEB CCCNc1c(/N=C(\O)Nc2cc(C)cc(C)c2)c(=O)oc2ccccc12 28048851 QYVCXRJFLSZPGP-UHFFFAOYSA-N 365.433 4.889 30 40 FJEB C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)CCC)c1ccnc2ccccc12 72111996 OHNDQUSNRRCMEC-ISFWSWAHSA-N 364.489 4.516 30 40 FJEB CCCc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1 3909016 ICVKMSKXKWSWAD-GFCCVEGCSA-N 371.506 4.964 30 40 FJEB COc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccccc2)cc1Cl 6414836 UXWFALGSFZTWBU-GFCCVEGCSA-N 370.865 4.600 30 40 FJEB CCOc1ccccc1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O 408866586 HAIHAQXTLVPRPC-YVLHZVERSA-N 372.877 4.939 30 40 FJEB C=CCSc1nc2c(c(=O)n1CC)C1(CCCC1)Cc1ccccc1-2 2197085 BMJKIOJPVVPADX-UHFFFAOYSA-N 352.503 4.576 30 40 FJEB biogenic N#Cc1cccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 40143487 UQUICJGCYMKBNV-UHFFFAOYSA-N 374.625 4.708 30 40 FJEB C=CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103546892 AHCUQVDBLDBWQJ-UHFFFAOYSA-N 372.149 4.631 30 40 FJEB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@H](C)C1 225855223 PISWEQCHYDRZAG-HRAATJIYSA-N 358.482 4.659 30 40 FJEB COc1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1 409055608 ZUFCGNCHTKOWTL-UZYVYHOESA-N 351.427 4.561 30 40 FJEB CCCCC[C@H](CN(C)C)C(=O)/C=C/c1ccc(Br)cc1 1574752 RIWMHWKZNAZBPC-QSOAKEGCSA-N 352.316 4.790 30 40 FJEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 8184042 VWNYBEHLAFBOGE-INIZCTEOSA-N 372.424 4.640 30 40 FJEB COc1ccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)cc1OC 12662192 OLDVCVUIKQUWPR-MTJSOVHGSA-N 366.413 4.665 30 40 FJEB biogenic Oc1cc(Br)ccc1/C=N\c1ccc(N2CCCCC2)cc1 17858074 USJAQHQDLYPMHB-MOSHPQCFSA-N 359.267 4.896 30 40 FJEB C=CCSc1nc(N)c(C#N)c(-c2ccc(OCCCC)cc2)c1C#N 20840796 ZBPMMUMQACHSEZ-UHFFFAOYSA-N 364.474 4.531 30 40 FJEB Cc1nc(COc2ccc(/C=C/C(=O)c3ccc(Cl)s3)cc2)no1 60085562 RGXDENGHBWLAIN-QPJJXVBHSA-N 360.822 4.568 30 40 FJEB CCOC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@@H](C)C2 100553380 IJZIORKAHWSXBC-CYGNYLSHSA-N 370.518 4.866 30 40 FJEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl 782893 KTAKCPOZJGVXEG-UHFFFAOYSA-N 360.866 4.803 30 40 FJEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1cccc2ccccc12 2234950 IOHVZVQASPCBFA-MTJSOVHGSA-N 364.861 4.923 30 40 FJEB O=C(Nc1cc(Cl)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)F 2312811 UFJLYZKVFUIJGQ-UHFFFAOYSA-N 358.040 4.765 30 40 FJEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C1=O 4704769 BWOMKZOJZWGOSV-UYRXBGFRSA-N 366.486 4.879 30 40 FJEB CCOc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)N=C2O)ccc1O 6464471 NFBNLHUCWYZVON-BOPFTXTBSA-N 354.431 4.831 30 40 FJEB CCOc1ccc(/C=C/c2nc(C#N)c(NCCc3ccccc3)o2)cc1 8323894 WLLVLBRVDWWLIG-JLHYYAGUSA-N 359.429 4.770 30 40 FJEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 8371957 BJEJLVLPVOMYKK-RCCKNPSSSA-N 351.427 4.513 30 40 FJEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F 32900393 XZWZLIPJOWGBNM-UHFFFAOYSA-N 371.280 4.506 30 40 FJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC)cc3)c12 89534496 YUMJHCSTUWVYTD-SDNWHVSQSA-N 371.440 4.688 30 40 FJEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 102060548 WZDUXSXGKCWDNE-UHFFFAOYSA-N 364.441 4.979 30 40 FJEB COc1cccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)c1 225884158 GCBOJFUXFYNXCX-UHFFFAOYSA-N 369.424 4.944 30 40 FJEB C#CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1OC 409120636 RIXKFJJIACMDJZ-UHFFFAOYSA-N 374.278 4.699 30 40 FJEB Cc1c(N=C2c3ccccc3-c3ccccc32)c(=O)n(-c2ccccc2)n1C 1092755 AMYTURQSWRVCOW-UHFFFAOYSA-N 365.436 4.634 30 40 FJEB CCCCC[C@H](O)/C=C/[C@@H]1CC/C(=N/O)[C@H]1CCCCCCC(=O)O 4063286 VVNPPIUUPJFWII-QCNKJZISSA-N 353.503 4.765 30 40 FJEB biogenic O=C(/C=C/c1nc2ccccc2n1Cc1ccccc1)c1ccc(O)cc1 4426940 BMGFKTVUCXVHQX-CCEZHUSRSA-N 354.409 4.686 30 40 FJEB COc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1ccccc1 4705187 WLJOZEKWOOKLFM-BUVRLJJBSA-N 374.440 4.772 30 40 FJEB CC(C)c1ccc(/N=C2\NC(=O)[C@H](Cc3ccccc3Cl)S2)cc1 5807929 MQAPAJAGYKLYPK-KRWDZBQOSA-N 358.894 4.925 30 40 FJEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1 8811435 GQIMXFMNKFRIKA-CIAFOILYSA-N 355.781 4.632 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)ccc1OC 20491261 CDZBTQFRIVBHHD-UHFFFAOYSA-N 373.836 4.506 30 40 FJEB C=C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927796 WHUVCKHSKYGQND-HPTKSSEUSA-N 358.522 4.798 30 40 FJEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(F)cc2F)cc1 141271762 MGRLYOIUYSGBQD-WYMPLXKRSA-N 367.351 4.993 30 40 FJEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224634777 KAEXQBDDCOEKHR-UHFFFAOYSA-N 359.491 4.508 30 40 FJEB N#Cc1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408541369 GCMOVQGBELGEIJ-WYMPLXKRSA-N 369.380 4.603 30 40 FJEB Cc1c(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cccc1C(=O)O 408781745 DNFYQHFDHQDMQF-FSJBWODESA-N 350.393 4.990 30 40 FJEB COc1ccc([C@@H](C#N)c2ccc(C(=O)c3ccccc3)cc2)cc1OC 1397747 WDRPNTANSXDVJV-FQEVSTJZSA-N 357.409 4.590 30 40 FJEB C#CC(CC)(CC)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 2543562 SCBSBUOSBJJKLS-UHFFFAOYSA-N 365.260 4.879 30 40 FJEB CCOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(O)c1 6538051 AQDTXLMYQWXZRF-ZVBGSRNCSA-N 358.747 4.909 30 40 FJEB Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3c(C)noc3n2)s1 10642139 XGJQAJJWHMLCGF-UHFFFAOYSA-N 374.425 4.692 30 40 FJEB CC1(C)Cc2c(C#N)c(NC3CCCCC3)nc(-c3ccco3)c2CO1 12437185 UVTNBDZSSVYPBU-UHFFFAOYSA-N 351.450 4.809 30 40 FJEB C#CCOc1ccccc1CN(Cc1ccc(CC)cc1)Cc1cccnc1 13569146 NSMYPNATSVMTHK-UHFFFAOYSA-N 370.496 4.858 30 40 FJEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1 15553157 XVNHTZZDGHORSX-MFKUBSTISA-N 372.424 4.697 30 40 FJEB CCOC(=O)C(C/N=C/c1ccccc1)(c1ccccc1)c1ccccc1 17300742 LFCZBRMGEVRQSJ-XIEYBQDHSA-N 357.453 4.655 30 40 FJEB Cc1ccc(Sc2nc3ccccn3c(=O)c2/C=N/c2ccccc2)cc1 100862609 ZNDAJHVLKUTHDO-HZHRSRAPSA-N 371.465 4.905 30 40 FJEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)c1 408777519 BEJHJRMNTPHQJB-SXGWCWSVSA-N 358.850 4.554 30 40 FJEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccccc1OCc1ccccc1 408931861 REAMOWPSXKYRLI-XIEYBQDHSA-N 372.468 4.853 30 40 FJEB Cc1cccc(C)c1NC(=O)CSc1nc2c(C)cccc2cc1C#N 1223895 OQCAHVUKIGRXBU-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CCCCCCCn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1784989 SMKKEPBZRQSUNM-AWEZNQCLSA-N 361.555 4.974 30 40 FJEB CC(=O)Nc1ccc(-c2csc(N/N=C(/C)c3ccccc3)n2)cc1 4993651 CPAWHXGQQUWODG-XKZIYDEJSA-N 350.447 4.605 30 40 FJEB C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)CCC)c1ccnc2ccccc12 58506264 OHNDQUSNRRCMEC-QBTZDCLLSA-N 364.489 4.516 30 40 FJEB CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(OC)ccc1O 59475455 AGCRTRXWXCWNNP-SSDVNMTOSA-N 353.340 4.959 30 40 FJEB COc1cc(/C=C\C(=O)c2sc(Nc3ccccc3)nc2C)ccc1O 5732353 OFVZCBQTOWOILR-LUAWRHEFSA-N 366.442 4.805 30 40 FJEB Fc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12377183 XNQSWLMNTBLBQH-ONUIUJJFSA-N 371.459 4.547 30 40 FJEB O=C(/C=C\c1ccc(/C=C/C(=O)c2ccccc2O)cc1)c1ccccc1O 17381072 GSFRPUAGDBMSNQ-VCFJNTAESA-N 370.404 4.890 30 40 FJEB Cc1ccc(/N=C(\N=c2/ssc(=S)n2C)c2ccccc2)cc1 102967659 VBVSSUQTBAXABQ-SAQCZPFTSA-N 357.529 4.865 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)C1=O 409098697 OSVABNVDUKWREG-CPNJWEJPSA-N 366.486 4.879 30 40 FJEB Cc1cccc(-c2nnc(SCCC#N)n2-c2ccc(Cl)cc2)c1 5262025 HJLCELMQHCFLIR-UHFFFAOYSA-N 354.866 4.902 30 40 FJEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1O 8277717 BLDQYGTWVWYRCW-QGMBQPNBSA-N 354.631 4.876 30 40 FJEB C=CCS(=O)(=O)c1ccc(C)c(NCc2c(Cl)cccc2Cl)c1 8402059 ZJMSWZWJCJSKBJ-UHFFFAOYSA-N 370.301 4.874 30 40 FJEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)c1C 17167416 KQTBAONJTWQECO-ZHZULCJRSA-N 373.481 4.986 30 40 FJEB C/C(=N/N1CCN(Cc2ccc(C)cc2)CC1)c1ccc2ccccc2c1 20101089 DMMLDILUVGUVPG-QQTULTPQSA-N 357.501 4.690 30 40 FJEB N#Cc1ccccc1/C=C/C(=O)Nc1ccc(SCc2cccnc2)cc1 27121556 AOFANFTWKINRBY-KPKJPENVSA-N 371.465 4.897 30 40 FJEB COc1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1 59105083 NNNOPJHUQWVXBA-DEDYPNTBSA-N 355.235 4.999 30 40 FJEB C/N=C1/S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1C 408929610 LOPAQZQFZACHMD-NNBJUWIKSA-N 367.257 4.785 30 40 FJEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 409094288 DHQYAITXACEAAY-REZTVBANSA-N 369.602 4.775 30 40 FJEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Nc3ccccc3)cc1)OCO2 833009 PVQQARYVGKRCQX-CIAFOILYSA-N 361.357 4.818 30 40 FJEB COc1ccc(Br)cc1/C=N/Nc1ccccc1C(F)(F)F 5019897 ORSFBOOQJWBDNN-AWQFTUOYSA-N 373.172 4.923 30 40 FJEB Cc1cc2c(cc1C)[C@](O)(C#Cc1ccccc1)c1c(C)ccc(C)c1C2=O 5395769 FRMGFUBLZJXOMI-AREMUKBSSA-N 366.460 4.752 30 40 FJEB CCOC(=O)c1c(/C=C/c2ccco2)[nH]c(=S)c(C#N)c1-c1ccco1 5473551 FKJQJDFFFXCKJP-BQYQJAHWSA-N 366.398 4.816 30 40 FJEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 5517409 JTDTXFYTRWZVNY-MRXNPFEDSA-N 361.228 4.504 30 40 FJEB Cc1ccc(/N=C2/NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 6190105 BBTPZZLFGAQXKS-CQSZACIVSA-N 365.285 4.764 30 40 FJEB C=CCc1cc(OC)ccc1OCCCN1CCCC[C@@H]1c1cccnc1 8744518 KBPNRRMEVUKGDM-JOCHJYFZSA-N 366.505 4.815 30 40 FJEB biogenic COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 12406420 XCAQFFADSBDWGK-DESHDHEPSA-N 352.409 4.588 30 40 FJEB COc1ccc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc1OC 13547049 QAPYPHIHYIVBTJ-GDNBJRDFSA-N 371.483 4.608 30 40 FJEB CCOc1ccc(/C(CCC/C(=N\O)c2ccc(OCC)cc2)=N/O)cc1 13757056 GGIBTVYKJLHJTG-DQPVQCHKSA-N 370.449 4.711 30 40 FJEB COc1ccccc1CN/N=C/c1cccc(OCc2ccc(C)cc2)c1 20762257 RLNNHIILKCSVLM-BUVRLJJBSA-N 360.457 4.706 30 40 FJEB CCc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 33736601 QJYHACWYKFSVFO-LFVJCYFKSA-N 353.425 4.508 30 40 FJEB C=CCc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(OC)c1OCC(=O)O 59679718 WQUWPBSQKRSGCM-SSDVNMTOSA-N 373.836 4.600 30 40 FJEB COC(=O)c1ccccc1/N=C/C=C(/O)c1ccc(Br)cc1 100958821 CSBIBDUKKFWBDB-GAZRNQOFSA-N 360.207 4.537 30 40 FJEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)c1 102801045 MIDXAABMLBTHKZ-JBCNATCCSA-N 369.420 4.621 30 40 FJEB CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@@H](C)C1 225833287 PHFDMQYKMAROEU-IIBYNOLFSA-N 358.482 4.517 30 40 FJEB COc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)c(OC)c1 408733568 KFTJNJVPFWNTLE-ZVHZXABRSA-N 358.441 4.975 30 40 FJEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2oc(C)c(C)c2C#N)o1 408954057 MUPVZGMRVICNNE-UFFVCSGVSA-N 365.345 4.696 30 40 FJEB CCOc1ccccc1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O 408987214 FDGOEXSDYYWULP-YVLHZVERSA-N 372.877 4.939 30 40 FJEB COc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409212101 QCINTWUBSNVWQI-BUVRLJJBSA-N 374.440 4.772 30 40 FJEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCC(=O)O 873366 JMDNPLKQHAHNSW-UHFFFAOYSA-N 360.438 4.854 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)c4ccccc4)[C@H]3C[C@@H]12 4086890 YMDKUNNJPAGDDL-OEVWDPAPSA-N 353.506 4.651 30 40 FJEB biogenic CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(Cl)cc1 6083131 KRZOIGBZSNARRA-UHFFFAOYSA-N 354.866 4.782 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)ccc1OC(F)F 6181183 YQYZVBLFSXCKBF-KRXBUXKQSA-N 370.298 4.794 30 40 FJEB C=C1C[C@H](C)O[C@@H](c2ccccc2OCc2ccc(C(=O)OC)cc2)C1 18190109 OTOMNJIFGCJDCB-HRAATJIYSA-N 352.430 4.848 30 40 FJEB CC[C@@H](C)Oc1ccc(/C=N\Nc2nc3ccccc3s2)cc1OC 33893756 RIDXCKRHXDWFRT-UAAGNOOKSA-N 355.463 4.928 30 40 FJEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cc(Cl)ccc32)cc1 101101982 SJNKHHLUQFJWKD-QOCHGBHMSA-N 372.852 4.634 30 40 FJEB CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl 409083387 OERSMVSXDLDJPT-JYRVWZFOSA-N 362.212 4.737 30 40 FJEB Cc1ccccc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 977000 DVQDBKNQFWALIF-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(OC(F)F)cc3)c2C#N)C1 2679222 WKUHCGTYSYTLKD-JTQLQIEISA-N 362.401 4.598 30 40 FJEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl 5444145 WLEIZGSKHQAVTM-SFHVURJKSA-N 369.848 4.574 30 40 FJEB Cc1ccc(-n2c(S[C@H](C)C#N)nc3sc(C)c(C)c3c2=O)c(C)c1 7471309 UUHXXKPHTFTPCA-GFCCVEGCSA-N 369.515 4.685 30 40 FJEB C=C(C)COc1cccc(NC(=O)COc2ccc(Cl)c(C)c2C)c1 12138058 JKZODGUELYKATD-UHFFFAOYSA-N 359.853 4.929 30 40 FJEB CC1(C)CC(O)=C/C(=N\Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 16948592 XMEVQDPTMGBTPH-XDHOZWIPSA-N 358.423 4.748 30 40 FJEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 33319587 CSPGKBBHZHPGNM-KGENOOAVSA-N 373.383 4.749 30 40 FJEB C=CCN(c1cccc(C)c1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224933099 IIOBTJYQTZMTQT-UHFFFAOYSA-N 370.301 4.992 30 40 FJEB C=CCc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OC(C)=O 408744099 WQWMQCCCLVHWAE-DEDYPNTBSA-N 360.409 4.630 30 40 FJEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\c2ccc3ccccc3c2)c1 409075885 UZZFNXRCVXFWKL-GRSHGNNSSA-N 371.190 4.967 30 40 FJEB CCOc1ccccc1/C=C1/S/C(=N/c2cccc(Cl)c2C)NC1=O 2810707 JLXXJYZHTCSILZ-GZTJUZNOSA-N 372.877 4.939 30 40 FJEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(C)c([N+](=O)[O-])c3)nc1-2 409057671 QGJGOGWNVSALDQ-JMIUGGIZSA-N 365.414 4.690 30 40 FJEB Cc1ccc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1C 3415508 GDCJLPSNXJXDSW-UHFFFAOYSA-N 358.894 4.996 30 40 FJEB Cc1ccc(-c2csc(N/N=C/c3cccc([N+](=O)[O-])c3)n2)c(C)c1 4957174 VEVDCZDZKVEOGY-VXLYETTFSA-N 352.419 4.781 30 40 FJEB CCCCOc1ccc(/C=N/n2c(S)nnc2C2CCCCC2)cc1 5010094 CNOMMKJQRBXDSY-XSFVSMFZSA-N 358.511 4.676 30 40 FJEB ClC(/C=N/N1CCN(Cc2ccccc2Cl)CC1)=C/c1ccccc1 20171694 UCTUKMAOYUINRI-VOWMAHHKSA-N 374.315 4.723 30 40 FJEB CCc1noc(C)c1C(=O)N1CCCS/C1=N\c1ccccc1C(C)C 24751026 IDGLXNMHFHSTJB-MRCUWXFGSA-N 371.506 4.936 30 40 FJEB COc1ccc(-c2n[nH]cc2/C=C2\CSc3ccc(F)cc3C2=O)cc1 98042519 SMXKNQPQQXWWLP-RIYZIHGNSA-N 366.417 4.596 30 40 FJEB C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219818616 MUXSALWEMNZMLO-QGZVFWFLSA-N 371.502 4.863 30 40 FJEB N#CCc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 225518634 ZUANVNISOKCLEL-UHFFFAOYSA-N 357.482 4.829 30 40 FJEB Fc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(C(F)(F)F)n2)s1 252500865 TXAZLLQRDZWXNQ-ZVBGSRNCSA-N 366.343 4.809 30 40 FJEB C(=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)\c1ccccn1 4811913 JHCCPZAXOZKARC-LFVJCYFKSA-N 351.413 4.652 30 40 FJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccc(F)cc1 5455960 PQCUENKKZODUNC-DHRITJCHSA-N 371.419 4.815 30 40 FJEB C=C(C)N1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 6614190 SDHLPOLXCCJKPF-UHFFFAOYSA-N 370.909 4.667 30 40 FJEB C=C(C)COc1cccc(C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)c1 219793485 XDJLNVOQCHODBG-LJQANCHMSA-N 369.461 4.540 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OC 224873667 MRHHMQHMYHSBBN-UHFFFAOYSA-N 351.324 4.575 30 40 FJEB CCS[C@H](C)C[C@H]1CC(=O)C(C(CC)=NOC/C=C\Cl)=C(O)C1 254289951 SILSDTWXNBZOGF-ZDOCPMNVSA-N 359.919 4.844 30 40 FJEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc(F)cc1 408597405 YXZQUUVSERQIBK-AFUMVMLFSA-N 360.388 4.827 30 40 FJEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 409080757 MOTKLFJWEVKAJK-STZFKDTASA-N 373.383 4.749 30 40 FJEB C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 2619002 HRCKVBRBAXCKDC-UHFFFAOYSA-N 372.877 4.716 30 40 FJEB Cc1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)cc1 5376307 YHSSLKWTPOZQKS-DHDCSXOGSA-N 362.376 4.905 30 40 FJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 5866937 ISAJYNFNALXRDS-LJQANCHMSA-N 368.864 4.974 30 40 FJEB O=C(/C=C(\CC(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 8628588 BYFLKSLHCIJYNC-LTGZKZEYSA-N 354.405 4.952 30 40 FJEB Cc1csc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)n1 32777134 JLJRHIBYFLPMPV-ZDUSSCGKSA-N 371.512 4.544 30 40 FJEB N#Cc1cccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 102618027 DONTYUQNDIFBDD-QAQJPARQSA-N 373.294 4.621 30 40 FJEB COc1ccc(-c2nc3ccccn3c2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 103224106 GFVHCHMGRXXWPE-HYARGMPZSA-N 372.384 4.669 30 40 FJEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(N(C)C)cc1 408591146 ISNVUUURNSPJRT-MFKUBSTISA-N 372.472 4.583 30 40 FJEB C=CCc1cc(C)c(OC(C)=O)c2c(CC=C)cc(C)c(OC(C)=O)c12 952961385 UCFRIBRXYPAOBP-UHFFFAOYSA-N 352.430 4.764 30 40 FJEB CCc1ccc([C@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)cc1 4655572 XHRHCUJHPPAIHA-RRUIWAFLSA-N 358.485 4.781 30 40 FJEB COc1cc2cc(/C=C/C(=O)c3cccs3)c(Cl)nc2cc1OC 4668787 FFELTWSQSVIFSU-AATRIKPKSA-N 359.834 4.863 30 40 FJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2C)cc1 18168497 QKJURYGWMNFODN-PXLXIMEGSA-N 364.470 4.855 30 40 FJEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1cc2ccccc2oc1=O 22879347 AWNPJTODIXPWDC-UHFFFAOYSA-N 371.417 4.507 30 40 FJEB COc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461352 PUYIVSBGDIAMIJ-YZJQUUSSSA-N 352.415 4.886 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(C(C)C)c3C)S2)cc1 408963499 BXZOTLOJWXJNGN-WOJGMQOQSA-N 353.491 4.886 30 40 FJEB C=C1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 1250168 HAXTUDYYZJROKR-DNQXCXABSA-N 366.484 4.971 30 40 FJEB Cc1ccc(COc2ccc(/C=C3/C(=O)ON=C3c3ccccc3)cc2)cc1 2056151 OSKNZQXOFYPRGM-PXLXIMEGSA-N 369.420 4.919 30 40 FJEB O=C(CON=C1c2ccccc2-c2ccccc21)Nc1ccc2c(c1)CCC2 3440838 ZRTTXTFUXKLFDB-UHFFFAOYSA-N 368.436 4.563 30 40 FJEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)cc1 4710552 ACMOMXGCVBDJFE-NRFANRHFSA-N 356.425 4.808 30 40 FJEB Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 5192942 FKLHUHBGPCLVTH-NDENLUEZSA-N 360.365 4.732 30 40 FJEB C=CCc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(OCC)c1OCC 35074627 WQMCUBZXBITPNY-KTKRTIGZSA-N 358.394 4.588 30 40 FJEB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)CC2=O 100923187 ILHUGSXRANMEIC-DNQXCXABSA-N 373.452 4.916 30 40 FJEB C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1OC(C)=O 253389204 AQBQBBLJTDSVLC-RBBZWUIXSA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro C=CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c1 409338087 CXHMEROQRXOSRM-QGOAFFKASA-N 367.495 4.966 30 40 FJEB N#CCN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CCCC1 572142208 WUCSDJWUMMOSQB-UHFFFAOYSA-N 362.351 4.874 30 40 FJEB O=[P@](C#Cc1ccccc1)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 1305779 PHBIAKQEYPXNIN-PXDATVDWSA-N 350.329 4.514 30 40 FJEB C=CCn1c([C@@H]2CC(=O)N(c3ccc(Cl)c(C)c3)C2)nc2ccccc21 5235906 BIYJZFDYHVJYCM-OAHLLOKOSA-N 365.864 4.705 30 40 FJEB C[C@H](C[C@@H](C#N)NCCN[C@@H](C#N)C[C@@H](C)CC(C)(C)C)CC(C)(C)C 19368133 FHEQJCCBJZWVQZ-WTGUMLROSA-N 362.606 4.875 30 40 FJEB C#CCOC(=O)c1ccc2nc(-c3ccc(Br)cc3)sc2c1 73635124 DQIGTJANOAFZOT-UHFFFAOYSA-N 372.243 4.516 30 40 FJEB CCN1C(=O)/C(=C/c2ccc(C)cc2)S/C1=N/c1ccc(OC)cc1 96936309 NPVZHULLDGTTRV-RORWIDQYSA-N 352.459 4.628 30 40 FJEB C[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C#N)C1 4496737 CEHJZNSLOKEGIN-LLVKDONJSA-N 360.479 4.614 30 40 FJEB COc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCc1ccccc1 5019444 FEFABOXXLNGAOD-OEAKJJBVSA-N 350.393 4.859 30 40 FJEB CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C)o2)cc1OC 12771135 KXACKAPQBRXSLZ-VOTSOKGWSA-N 365.223 4.654 30 40 FJEB C=CCSc1nnc(NC(=O)c2cc3c(ccc4ccccc43)o2)s1 225832164 JHCJAINJTBGMMA-UHFFFAOYSA-N 367.455 4.968 30 40 FJEB Brc1ccccc1/C=N/N=C/c1ccccc1Br 1637958 UQXSQQHKLNFMFJ-BEQMOXJMSA-N 366.056 4.665 30 40 FJEB Cc1nc2ccccc2c(=O)n1/N=C/c1c2ccccc2cc2ccccc12 2186513 RXAWHLABBPWOSL-MFKUBSTISA-N 363.420 4.894 30 40 FJEB CC1(C)[C@]2(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC[C@@]1(C)C(=O)C2 4821052 ILHUGSXRANMEIC-BJKOFHAPSA-N 373.452 4.916 30 40 FJEB Cc1ccc(/C=N/Nc2c(Cl)c(Cl)nc(C(=O)O)c2Cl)s1 6566581 RQSTZKCHGBEHKG-AYSLTRBKSA-N 364.641 4.556 30 40 FJEB Cc1ccccc1-n1c(C)cc(/C=N/Nc2nc3ccccc3n2C)c1C 7343432 GDXRDHZWOAFIOY-OEAKJJBVSA-N 357.461 4.735 30 40 FJEB Cc1sc2ncnc(N/N=C3/CCSc4ccc(F)cc43)c2c1C 33045697 XAPDFVLGEHQMEE-BKUYFWCQSA-N 358.467 4.759 30 40 FJEB CC(=O)Nc1ccc(/N=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 104180870 ZNJUZVMMTBJQIV-LNVKXUELSA-N 357.369 4.703 30 40 FJEB C=CCN(C(=O)c1cc(C(C)C)on1)c1nc(-c2ccccc2)cs1 152237405 GXOYLCXWTSPYBD-UHFFFAOYSA-N 353.447 4.754 30 40 FJEB C=CCN(c1ccccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 224933644 NAXWWRBXEWMRIG-UHFFFAOYSA-N 360.237 4.514 30 40 FJEB CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl 408944715 UUPHCNPHZFSKTJ-OQLLNIDSSA-N 362.212 4.889 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 409215065 ZLIDTZDQTWLSDB-CIAFOILYSA-N 372.262 4.837 30 40 FJEB CCOC(=O)c1ccc(/N=C2/C(=O)N3c4c(cccc42)C(C)=CC3(C)C)cc1 2332197 PETZMRFIXGJQNZ-LYBHJNIJSA-N 374.440 4.526 30 40 FJEB CCN(CC)c1ccc(/N=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 4014833 MDFMQERAHAKZRB-ZBJSNUHESA-N 368.868 4.681 30 40 FJEB CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(-c3ccccc3)n2)cc1 4595754 GNFPAJHXQASAFG-XQNSMLJCSA-N 359.477 4.744 30 40 FJEB Cc1nc2sccn2c1C=C(C(=O)c1ccccc1)C(=O)c1ccccc1 4865214 WMBREVBHBQRABM-UHFFFAOYSA-N 372.449 4.853 30 40 FJEB C(=N/N1CCN(Cc2ccccc2)CC1)\c1cccc(Oc2ccccc2)c1 22078569 NACDIMVLKYHRRO-NCELDCMTSA-N 371.484 4.631 30 40 FJEB Cc1ccc(-c2nc(C#N)c(NCCSc3ccc(F)cc3)o2)cc1 72427569 GMWRVOANLKCWFH-UHFFFAOYSA-N 353.422 4.865 30 40 FJEB N#Cc1cccc(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c1 84374429 QHXDIRCPNFIRTL-QGZVFWFLSA-N 357.866 4.534 30 40 FJEB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@H](C)C1 260818222 YCOZRJIXAJZZCC-CKJXQJPGSA-N 358.482 4.659 30 40 FJEB CCCOc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1 408531215 LHMIQACFMKLSNM-AQTBWJFISA-N 352.459 4.675 30 40 FJEB CCOc1cc(/C=N/O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409083923 WMTMXEXLZWHLEC-AWQFTUOYSA-N 370.283 4.613 30 40 FJEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)CC(=O)N2c1ccccc1 1079876 ZXTDMNVSYFUPBS-MRXNPFEDSA-N 351.833 4.868 30 40 FJEB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 1085578 MZNGXQVHLPRQHJ-GWCFXTLKSA-N 355.290 4.638 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C2\CCCC\C2=C/c2ccccc2)c([N+](=O)[O-])c1 6514172 NYAUQRQETLBWBV-QTBZMJKBSA-N 366.377 4.929 30 40 FJEB C/C(=N/OC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccncc1 12362222 FSNGGPNMACXDPJ-MTJSOVHGSA-N 367.232 4.515 30 40 FJEB CC(=O)Nc1c(/N=C/c2ccc([N+](=O)[O-])cc2)cc2c3c(cccc13)CC2 17375676 PNQBCBUKGJVUEU-WSDLNYQXSA-N 359.385 4.556 30 40 FJEB CCCc1cc(=O)oc2c(C)c(O)c(/C(C)=N\Nc3ccccc3)cc12 96343754 LWGMTFYKVDXBHT-HMAPJEAMSA-N 350.418 4.596 30 40 FJEB COc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)c(Cl)c2)c1O 102417304 CQONNEVXMICCQB-SRZZPIQSSA-N 370.792 4.650 30 40 FJEB CC(C)c1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N 225892396 UJQIRHAXUFVPEK-UHFFFAOYSA-N 353.278 4.653 30 40 FJEB Cc1ccc(-c2ccc(/C=N/OCc3ccccc3C#N)o2)cc1[N+](=O)[O-] 408594202 SVPFRWQHKNFZSQ-WSDLNYQXSA-N 361.357 4.586 30 40 FJEB CCn1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c2ccccc21 408893448 BUWXNWLGABQPHE-UHFFFAOYSA-N 361.441 4.789 30 40 FJEB N#C[C@H](C(=O)c1ccc2c(c1)CCC=C2)c1nc(-c2ccncc2)cs1 573907130 WGALRLTVPCHOJV-GOSISDBHSA-N 357.438 4.655 30 40 FJEB COc1ccc(/C=N/c2nc3c(s2)CCCC3)cc1Br 4175850 MBKMCDQEKVRVDH-RQZCQDPDSA-N 351.269 4.544 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)c1O 6453651 KOWPRMCGRCZCAE-FARCUNLSSA-N 367.626 4.713 30 40 FJEB C=CCSc1nnc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)s1 39989277 MHFHOAVOJMRHEF-DHZHZOJOSA-N 359.520 4.766 30 40 FJEB Fc1ccc(-c2n[nH]cc2/C=N/n2cc(-c3ccccc3)[nH]c2=S)cc1 48299025 SBAZLVAKSOYWIP-SSDVNMTOSA-N 363.421 4.624 30 40 FJEB COc1ccc2[nH]cc(C3=CCN(c4c(F)cc(C#N)cc4F)CC3)c2c1 78611352 BCURYFLMIIDRBA-UHFFFAOYSA-N 365.383 4.620 30 40 FJEB O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)Nc1ccc(F)cc1 100416826 PLUYDTHBRYVPAR-CFRMEGHHSA-N 366.367 4.733 30 40 FJEB COc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)c(C)cc2C)S1 408720836 FGVXAFNJQBYTMV-WQRHYEAKSA-N 352.459 4.512 30 40 FJEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1cccc(F)c1 409080555 ILPMEINJFILQKA-ZHZULCJRSA-N 373.383 4.749 30 40 FJEB N#C[C@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 539960642 QZMNTDJGBSXDEJ-KRWDZBQOSA-N 359.256 4.697 30 40 FJEB S=c1n(/N=C/c2ccc(Cl)cc2)cnn1Cc1ccccc1Cl 3197380 KDQZTLGHLGTPLQ-DJKKODMXSA-N 363.273 4.651 30 40 FJEB COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1C 4827080 XOUFHKRUWQELKT-FNORWQNLSA-N 352.217 4.621 30 40 FJEB COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2O)c(OC)c1 5100010 MRBNJDIFOAAKTG-GQCTYLIASA-N 353.201 4.612 30 40 FJEB CCCC[C@](C)(O)C/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC 5554030 OCWJVIUDOHXKHI-BWZVVRHBSA-N 364.526 4.759 30 40 FJEB in-vitro C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nc2ccccc21 5618936 DIPSHQGWLJJRFE-UHFFFAOYSA-N 352.459 4.726 30 40 FJEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)cc2)cc1 5900431 LQJIHZCKGBAATM-YBFXNURJSA-N 358.854 4.542 30 40 FJEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1cccs1 12032486 GRNXLJUITYMIGR-XYOKQWHBSA-N 354.378 4.659 30 40 FJEB N#Cc1c(COc2ccccc2C(=O)Nc2ccccc2)cn2ccccc12 14902128 AUCDXPAXJOQISH-UHFFFAOYSA-N 367.408 4.642 30 40 FJEB CC(=O)C1=C(C)N[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl 19331719 UIMMOGUGGQCJRK-RTBURBONSA-N 361.272 4.789 30 40 FJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1ccc(CC)cc1 97104904 WAUKJXJEZPVOOD-RBBKRZOGSA-N 366.432 4.707 30 40 FJEB Cc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc(C)c1O 109018902 WNSNPJCNQZNWCR-DHDCSXOGSA-N 358.850 4.554 30 40 FJEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224709808 VAOXQGLRLCIYGZ-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)o1 408815999 KCFGKPKIVDLNDP-ATVHPVEESA-N 369.490 4.634 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 4671826 JRRHORHCSUWZKB-LPYMAVHISA-N 365.364 4.759 30 40 FJEB CCCCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(O)cc1 5978382 ASSPJNMMDULRIC-PGNDWZGLSA-N 373.836 4.760 30 40 FJEB C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1cccc(C#N)c1 6784664 DETIUOSYBJNWHY-CQSZACIVSA-N 356.381 4.864 30 40 FJEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 20762467 GNRWAZHETCQGJQ-ZVHZXABRSA-N 367.880 4.880 30 40 FJEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(F)c(Cl)c1 409095482 HXFSGFJXJYFCNG-WSDLNYQXSA-N 362.832 4.847 30 40 FJEB COC(=O)c1ccc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)cc1 793794 SAMTUEDIEFHBTD-CIAFOILYSA-N 365.458 4.715 30 40 FJEB N#Cc1c(NC(=O)/C=C/c2ccc(OC(F)F)cc2)sc2c1CCCC2 948807 YEZJTLKDMIGNBU-JXMROGBWSA-N 374.412 4.752 30 40 FJEB Cc1cc(-c2cccs2)nc(SCC(=O)c2ccccc2)c1C#N 1073787 JXLUQSABAIZLNS-UHFFFAOYSA-N 350.468 4.965 30 40 FJEB O=[N+]([O-])c1cc(Nc2ccccc2)c(/C=N/c2ccccc2)c([N+](=O)[O-])c1 3666279 WMNMBGGUVFNGAW-DEDYPNTBSA-N 362.345 4.997 30 40 FJEB COc1ccc(/C(C)=N/Nc2cc(C(F)(F)F)ccc2Cl)c(O)c1 4922336 KHUBWDWUJJAKNU-ZVBGSRNCSA-N 358.747 4.909 30 40 FJEB CCCC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O 5092796 JDGUPUAAQACHJI-MHCYFFLUSA-N 371.531 4.772 30 40 FJEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C)cc1 8362980 KRVKGKBWYDYYRK-QHHAONBESA-N 367.430 4.527 30 40 FJEB CC/N=c1/scc(-c2cccs2)n1/N=C/c1c(F)cccc1Cl 102926844 GDBWRSQVUVALDL-WQBGIHHKSA-N 365.886 4.873 30 40 FJEB C=CCOc1ccccc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 408530357 KOOAVOWJZLTWOO-CYVLTUHYSA-N 365.454 4.530 30 40 FJEB CCCC[C@@](C)(O)C/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC 5554582 OCWJVIUDOHXKHI-LBFFMLCHSA-N 364.526 4.759 30 40 FJEB in-vitro COC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 6524443 OFUAAJMQFPQPSA-OAHLLOKOSA-N 374.465 4.941 30 40 FJEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)c1 6571474 GLQOVTFPMGUPLH-SXGWCWSVSA-N 358.850 4.554 30 40 FJEB C[C@H]1CCC[C@H](C)N1/N=C/c1ccc(/C=N/N2[C@@H](C)CCC[C@H]2C)cc1 18169577 JJAHCZGJBCPVDU-ZEXQVDSRSA-N 354.542 4.880 30 40 FJEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(Cl)cc1OC 409108384 XDKUMLRMXAJJRY-GZIVZEMBSA-N 373.762 4.607 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccc(F)cc1 409225783 KZUIDQWBHUNFII-OUUNKBNMSA-N 369.465 4.516 30 40 FJEB COc1cccc(/C=C2\S/C(=N\c3cc(Cl)ccc3C)NC2=O)c1 979357 QZDGNXSAGLHURL-SXGWCWSVSA-N 358.850 4.549 30 40 FJEB Cc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1 1914021 MFGGWAPHJGTWDL-UHFFFAOYSA-N 368.502 4.913 30 40 FJEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CO 6469408 USJUZEYYTPWSSZ-RGMHLJPOSA-N 360.494 4.656 30 40 FJEB Cc1cccc(C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)c1C 105085969 BPURBSGJTAFYFW-LSDHQDQOSA-N 352.503 4.827 30 40 FJEB C=CCOc1cccc(NC(=S)NC[C@H](CC)Cc2ccccc2)c1 225633202 MQRRRIRNXVAFJM-QGZVFWFLSA-N 354.519 4.807 30 40 FJEB CCC[C@H]1CCc2c(sc(NC(=O)c3ccccc3OC)c2C#N)C1 680096 KKIKPUZLHJHFHF-ZDUSSCGKSA-N 354.475 4.786 30 40 FJEB CC(C)(C)c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 3261787 ZTYXBIRENBNCDG-FSJBWODESA-N 365.502 4.517 30 40 FJEB CCOc1cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)ccc1O 4921727 VRJOTSUYQOVZQH-ZVBGSRNCSA-N 358.747 4.909 30 40 FJEB CCOc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 6962606 PICBRRGPOWYDMA-LFVJCYFKSA-N 374.440 4.853 30 40 FJEB CC(C)Oc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2n1C 7343408 VJZUWDZNPBZMJR-OEAKJJBVSA-N 358.445 4.960 30 40 FJEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8115970 DAUOAEVVLJLGFH-SNVBAGLBSA-N 368.742 4.636 30 40 FJEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1 59087038 IYVACMZBAHMJBF-YBFXNURJSA-N 366.333 4.517 30 40 FJEB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC(C)CC1 225834972 PZMXNGUKNNSLDX-ZGOJQLDESA-N 358.482 4.659 30 40 FJEB CC/N=C1\S/C(=C\c2ccc(OCC)c3ccccc23)C(=O)N1CC 408851321 XUUCOZJZWXGZDD-PQDITWEDSA-N 354.475 4.551 30 40 FJEB CCOc1cccc(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1O 1435814 DWAJFFWVASNPLL-YDZHTSKRSA-N 359.385 4.745 30 40 FJEB N#Cc1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 4176320 GOBSATUTXAGZHE-UHFFFAOYSA-N 362.439 4.544 30 40 FJEB O=c1oc2ccccc2cc1-c1csc(N/N=C\c2ccccc2F)n1 4860163 XVMRMLGITUGNTH-FBHDLOMBSA-N 365.389 4.502 30 40 FJEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2s1 10964727 WSQQQHUQFAKCES-UHFFFAOYSA-N 359.863 4.552 30 40 FJEB COc1cccc(-c2csc(/C(C#N)=N/Nc3ccc(C)cc3C)n2)c1 33635867 XWZDLKTWZAIXKA-HKOYGPOVSA-N 362.458 4.775 30 40 FJEB CCOc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl 408596022 YRVOIBLKGAAXBT-DJKKODMXSA-N 369.204 4.851 30 40 FJEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCC 408914527 YHRLZOOJFKKAKJ-UHFFFAOYSA-N 356.805 4.600 30 40 FJEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 726599 HFOTUSIFRRYRLZ-HXUWFJFHSA-N 367.489 4.551 30 40 FJEB CC(C)(C)OC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2 2248806 VRXCVGBODDWFER-UHFFFAOYSA-N 366.486 4.543 30 40 FJEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1Cl 4626486 QWLUBTFZXBHWNM-KDOFPFPSSA-N 363.885 4.841 30 40 FJEB CC(/C=C/c1ccccc1)=C\C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4701680 IYFGLYFTWKJMPZ-FHAWEJLJSA-N 366.377 4.951 30 40 FJEB CC(C)(C)C#CSc1nsc(NC(=O)Nc2cccc(Cl)c2)n1 4984728 JLOUJFRMFYITKL-UHFFFAOYSA-N 366.899 4.935 30 40 FJEB Brc1cccc(/N=C/c2ccc(OCC3=CCOCC3)cc2)c1 5400533 UGFCTLRXNHJNPZ-FYJGNVAPSA-N 372.262 4.925 30 40 FJEB C/C(=N\c1ccc(Cl)cc1)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 95483376 MWTFILHUWFGMKK-RGVLZGJSSA-N 370.796 4.589 30 40 FJEB CC(C)c1nc(C#N)c(NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)o1 96346623 AIVOGKQMUKRFFC-GOSISDBHSA-N 354.498 4.682 30 40 FJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccccc2)cc1 103824021 WFDJKPVNICFGDL-QNGOZBTKSA-N 350.443 4.546 30 40 FJEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/C=C\N(C)C)C[C@@H]12 104227341 OZHKGIPTPIFKOA-RQCVDWHFSA-N 365.517 4.732 30 40 FJEB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 225798638 QCLXDWRVSSMLKF-UHFFFAOYSA-N 360.498 4.761 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(CC)cc1 408707014 HTJABBJTGYXHLC-UHFFFAOYSA-N 374.569 4.902 30 40 FJEB CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 4786016 XZZTXAZMJUWECT-FHOUHHFSSA-N 374.934 4.647 30 40 FJEB CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C)cc1 8362897 QRQZPVSJVBNZSD-BIXZQSIESA-N 352.459 4.628 30 40 FJEB C[C@H](C[C@@H](C#N)NCCN[C@H](C#N)C[C@@H](C)CC(C)(C)C)CC(C)(C)C 19368195 FHEQJCCBJZWVQZ-ZRNYENFQSA-N 362.606 4.875 30 40 FJEB C=CCn1c(SCc2noc(-c3ccsc3)n2)nc2ccccc21 40050950 SXCBRRTVLSUONZ-UHFFFAOYSA-N 354.460 4.626 30 40 FJEB O/C(CN1CCC(Cc2ccccc2)CC1)=N\c1nc2ccccc2s1 50097573 ACSQYWCPENKNLI-UHFFFAOYSA-N 365.502 4.839 30 40 FJEB [O-]/[N+](=C\c1ccc(F)cc1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 80343891 NQQQOFUICNBZLA-QFEZKATASA-N 359.360 4.804 30 40 FJEB C=CCc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1OC 224126944 CYXNMCODZQVBBT-UHFFFAOYSA-N 367.489 4.530 30 40 FJEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225044157 OHKLYMIERBUCTF-UHFFFAOYSA-N 351.471 4.838 30 40 FJEB N#Cc1cn(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12 226362006 UQGFNHWFBCBGRK-UHFFFAOYSA-N 352.393 4.780 30 40 FJEB Cc1ccsc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409281209 CSNWIWJVIYNPEV-UHFFFAOYSA-N 351.475 4.696 30 40 FJEB Oc1cccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1848350224 QPMFXBKXDAYARA-UHFFFAOYSA-N 356.184 4.629 30 40 FJEB Cc1cc(OCC(=O)Nc2oc(-c3ccccc3)cc2C#N)ccc1Cl 948983 MEBUKDNPNZVJFB-UHFFFAOYSA-N 366.804 4.798 30 40 FJEB Cc1cccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 1773782 BTOOWVIIIMBARW-UHFFFAOYSA-N 354.475 4.605 30 40 FJEB CCC[N+]1(CC#CCC2(O)c3ccccc3-c3ccccc32)CCCCC1 1805909 BXQAHWHZYJCTEM-UHFFFAOYSA-N 360.521 4.707 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3ccccc3Cl)=NC2=O)cc1 2668842 DAMAMJSRFPJKIX-SFQUDFHCSA-N 370.861 4.987 30 40 FJEB Cc1ccc(C(=O)NCC/N=C/c2cccc(Oc3ccccc3)c2)cc1 4715536 LEBMQTXKJZFEGU-JJIBRWJFSA-N 358.441 4.636 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C)c(C#N)cc2c1 4849147 VCSNKQOFFQTPQU-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 5068410 LRMYCTWHWUHRHN-QGOAFFKASA-N 367.495 4.653 30 40 FJEB N#CCOc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 8394572 WQBVWIDLVDGCRV-UHFFFAOYSA-N 352.397 4.943 30 40 FJEB CCOc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccccc2)cc1 12524027 RBZZXXIMAYDVTC-ZNTNEXAZSA-N 356.425 4.693 30 40 FJEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(N2CCCCCC2)cc1 12531686 RDCIBDXAJKZLJH-CJLVFECKSA-N 351.450 4.601 30 40 FJEB N#Cc1c(CSc2nnc(Nc3ccccc3)s2)cn2ccccc12 58342225 ZZZHIZZYFUBXKA-UHFFFAOYSA-N 363.471 4.698 30 40 FJEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccc(C)cc1 100250312 DENCQEHEXGHMEH-GRSHGNNSSA-N 364.239 4.543 30 40 FJEB COc1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1Cl 139862490 BABMIQFKUYNANV-HYARGMPZSA-N 353.853 4.956 30 40 FJEB COc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1C(F)(F)F 575361383 ZQURLPSZAOMGOQ-UHFFFAOYSA-N 372.158 4.730 30 40 FJEB CC(C)n1c(/N=C/c2cc(Br)ccc2O)nc2ccccc21 2298866 VHKQBVVNOCHSDB-VXLYETTFSA-N 358.239 4.836 30 40 FJEB CCCCCCCCOCCNC(=O)c1ccc(Br)cc1 3153220 VVPGWLGBTLTBLI-UHFFFAOYSA-N 356.304 4.556 30 40 FJEB N#Cc1ccc(-c2ccccc2Cl)n(Cc2ccc(Cl)cc2)c1=O 4002141 KEZYVWITGBLGGB-UHFFFAOYSA-N 355.224 4.742 30 40 FJEB N#C/C(=N/Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 4712331 DXYHEFZDIOKCMO-HAHDFKILSA-N 356.813 4.942 30 40 FJEB N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCC(=O)O 5394915 TVGHILFXILDRHA-UHFFFAOYSA-N 358.469 4.587 30 40 FJEB CCOc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)cc1 5551666 WKWLYNXRNUHCBD-PDGQHHTCSA-N 352.459 4.594 30 40 FJEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 35455603 WTDIRAZPDUAJEB-JSRVAWGMSA-N 350.499 4.829 30 40 FJEB biogenic,in-vitro COc1ccc([C@H]2C[C@@]2(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 51330271 KFYFXOTZECSPIN-KDOFPFPSSA-N 361.228 4.638 30 40 FJEB C/C(=N/Nc1nc(C)nc2sc3c(c12)CCCC3)c1ccc(C#N)cc1 57420075 GZASULMIAILZTR-MSXFZWOLSA-N 361.474 4.586 30 40 FJEB C=CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 216899484 GGZBJIOAZVAPCT-YRNVUSSQSA-N 358.821 4.670 30 40 FJEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)O 409215588 BUQFSCNALBSCCV-DNTJNYDQSA-N 368.216 4.524 30 40 FJEB COc1cccc(/C=N\c2ccc(Cl)cc2Cl)c1O[C@@H](C)C(=O)O 409244938 KUYXLWJYHGKUAG-ZFKRWFGPSA-N 368.216 4.605 30 40 FJEB O=C(/C(Br)=C/Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 3166310 QSLTULVSDCQVSI-XQRVVYSFSA-N 362.960 4.773 30 40 FJEB FC(F)Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1Cl 3233650 QHOKBUSXDVFIMA-WSDLNYQXSA-N 366.795 4.529 30 40 FJEB COc1ccc(C)cc1NC(=O)[C@@H](Oc1ccccc1C#N)c1ccccc1 4958996 CYDZPECOYGBIOU-QFIPXVFZSA-N 372.424 4.634 30 40 FJEB CCC(=O)Nc1ccc(-c2csc(N/N=C/c3ccccc3)n2)cc1 5977775 DHQNLNJLOOJICO-UDWIEESQSA-N 350.447 4.605 30 40 FJEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)cc1 18119844 XLWCFHOEUSKIDY-UYRXBGFRSA-N 364.470 4.760 30 40 FJEB C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 73638330 NBHKSIUVDYYPOW-VMPITWQZSA-N 351.171 4.591 30 40 FJEB CC(C)(C)/N=C1\[C@@H](N2CCCC2)C2(CCCCC2)C(=O)N1c1ccccc1 101377442 JCPZINYTUYPURU-ICBALBMBSA-N 367.537 4.645 30 40 FJEB CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1cc(C)ccc1C 408908250 QSDNGEIPCOBUHR-KDWIEBRMSA-N 352.459 4.633 30 40 FJEB N#C[C@H](C(=O)CCc1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl 644811 GNICEOOJBOLCHC-LLVKDONJSA-N 358.228 4.679 30 40 FJEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccc(Cl)cc2)n1 711389 ZHIBPIMOWFCGQD-UHFFFAOYSA-N 370.783 4.909 30 40 FJEB O=C1/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Sc2ccccc21 4046446 VVYKXNXXFZSMQX-UYRXBGFRSA-N 366.442 4.915 30 40 FJEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1ccc(C(=O)O)cc1 5552614 CWLNIMBEUSXFMH-WCWDXBQESA-N 361.405 4.742 30 40 FJEB O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(N2CCOCC2)cc1 5693282 YFBGTMBXGYKLFY-CMDGGOBGSA-N 362.256 4.726 30 40 FJEB CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N\c1ccc(OC)cc1 12657274 KEUSMQAKEPJVQC-YYDJUVGSSA-N 372.424 4.725 30 40 FJEB biogenic O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1cccc(F)c1 13776638 ZFGAKCRNSMVMTH-ZSOIEALJSA-N 366.339 4.736 30 40 FJEB Fc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 19861289 KVCXQWRUVRNOHS-YZSQISJMSA-N 371.459 4.547 30 40 FJEB Cc1cc(Oc2ccc(-n3ccnc3)cc2)n2c(nc3ccccc32)c1C#N 23145273 FMOTWASPMBHPPB-UHFFFAOYSA-N 365.396 4.646 30 40 FJEB CCCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C 95871087 QHQKXMOBJVNMNT-UHFFFAOYSA-N 368.572 4.562 30 40 FJEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(F)c1 408589175 DEBZZWXTTAUALY-WSDLNYQXSA-N 367.380 4.692 30 40 FJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3O)c2C)c1 408968085 UEIOSOHWVYNZJL-UCQKPKSFSA-N 362.429 4.727 30 40 FJEB COC(=O)c1cccc(/N=C\c2cccn2-c2ccc(C)c(Cl)c2)c1 409015242 ZAVQJCVVAMTGQI-XKZIYDEJSA-N 352.821 4.976 30 40 FJEB COc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 409199257 AUMVFSWIDTZNEC-HMAPJEAMSA-N 362.385 4.933 30 40 FJEB Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1C 409212323 OWKHDJAYNUPWCH-DNTJNYDQSA-N 352.217 4.824 30 40 FJEB C=CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1797324 QRXVZNWSXBMBEA-UHFFFAOYSA-N 352.507 4.915 30 40 FJEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 3894905 KTPPCBXPTDAJIV-YBFXNURJSA-N 358.398 4.507 30 40 FJEB CCCCOc1ccc(-c2cs/c(=N/N=C/c3ccc(F)cc3)[nH]2)cc1 4860162 OZZJBJYUJMYNRY-LPYMAVHISA-N 369.465 4.996 30 40 FJEB N#Cc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 5123964 ZVFNOIVBUKOXPR-OVCLIPMQSA-N 356.859 4.617 30 40 FJEB Cc1ccc(NC(=S)N/N=C/c2cc(C)n(CC(C)C)c2C)c(C)c1 6266489 RGEOUWXQMGGBTB-SRZZPIQSSA-N 356.539 4.698 30 40 FJEB COc1ccc(C(=O)/C=C/c2cc(Br)ccc2F)cc1OC 7058229 VMQMFJIAERDXDO-XVNBXDOJSA-N 365.198 4.502 30 40 FJEB C[N+]1(C)C/C(=C/C=C\c2ccccc2)C(=O)/C(=C/C=C/c2ccccc2)C1 17197523 BWGCJHMLEDGPST-DHDSGLKPSA-N 356.489 4.925 30 40 FJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ccccc3)c2C)cc1 59427379 ITAKAPHSYGJYOH-HZHRSRAPSA-N 361.445 4.717 30 40 FJEB C=CCC(C#N)(C#N)c1nc(-c2ccccc2)c2c(c1C#N)C[C@@H](C)CC2 95117577 JTCGYSYBYGEVPR-INIZCTEOSA-N 352.441 4.606 30 40 FJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2cccc(C)c2)cc1 100139961 AYZNKGNUEDNTPT-PXLXIMEGSA-N 364.470 4.855 30 40 FJEB Ic1ccc(/N=C\c2cccn2-c2ccccc2)cc1 408849269 VVCSGUPHDSRQGH-UYRXBGFRSA-N 372.209 4.833 30 40 FJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(Cl)c3)S2)cc1 408950462 FEZNVCTYWOOYDV-LFIBNONCSA-N 358.850 4.630 30 40 FJEB C=C(C)CNC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 1625647237 IICNSQOIDJJVPC-KRWDZBQOSA-N 350.245 4.806 30 40 FJEB CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccc(SC)cc1 2260614 NWZNGODFZRHQCF-VUFYJBQKSA-N 368.593 4.576 30 40 FJEB Cc1ccc2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 4125299 QZDNLNXNOFDGLV-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2c(C)cc(C)cc2C)NC(=O)N1 5866796 XRLPVNLGKICSFP-LJQANCHMSA-N 368.864 4.776 30 40 FJEB Cc1ccc(C[C@H](C#N)Sc2nnc3c(Cl)cc(Cl)cn23)cc1 6589422 CILFRCDYDFQGKA-CYBMUJFWSA-N 363.273 4.572 30 40 FJEB C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccccc1 6790466 AUYNJEVZDZJNOL-UHFFFAOYSA-N 374.469 4.587 30 40 FJEB Cc1ccc(-c2nc(Sc3ncccc3[N+](=O)[O-])c(C#N)cc2C)cc1 13575427 UNCKWKYJHZMMNP-UHFFFAOYSA-N 362.414 4.692 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2cccc(OC(F)(F)F)c2)cc1 51318878 LJXBQAGXGRSVBY-ZHACJKMWSA-N 351.324 4.792 30 40 FJEB N#Cc1cc(/C=C/c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1C#N 78547602 KKAXDNITUTYOPZ-OWOJBTEDSA-N 360.156 4.521 30 40 FJEB CCOc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1 197786345 XVTLJMVTPJKRBR-JJIBRWJFSA-N 360.457 4.826 30 40 FJEB C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc2ccccc2c1 225052326 NCCVSXIRRPEKDS-UHFFFAOYSA-N 351.471 4.784 30 40 FJEB Cc1c(F)cccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242700 FRHLJJLQSUFHAP-UHFFFAOYSA-N 356.159 4.785 30 40 FJEB COc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(Cl)c2)cc1OC 870856 GOHLAXSAXIMMHI-BQYQJAHWSA-N 352.217 4.819 30 40 FJEB N#Cc1c(/N=C/c2c(O)ccc3ccccc23)sc2c1C1CCN2CC1 952803 RGMDCKGTOIBNHP-FSJBWODESA-N 359.454 4.927 30 40 FJEB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 3324829 NWEGWLIORIFNSR-INIZCTEOSA-N 357.413 4.790 30 40 FJEB COc1cc(/C=N/N=C(\C)c2ccc3ccccc3c2)cc(OC)c1OC 5328359 FUSJKVOJYARDKE-OZEVPFDHSA-N 362.429 4.709 30 40 FJEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccc(Cl)cc2Cl)cc1 6032876 UMGRSATZPFCQOP-OCKHKDLRSA-N 363.273 4.731 30 40 FJEB CC(=O)Nc1sc(N/N=C\C=C\c2ccccc2)nc1-c1cccs1 13685281 SOZHIFWTFLRUFA-IBBXKIGNSA-N 368.487 4.941 30 40 FJEB C[C@@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 28795109 CGHUUAIDLXULPI-CYBMUJFWSA-N 353.853 4.530 30 40 FJEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 35455596 WTDIRAZPDUAJEB-DJDQUYCGSA-N 350.499 4.829 30 40 FJEB biogenic,in-vitro C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(C)cc1 5453547 CVFDXOJJGVKHCR-UHFFFAOYSA-N 361.474 4.608 30 40 FJEB C[C@@H](ON=C1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1F 5460251 MSUGOZMSJLJCBQ-CQSZACIVSA-N 360.388 4.602 30 40 FJEB COc1ccc(SCC(=O)c2cn(CCC#N)c3ccccc23)cc1 6986331 DVWYKHVRQLOKDW-UHFFFAOYSA-N 350.443 4.539 30 40 FJEB C=CCN(C(=O)/C=C/c1csc(C)n1)c1nc(-c2ccccc2)cs1 10642819 YNPLMKYTAKVLRY-MDZDMXLPSA-N 367.499 4.807 30 40 FJEB C/N=c1\scc(-c2ccccc2)n1/N=C/c1cccc(C(F)(F)F)c1 12602551 HOGLNDQVCRVSNC-BEDJDDBJSA-N 361.392 4.648 30 40 FJEB CN(C)[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccccc1Cl 27990974 IVEYBMMAJWQXGM-SFHVURJKSA-N 366.852 4.581 30 40 FJEB N#Cc1ccc(-c2ccn(CN(C3CC3)[C@@H]3CCc4ccccc43)n2)cc1 69921202 VRCWYLPMSSVORP-HSZRJFAPSA-N 354.457 4.531 30 40 FJEB Oc1c(/C=N\c2ccc(I)cc2)ccc2ccccc12 100248428 ADXBIGOSCFZVRF-ODLFYWEKSA-N 373.193 4.901 30 40 FJEB C=CCN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224926694 KBOITBHUKAEQDS-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB O=C1Nc2ccccc2C(=O)/C1=C/Nc1ccc2c(c1)oc1ccccc12 226760359 KCOZSUZVGOHXSW-ATVHPVEESA-N 354.365 4.717 30 40 FJEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C2 253589950 OMLBVMDSMTUGEU-IUKKYPGJSA-N 369.505 4.750 30 40 FJEB C=CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 408903570 ZVVBFDCKVWDNLS-HMMYKYKNSA-N 355.441 4.942 30 40 FJEB O=C1C(Cl)=C(Nc2cc(Cl)ccc2Cl)C(=O)c2ccccc21 1613763 VESMOGLGIAKDOZ-UHFFFAOYSA-N 352.604 4.935 30 40 FJEB C=CCn1c(SCc2ccc(F)cc2Cl)nc2ccccc2c1=O 2618947 IAXKIMUCDNXYLO-UHFFFAOYSA-N 360.841 4.667 30 40 FJEB CCOc1ccc(/N=C2\S[C@H](C)C(=O)N2c2ccc(OCC)cc2)cc1 6606403 WKVYFOQOQCEYOQ-JTKIUVGSSA-N 370.474 4.640 30 40 FJEB Cc1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1C 12556171 IIQQIZCNIHFODA-HNNXBMFYSA-N 367.518 4.945 30 40 FJEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 21356098 AXVAXTZHXKFHSN-JOCHJYFZSA-N 360.457 4.850 30 40 FJEB C=CCSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1 39989276 GCEJWEPCKRAYPV-GQCTYLIASA-N 372.302 4.775 30 40 FJEB N#CCCn1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(-c2ccccc2)n1 96766600 WEGCOJAXZROFIA-WOJGMQOQSA-N 374.831 4.610 30 40 FJEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)/C=C/c1cccs1 105085744 ONORPCUPYRPASP-MTGKYRQXSA-N 356.516 4.672 30 40 FJEB Cc1ccc(-c2ccc(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)o2)cc1Cl 109867037 LFKJFINCCZBSDG-UFFVCSGVSA-N 351.793 4.829 30 40 FJEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)o1 408909225 FTMHKEUYDTUSCA-YBFXNURJSA-N 366.333 4.517 30 40 FJEB C=C(C)COc1ccccc1/C=C1\N=C(c2cccc(Cl)c2)OC1=O 651622 CTMMQZDFLNTZFH-BOPFTXTBSA-N 353.805 4.639 30 40 FJEB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 997628 MQDKLRXNNVSAKL-SUMWQHHRSA-N 354.475 4.541 30 40 FJEB C=CCn1c([C@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21 1927025 AAJAASBBXVOBBD-IBGZPJMESA-N 361.489 4.668 30 40 FJEB COc1ccc(CC/N=C(\N)[C@H](C)c2ccc(C(C)C)cc2)cc1OC 2144964 UFRHOSKAFOVMIR-MRXNPFEDSA-N 354.494 4.531 30 40 FJEB biogenic COc1ccc(CNc2oc(Cc3cccc4ccccc34)nc2C#N)cc1 2425808 XDXNKFFVZUPJII-UHFFFAOYSA-N 369.424 4.911 30 40 FJEB CCc1c(C)sc(NC(=O)c2c(-c3ccccc3)noc2C)c1C#N 2736348 FVZYYLHKEIXWAJ-UHFFFAOYSA-N 351.431 4.706 30 40 FJEB C=CCSc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1 5100886 DIDHSEGZEOKIAJ-UHFFFAOYSA-N 356.472 4.835 30 40 FJEB CCOc1ccc(Nc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1 6242653 FPDLEAYYYWHKDV-UHFFFAOYSA-N 369.808 4.921 30 40 FJEB CC(C)(C)c1ccc(-c2nnc(SCC#N)n2Cc2ccccc2)cc1 7736654 BFVYEZXPZUHZMJ-UHFFFAOYSA-N 362.502 4.907 30 40 FJEB Cc1ccc(/C(=N\Cc2ccccc2)NC(=S)N2CCCCCC2)cc1 11990781 NIXRUXORTDNGIM-UHFFFAOYSA-N 365.546 4.692 30 40 FJEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1 15009757 QJUDVTCHBGKWSR-RGVLZGJSSA-N 363.398 4.701 30 40 FJEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/C[C@@H]3C=CC[C@H]23)c1 97991822 OOLPSPFENZMUGE-ZMVSXGSVSA-N 359.804 4.597 30 40 FJEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1 101473025 NFGYQCCDTPONKE-UHFFFAOYSA-N 352.196 4.954 30 40 FJEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 224973810 DKEBJFIZQFDOOV-UHFFFAOYSA-N 361.532 4.913 30 40 FJEB CCOC(=O)c1cccc(N)c1N(C)c1ccc(-c2ccccc2C#N)cc1 1570003320 XHXLBZXEEVEHIA-UHFFFAOYSA-N 371.440 4.752 30 40 FJEB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 4700410 YLYHAVZQLDOIDV-SNVBAGLBSA-N 360.866 4.659 30 40 FJEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCCC[C@@H]2C)C1=O 9485293 GGXICYRPSWUPLF-DZBQEORWSA-N 369.486 4.753 30 40 FJEB COc1cc(OC)cc(C(=O)/N=C(/c2ccccc2)c2ccc(C)cc2)c1 102946776 AXRZANCIXJDDKQ-GYHWCHFESA-N 359.425 4.690 30 40 FJEB C[C@@H]1N(C2CCCCC2)C2=C(C(=O)CCC2)[C@@H](C)N1Cc1ccccc1 222188356 QAGILMRZNWONPW-MSOLQXFVSA-N 352.522 4.879 30 40 FJEB C=CCOc1ccc(NC(=S)NCCCc2ccccc2OCC)cc1 225397811 ZCUNYWCAYLKPBT-UHFFFAOYSA-N 370.518 4.569 30 40 FJEB C=CCOc1cccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)c1 225633175 MQRRRIRNXVAFJM-KRWDZBQOSA-N 354.519 4.807 30 40 FJEB CCCn1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c2ccccc21 408900436 YKSCSNBMGAKQCQ-UHFFFAOYSA-N 374.484 4.752 30 40 FJEB O=C(c1ccc(Br)s1)C(F)(F)C(F)(F)C(F)(F)F 575361640 ATKVHNPISYVLIB-UHFFFAOYSA-N 359.060 4.526 30 40 FJEB COc1ccc(-n2ccnc2SCC#Cc2ccc(Cl)cc2)c(C)c1 1641054678 CYHLDUZMNQFBAM-UHFFFAOYSA-N 368.889 4.987 30 40 FJEB O=C(/C=C/c1ccco1)C(C(=O)/C=C/c1ccco1)=C1SCCCS1 1083132 CDXRSHKKQZISJY-CDJQDVQCSA-N 372.467 4.819 30 40 FJEB O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)cc1 3029307 FGNLNCYTDGSIQK-UDWIEESQSA-N 363.329 4.626 30 40 FJEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(CC)cc3)NC2=O)cc1 5551295 AYMSVEPQZCTQLT-RGEXLXHISA-N 364.470 4.705 30 40 FJEB CCOc1ccc(-c2csc(N/N=C/c3ccc(N(C)C)cc3)n2)cc1 6350616 VAXMBZDIDRVXFI-FYJGNVAPSA-N 366.490 4.721 30 40 FJEB COc1ccc(SCCCC(=O)Nc2sc(C)c(C)c2C#N)cc1 10218074 YIMZUTWQFKHQDO-UHFFFAOYSA-N 360.504 4.756 30 40 FJEB N#Cc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)c(F)c1 10517228 IGOOWCMQPFRYJR-UHFFFAOYSA-N 357.388 4.674 30 40 FJEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O 35455592 WTDIRAZPDUAJEB-QKSOIWCDSA-N 350.499 4.829 30 40 FJEB biogenic,in-vitro C=CCCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 59520228 ADRMJZUAEHWZHR-UHFFFAOYSA-N 352.478 4.746 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1OC 103762850 SJMFNKNJXWXSFS-UHFFFAOYSA-N 362.514 4.671 30 40 FJEB CCCCOC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795769 XMTBKWFPAVYAMH-UHFFFAOYSA-N 364.204 4.798 30 40 FJEB NC(=O)Cn1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c2ccccc21 409385112 JFAHLXWARXSFBR-AFUMVMLFSA-N 369.424 4.670 30 40 FJEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)[C@H]1C(=O)c3ccccc3C1=N2 647703 JRXSRKAFTLYWSY-AZUAARDMSA-N 361.828 4.746 30 40 FJEB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 3219696 ZFJJIZVKLDIZLD-UHFFFAOYSA-N 369.833 4.596 30 40 FJEB CC(C)COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 59105787 BKRJIKCUDFFNFG-WOJGMQOQSA-N 370.449 4.752 30 40 FJEB Cc1c(C(=O)Nc2cccc(F)c2C#N)oc2ccc(Br)cc12 109991364 FBIQETJEYYQVEO-UHFFFAOYSA-N 373.181 4.767 30 40 FJEB COc1ccc(/C=C2/SC(=Nc3ccccc3C)NC2=O)cc1Cl 408771855 ISMDUKVQDRZQEC-MHWRWJLKSA-N 358.850 4.549 30 40 FJEB CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 408937298 IRVAYACGPIQSON-CXUHLZMHSA-N 362.212 4.889 30 40 FJEB Cc1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(C#N)cc1 1400931 KTFQPYLZVYJYOP-UHFFFAOYSA-N 356.307 4.530 30 40 FJEB COc1cccc(-c2csc(/C(C#N)=N\Nc3ccc(C)cc3C)n2)c1 4175529 XWZDLKTWZAIXKA-MOHJPFBDSA-N 362.458 4.775 30 40 FJEB COC(=O)C[C@@H](C/C(C)=N/O)c1cn(Cc2ccccc2)c2ccccc12 4733467 HQRNKAHCCNGZID-OZHVRZOASA-N 364.445 4.577 30 40 FJEB N#Cc1ccc(Cl)cc1NC(=O)COc1cc(Cl)ccc1Cl 7007630 MYPLFZNFUCLDBX-UHFFFAOYSA-N 355.608 4.536 30 40 FJEB O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccccc1 13627613 UZQNDYHWVUEPNO-NDENLUEZSA-N 362.406 4.626 30 40 FJEB O=c1oc2ccccc2c(NC2CCCC2)c1/N=C(\O)c1ccccc1F 20533780 GHRHZFRAIQGMBU-UHFFFAOYSA-N 366.392 4.923 30 40 FJEB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225846891 XSJCFTRHYGRLOC-NRFANRHFSA-N 360.498 4.907 30 40 FJEB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C#N 225854550 KNLIGNCYDBPPJJ-IIBYNOLFSA-N 358.482 4.661 30 40 FJEB C#CCOc1ccc2ccccc2c1/C=C1\Sc2ccccc2NC1=O 409107860 RPHPOHFTJMMISW-STZFKDTASA-N 357.434 4.937 30 40 FJEB C[C@@H]1C[C@@H](C)CN([C@H](C)CNc2oc(-c3ccc(Cl)cc3)nc2C#N)C1 1775965134 VPZWYPXRNUGSRE-RBSFLKMASA-N 372.900 4.645 30 40 FJEB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 997629 MQDKLRXNNVSAKL-DYVFJYSZSA-N 354.475 4.541 30 40 FJEB N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 3253184 CBAOXQQPGPDLJN-FQEVSTJZSA-N 359.816 4.983 30 40 FJEB CSc1nc(NCc2ccco2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820522 NAOCNTJVBXGOIV-UHFFFAOYSA-N 356.838 4.596 30 40 FJEB C=CCn1c(SCc2ccccc2)nnc1[C@@H](C)Oc1ccccc1 35682601 FDJPDSQHLAAMFQ-MRXNPFEDSA-N 351.475 4.896 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2ccc(OC(F)(F)F)cc2)cc1 51318880 HVIUAMIAAJDFJC-VAWYXSNFSA-N 351.324 4.792 30 40 FJEB C=CCNC(=O)c1ccc(OCC)c(COc2ccccc2C(C)(C)C)c1 224507179 IRQKXXOIHCZORH-UHFFFAOYSA-N 367.489 4.878 30 40 FJEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224927238 KUFXVTDLMOKHIJ-UHFFFAOYSA-N 370.301 4.992 30 40 FJEB CCOc1ccc(N2[C@@H](C#N)c3ccccc3O[C@@H]2c2ccccc2O)cc1 5011973 MCWQQRGTBXLSTJ-NZQKXSOJSA-N 372.424 4.953 30 40 FJEB CCCn1nnnc1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 6139060 PNIDUPCOSRHJQC-HZHRSRAPSA-N 371.444 4.566 30 40 FJEB CC/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CC 6634101 INDORDWZXMQIAX-JTHVCAJSSA-N 360.866 4.912 30 40 FJEB N#C[C@H](C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2[nH]1 12523632 RBFMHXZDSQDXJV-GOSISDBHSA-N 353.381 4.845 30 40 FJEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 408754144 IQXIONOZURGEOO-BIENJYKASA-N 351.793 4.946 30 40 FJEB Fc1ccc(-c2nnc(CO/N=C/c3ccc(Cl)c(Cl)c3)o2)cc1 8342225 PPBYJWKZFUHGEL-DNTJNYDQSA-N 366.179 4.733 30 40 FJEB COc1ccc(C(=O)/C(=C/c2ccccn2)c2nc3ccccc3o2)cc1 9422042 NAHUTPNSFIQFCP-JXAWBTAJSA-N 356.381 4.655 30 40 FJEB C=CCn1c(SCc2ccc(F)cc2Cl)nc2ccsc2c1=O 11271117 XAGVECVQOSZDFC-UHFFFAOYSA-N 366.870 4.729 30 40 FJEB Fc1nc(N2CCCCC2)c(F)c(SC(F)(F)C(F)(F)F)c1F 98002609 TWHMXSMXSZWZQI-UHFFFAOYSA-N 366.277 4.736 30 40 FJEB C#CCOc1ccccc1CNc1ccc(Br)c(Cl)c1 218015358 HIHWMHVXOYRSMP-UHFFFAOYSA-N 350.643 4.727 30 40 FJEB N#CCc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1 225612083 XZVZBQWYMAFPGO-UHFFFAOYSA-N 373.522 4.502 30 40 FJEB CCc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1 12648650 FYYBVYGIAHPZIH-UHFFFAOYSA-N 352.441 4.924 30 40 FJEB C=CCN(C(=O)c1cc(Cl)ccn1)c1nc(-c2ccccc2)cs1 14015734 ZUEMNPRFKJSDDM-UHFFFAOYSA-N 355.850 4.691 30 40 FJEB COc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccccc2)NC1=O 15011743 JWNWKUOXSQLIFQ-CPNJWEJPSA-N 360.438 4.740 30 40 FJEB O=C1NC(=N\c2cccc(C(F)(F)F)c2)/C(=C/c2ccccc2O)S1 32597729 HULJEXIKNPNNTM-ZSOIEALJSA-N 364.348 4.939 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(F)c1 105651264 REVXXHOTPPYFHC-UHFFFAOYSA-N 350.478 4.801 30 40 FJEB C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928629 XIISKOBDMPFZPL-SLPWJLCXSA-N 360.538 4.878 30 40 FJEB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C#N 225841013 KKEAIHYIJIYVIN-OAQYLSRUSA-N 360.498 4.907 30 40 FJEB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C#N)c2ccccc21 226362137 RKLXUOAHTQPLSB-LLVKDONJSA-N 359.212 4.927 30 40 FJEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC 299888470 KIQQMECNKUGGKA-GOMYTPFNSA-N 369.505 4.715 30 40 FJEB C=CCCc1ccccc1NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 529090857 OBZXUUOAUVOCNR-UHFFFAOYSA-N 374.488 4.641 30 40 FJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 2055164 GPZJJXIUPZFVPW-HXUWFJFHSA-N 367.489 4.552 30 40 FJEB C#CCn1c([C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 4033322 SVEORZAJRSQBLH-LJQANCHMSA-N 371.484 4.533 30 40 FJEB Cc1ccc(C(=O)OCC#CCSc2nc3ccccc3s2)cc1 4689874 UTZXZDFGVJUDCI-UHFFFAOYSA-N 353.468 4.557 30 40 FJEB Cc1ccc(N/C(S)=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 8687738 QOIKANQFACDYHM-UHFFFAOYSA-N 360.792 4.787 30 40 FJEB Cc1ccc(/N=C2/N[C@@H]3N=C(c4ccc(Cl)cc4)S[C@@H]3S2)cc1 41097430 TYPVLNCMGLIMDX-GOEBONIOSA-N 359.907 4.818 30 40 FJEB C=CCOc1ccc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 219641250 UCTYUYWJEBJXPI-NRFANRHFSA-N 353.462 4.777 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 409089347 MBXZSNYYIPJQNY-RVDMUPIBSA-N 357.456 4.962 30 40 FJEB Cc1ccc(NC(=O)[C@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)cc1 883029 HSRXIGJKOZMDIV-KRWDZBQOSA-N 363.848 4.826 30 40 FJEB N#Cc1ccc(OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)cc1 3278301 LIILTXFTQATIEU-QFIPXVFZSA-N 361.372 4.884 30 40 FJEB Cc1ccc2[nH]c3nc(N/N=C/c4c(Cl)cccc4Cl)nnc3c2c1 4577811 UXRGUYFGOCUGDD-DNTJNYDQSA-N 371.231 4.567 30 40 FJEB CC(=O)Nc1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccc(C#N)cc1)N2 4623712 OILWODRAFQCEER-BSXOAJBOSA-N 357.457 4.813 30 40 FJEB C=CCOc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1 21170853 DWKZKIAIASXKCF-OAQYLSRUSA-N 370.537 4.512 30 40 FJEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1 36631349 RLMZJONRGMWBHP-UHFFFAOYSA-N 371.893 4.989 30 40 FJEB COc1cc(/C=N/c2ccccc2)ccc1OCc1cccc(C(=O)O)c1 59678420 QJBZFHSAIZFYDK-OEAKJJBVSA-N 361.397 4.723 30 40 FJEB C(=N/OCc1ccccc1)\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 96941128 UTNVJJUIGAINSY-FSRQGDLASA-N 374.484 4.653 30 40 FJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cccs2)cc1 104094092 MFODKBFVLHOKCF-UYRXBGFRSA-N 356.472 4.608 30 40 FJEB Cc1ccc(Cl)cc1/N=C1/NC(=O)/C(=C/c2cc(C)c(O)c(C)c2)S1 107713199 RGFNDJYDXFBKTP-PXNMLYILSA-N 372.877 4.862 30 40 FJEB CC(C)(C)OC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795781 XCCWGPMIEPOYAO-UHFFFAOYSA-N 364.204 4.796 30 40 FJEB C=CCOC(=O)c1ccc(OCc2ccccc2C)c(Br)c1 216817617 UHUUAKPHEJEWKX-UHFFFAOYSA-N 361.235 4.679 30 40 FJEB C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224933303 QMTXBPZOEKMFBL-UHFFFAOYSA-N 370.301 4.937 30 40 FJEB CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@H](C)C1 225832641 FAJAIBHLIWGGNX-KKSFZXQISA-N 358.482 4.517 30 40 FJEB CC(C)NC(=O)COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1 408807495 DAPUPXPUYPUHFH-FBHDLOMBSA-N 365.260 4.647 30 40 FJEB COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1C 408882441 NEGGTVLMQYUZKH-MFOYZWKCSA-N 372.877 4.857 30 40 FJEB CCOc1ccccc1Nc1nnc(SCc2ccccc2C#N)s1 6223730 QBBWZLLQZNGSPC-UHFFFAOYSA-N 368.487 4.844 30 40 FJEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(O)cc1 7140985 HKHQTTSYXUHQRZ-JLHYYAGUSA-N 367.408 4.536 30 40 FJEB CCCc1s/c(=N/N=C/c2ccccn2)[nH]c1-c1cc(C)ccc1C 19894524 YLNYUVLPIJNZIX-LPYMAVHISA-N 350.491 4.642 30 40 FJEB N#Cc1ccc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 40151602 AURAWVIYBJFRBF-FQEVSTJZSA-N 359.454 4.799 30 40 FJEB OC1=NC(=N\c2cccc(OC(F)(F)F)c2)/C(=C\c2ccncc2)S1 95475255 KKMBNJNEMGSROM-MDWZMJQESA-N 365.336 4.712 30 40 FJEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(Br)cc1)C2 100006225 VXYHEEIGJJGNHL-MOMDUKOGSA-N 350.256 4.808 30 40 FJEB Fc1cccc(F)c1/C=N/NC(=S)Nc1ccc(Cl)c(Cl)c1 3238272 QODODPOYCOJYPS-FBCYGCLPSA-N 360.216 4.592 30 40 FJEB C[N+]1(C)CCC(c2ccccc2)(c2ccccc2)C(=O)[C@H]1Cc1ccccc1 4692433 LOUDGEIFJOWHQX-XMMPIXPASA-N 370.516 4.633 30 40 FJEB CCn1cc(/C=C2/Oc3cc(OC(=O)C4CC4)ccc3C2=O)c2ccccc21 9423704 WKUOHDKTSBHAKS-SRZZPIQSSA-N 373.408 4.593 30 40 FJEB CC(/C=C(\C)c1ccc(C)cc1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13407704 UQJVWPLGIHPMOU-ANMLQGLPSA-N 354.366 4.703 30 40 FJEB C[C@@H](CC(=O)N[C@@H](C#N)C1CCCCC1)c1cccc(C(F)(F)F)c1 72313187 GYRQDXALMRRRAZ-GUYCJALGSA-N 352.400 4.788 30 40 FJEB N#Cc1ccccc1CO/N=C/c1cccc(OCc2ccc(F)cc2)c1 408597178 YCCJUTYMJGMXFF-AFUMVMLFSA-N 360.388 4.827 30 40 FJEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)o1 408963431 ZKIFKNUEWPUBFD-NHDPSOOVSA-N 364.357 4.920 30 40 FJEB O=C1CCCC/C1=C/Nc1ccc(Br)cc1Br 409104094 DJXNHOYYTNNRRF-HJWRWDBZSA-N 359.061 4.651 30 40 FJEB C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 409133392 LHSALRVQYJHXGY-NTCAYCPXSA-N 362.473 4.552 30 40 FJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(C(=O)O)c2)cc1OC 409383469 YMJQZBMPKZGLQM-KIHMUJGBSA-N 361.825 4.975 30 40 FJEB COc1cc(/C=C2\Oc3ccc4ccccc4c3C2=O)cc(Cl)c1O 1775965033 QWYJXDGETAEGMC-YVLHZVERSA-N 352.773 4.824 30 40 FJEB N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c2sc3ccccc3n2c1=O 3262741 DSBFZSMQDABEBW-UHFFFAOYSA-N 361.813 4.578 30 40 FJEB COc1ccccc1/N=C1\SCCCN1C(=O)c1cccc(Cl)c1 3433626 OCMCUOWOIMOBIG-ZZEZOPTASA-N 360.866 4.615 30 40 FJEB N#Cc1ccc(CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1 5175969 OROLMDCMXNFRHF-UHFFFAOYSA-N 359.476 4.966 30 40 FJEB N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccco2)n1-c1ccccc1 6580211 ACHWOSCKELKYJI-GOSISDBHSA-N 372.453 4.754 30 40 FJEB C=CCOc1c(Cl)cc(CNCc2ccccc2Cl)cc1OC 8470160 PZMHMFMNPNNVAB-UHFFFAOYSA-N 352.261 4.857 30 40 FJEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 9013107 RFWQQFDKVNCOBY-FQEVSTJZSA-N 363.457 4.845 30 40 FJEB C[C@H](CC(=O)N[C@H](C#N)C1CCCCC1)c1cccc(C(F)(F)F)c1 72313190 GYRQDXALMRRRAZ-CXAGYDPISA-N 352.400 4.788 30 40 FJEB CCOc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1 408592184 LLJMWZVNSYSPRV-MFKUBSTISA-N 373.456 4.915 30 40 FJEB N#CCCC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 570702703 UJSFUIORTCRMNJ-DEOSSOPVSA-N 372.516 4.547 30 40 FJEB Cc1ccc(C)c2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)c(C#N)cc12 933894 QMVKRTIINCIVPF-KSSFIOAISA-N 367.518 4.510 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1 984385 NRHBLGFDHIYWKL-IBGZPJMESA-N 355.437 4.624 30 40 FJEB Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)o1 8550940 QTEDINBOUXQGMN-NTUHNPAUSA-N 353.230 4.786 30 40 FJEB CC(C)(C)[C@H]1CCc2c(sc(NS(=O)(=O)c3ccccc3)c2C#N)C1 59413253 MXEKUBGRRDPKEO-ZDUSSCGKSA-N 374.531 4.572 30 40 FJEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2C#N)o1 100273220 AAAYRIDZGBBNGF-DEDYPNTBSA-N 353.381 4.624 30 40 FJEB FC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103537656 HVEXDQOEFGONNC-UHFFFAOYSA-N 368.064 4.626 30 40 FJEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cccc(O)c1 408749355 NPWZPUIDFGQLIV-VGOFMYFVSA-N 365.241 4.591 30 40 FJEB COc1ccc(/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409214972 VPQDDDZSAMHWTO-IWIPYMOSSA-N 374.440 4.772 30 40 FJEB CNc1ccc(/C=C/C(=O)c2ccc3cc(OC)ccc3c2)cc1[N+](=O)[O-] 5693300 YZPIZQRDJTXVLV-ONNFQVAWSA-N 362.385 4.694 30 40 FJEB C=CCSc1nnc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)s1 10414459 YAVOPCXMKIHWPJ-VIFPVBQESA-N 371.940 4.589 30 40 FJEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 18196738 IGICTESTJNVZKL-LJQANCHMSA-N 353.805 4.633 30 40 FJEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCC(Oc3ccccc3F)CC1)C2 100731121 JGESHDRSJPUELM-KSFYIVLOSA-N 357.469 4.578 30 40 FJEB C#CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl 408603184 BHJKANXHRSJSFI-UHFFFAOYSA-N 351.189 4.526 30 40 FJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2c1 4849193 IPMRMHBVWOBXRI-KSSFIOAISA-N 367.518 4.510 30 40 FJEB C=CCSc1nnc(-c2ccccc2NC(=O)/C=C/c2ccccc2)o1 23993989 SAAQILMXGRZDFW-OUKQBFOZSA-N 363.442 4.667 30 40 FJEB Oc1ccc(/C=N/Cc2ccco2)c(O)c1Cc1c(F)cccc1Cl 100331806 DJTMMSDNIFQPCO-LSHDLFTRSA-N 359.784 4.693 30 40 FJEB CCCCCCCC/C=C\CCCCCC(=O)OCCC[C@H](O)CO 100503505 LKEJFIOAQPYKFQ-QJRAZLAKSA-N 356.547 4.920 30 40 FJEB O=C1NC2=C(C(=O)c3ccccc32)[C@@H](c2ccc(Br)cc2)S1 101064144 BAHJLKNVJCQUCM-MRXNPFEDSA-N 372.243 4.554 30 40 FJEB C=CCNC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2C)c1 224606398 CIVQNUMODDGHAF-UHFFFAOYSA-N 353.462 4.505 30 40 FJEB CCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O 408877258 UOZSPZBQQHCCEZ-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB N#Cc1nc(-c2cccc3ccccc23)oc1NCc1ccc2c(c1)OCO2 2437186 OXWJGHNUUIEMCV-UHFFFAOYSA-N 369.380 4.707 30 40 FJEB C#CCn1c([C@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 4033323 SVEORZAJRSQBLH-IBGZPJMESA-N 371.484 4.533 30 40 FJEB CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 4079547 VSAQNMMPHHJRNY-UHFFFAOYSA-N 363.442 4.721 30 40 FJEB O=C1/C(=N\Nc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 4578363 PGKOQCRCBHZXGC-GFMRDNFCSA-N 374.831 4.559 30 40 FJEB C=CCn1c(SCc2ccccc2C)nc2sc(C)c(C)c2c1=O 5072212 JONFGGBJENUTLS-UHFFFAOYSA-N 356.516 4.862 30 40 FJEB COc1cc2c(c(OC)c1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 12349265 SXZRCSJYTPMHFK-LJQANCHMSA-N 369.848 4.922 30 40 FJEB C=CCn1c(COc2ccccc2)nnc1SCc1ccccc1Cl 14087873 APUMOCIMFLTBPF-UHFFFAOYSA-N 371.893 4.989 30 40 FJEB Cc1cc(/C=C2\Cc3c(O)cccc3C2=O)cc(C)c1OCc1ccccn1 32831821 XYNNCMOCJLAJIS-LDADJPATSA-N 371.436 4.805 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC1=S 408601193 IYAFGVNLXVBQIK-DHDCSXOGSA-N 363.410 4.612 30 40 FJEB Cc1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccccn1 409244201 ZIMHVLCZAVHOEQ-JJFYIABZSA-N 353.809 4.591 30 40 FJEB Cc1ccccc1-c1nnc(C)n1-c1ccc(Oc2cccc(C#N)n2)cc1 533687048 WVIOCEYBEIRWKD-UHFFFAOYSA-N 367.412 4.610 30 40 FJEB N#C[C@H]1N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 5946730 VQWGIAVVVIAMCC-FQEVSTJZSA-N 371.827 4.687 30 40 FJEB C=CCN(C(=O)c1cnc2ccccc2n1)c1nc(-c2ccccc2)cs1 6648210 MCROYVVLCPGSBJ-UHFFFAOYSA-N 372.453 4.586 30 40 FJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)cc1 49548006 IOVULQCMIXXXAI-MRXNPFEDSA-N 362.820 4.580 30 40 FJEB CCOC(=O)c1c(N/C=C2\Sc3ccccc3C2=O)sc(C)c1C 100209437 INYQMKMBYJTJDP-ZROIWOOFSA-N 359.472 4.784 30 40 FJEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cccc(O)c1 408777208 WIRPBMJLYGVNJS-JYRVWZFOSA-N 365.241 4.591 30 40 FJEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 5680128 DKKWXSMPKSCOST-YBFXNURJSA-N 364.386 4.911 30 40 FJEB COc1ccc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3[nH]2)cc1 6187506 LCTLAVRCAYXOFH-CYVLTUHYSA-N 354.409 4.995 30 40 FJEB CCc1ccc([C@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 8466712 JLVMMVLYPFSJMT-FQEVSTJZSA-N 355.437 4.551 30 40 FJEB COCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2 9423924 NBKDLUMLENNZRT-LLVKDONJSA-N 372.456 4.862 30 40 FJEB N#Cc1c(NC(=O)CC2(C(=O)O)CCCCCC2)sc2c1CCCCC2 10023382 CQGVVPRUJWHFON-UHFFFAOYSA-N 374.506 4.642 30 40 FJEB C=CCc1cc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)cc(OCC)c1O 59249732 RMGHYDRHKFYCIF-WSDLNYQXSA-N 373.836 4.710 30 40 FJEB CCOc1ccc(C(F)(F)F)cc1/N=C/c1cccc(OCC)c1O 100222767 RMUQUTRLEGFTTO-SSDVNMTOSA-N 353.340 4.959 30 40 FJEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/Nc2ccccc2)c1C 408591790 VDSKDTBHMAHTHM-HZHRSRAPSA-N 361.445 4.717 30 40 FJEB COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CCC2 408628864 FEXYEQRTGXJAKC-UHFFFAOYSA-N 367.257 4.676 30 40 FJEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1cccs1 970020 OLQNHWHZBVJLHO-GOSISDBHSA-N 361.422 4.531 30 40 FJEB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 997627 MQDKLRXNNVSAKL-GUYCJALGSA-N 354.475 4.541 30 40 FJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 2315057 GNEGGQJTSIXAQL-UHFFFAOYSA-N 354.500 4.522 30 40 FJEB Cc1[nH]c2ccccc2c1/C=N/n1c(S)nnc1-c1cccc(Cl)c1 4740784 QZQIKGVETJIGOF-KEBDBYFISA-N 367.865 4.559 30 40 FJEB C=CCN(C(=O)c1cnc(Cl)c(Cl)c1)c1nc2c(s1)CCCC2 6309928 SQBLBEACZOFEAI-UHFFFAOYSA-N 368.289 4.557 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2F)cc1 8917570 MUVHWBSFFCOGOB-UHFFFAOYSA-N 365.404 4.826 30 40 FJEB C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1ccc(C(C)C)cc1 58166594 UILHGRFWUIYUMI-UHFFFAOYSA-N 371.484 4.878 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1 59103796 SPDJPOPYHFTEEH-UHFFFAOYSA-N 350.478 4.801 30 40 FJEB OC1=NC(=N/c2ccc(F)c(F)c2)/C(=C/c2cccc3nccnc23)S1 72400982 NGOHNJZTJMMIAO-NVNXTCNLSA-N 368.368 4.640 30 40 FJEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc1 16684079 XTATUZNOTNIJRB-WJDWOHSUSA-N 358.850 4.630 30 40 FJEB C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1OC(C)=O 35464987 TUKYTUMQZQFKNX-NCTRIBDUSA-N 360.494 4.748 30 40 FJEB biogenic,in-vitro CCCCCCCCCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 108909293 UIXREVFFDQGLQQ-UHFFFAOYSA-N 373.522 4.615 30 40 FJEB Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)c(C)n1-c1ccc(F)cc1 408737917 KBLDGCHLCLTXKL-SRZZPIQSSA-N 353.353 4.598 30 40 FJEB CN(C)c1ccc(/N=C\c2cc(Br)c(Br)o2)cc1 408949556 BKUHUIGAKVOIFL-PXNMLYILSA-N 372.060 4.621 30 40 FJEB COc1cccc(Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)c1 409104897 KTSPRZYOCBZCNR-FYJGNVAPSA-N 364.357 4.852 30 40 FJEB FC(F)(F)CNc1ccccc1OCC(F)(F)C(F)(F)C(F)(F)F 1083811002 LBNWRMFQKZKTSE-UHFFFAOYSA-N 373.190 4.873 30 40 FJEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(C(C)=O)[C@]4(C)CC[C@@H]32)C1 2038118194 QLMXZKMIBONXSF-VRIGVRMUSA-N 354.490 4.926 30 40 FJEB Cc1ccc(/N=C2\NC[C@H](Cc3ccc(Br)cc3)S2)cc1 853016 KTKSHXRVVYJJPI-INIZCTEOSA-N 361.308 4.693 30 40 FJEB CC(=O)Nc1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1 1236097 NZWRWOYYLFLPSY-HZHRSRAPSA-N 354.413 4.710 30 40 FJEB C=C(C)COc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 4340117 BAWAHLOFNKKJDF-UHFFFAOYSA-N 366.413 4.741 30 40 FJEB biogenic C[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2)C1=O 4902068 BEZYOBCLSRXWRT-HPNFSCGVSA-N 373.481 4.694 30 40 FJEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3CC(C)C)cc1 20746086 WCKZPDLSBWYOMC-WBVHZDCISA-N 366.461 4.948 30 40 FJEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)s1 33694571 LCFVPKBXYBSPDZ-BRMOQPHUSA-N 371.531 4.816 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(F)cc1 95482963 WMOBLWOSLUGWMX-TZIWHRDSSA-N 373.427 4.868 30 40 FJEB O=C1/C(=N/Nc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 101436263 PGKOQCRCBHZXGC-HIXSDJFHSA-N 374.831 4.559 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)SC1=S 208220323 GRYCWFPGCWGEOK-MFVBVHDHSA-N 372.559 4.796 30 40 FJEB C=CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219814257 XGUBAZZVIQMAJY-QGZVFWFLSA-N 353.487 4.997 30 40 FJEB C=Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575242737 GLBPTFJIXQJSQM-UHFFFAOYSA-N 350.180 4.981 30 40 FJEB O=C(O/N=C(/Cc1ccccc1)C(F)(F)F)C(Cl)=C(Cl)Cl 4280807 ULIRDFNSLLXOIL-UWVJOHFNSA-N 360.546 4.576 30 40 FJEB COc1cc(/C=N/Nc2ccccn2)ccc1OCc1ccc(Cl)cc1 5658149 KAMDQKJPSYLFPH-YDZHTSKRSA-N 367.836 4.769 30 40 FJEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/Cc2ccccc2)c1O)CCCC3 13119775 KJTHQCNMMLAXCE-CIAFOILYSA-N 350.374 4.545 30 40 FJEB C#Cc1ccccc1CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 1523686027 IBLJTGWRGVBUFF-UHFFFAOYSA-N 362.816 4.690 30 40 FJEB CCC(=O)O[C@@H]1[C@@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1686690 AFBZBYQKIMBONK-SSEZJGRHSA-N 362.485 4.788 30 40 FJEB biogenic CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN3CCCCC3)CC[C@@H]21 4027268 XPMGQNDZUDZVOU-IEIRFRATSA-N 353.506 4.573 30 40 FJEB biogenic CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc(OC)cc3)o2)nc1C#N 8844523 HLIMSOZEORCZGW-CYBMUJFWSA-N 367.405 4.604 30 40 FJEB N#Cc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)c(F)c1 14199388 RYSZMAVLMFYRBZ-UHFFFAOYSA-N 370.478 4.568 30 40 FJEB CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc3c4c(cccc24)CC3)c1O 16688242 PGWXEYCOQRWYRG-UUYOSTAYSA-N 362.385 4.702 30 40 FJEB CCN(CC)Cc1c(O)ccc2c1O/C(=C/c1ccc(Cl)cc1)C2=O 36065978 NEAFYMBJNVHXRD-WOJGMQOQSA-N 357.837 4.504 30 40 FJEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C#N 225685024 UUOAHYKYRYLDEW-UHFFFAOYSA-N 354.837 4.671 30 40 FJEB C#CCOC(=O)c1cc(Cl)c(Cl)c(-c2cc3ccccc3oc2=O)c1 226357706 KXFUEBHQKJYSSB-UHFFFAOYSA-N 373.191 4.557 30 40 FJEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1 408738018 LVCLHKXZCICSJY-CIAFOILYSA-N 352.369 4.587 30 40 FJEB Fc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1N1CCCCC1 409091721 UACKNSHVVYWNJP-BHGWPJFGSA-N 366.362 4.676 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 4033528 WCPJLXBBBICSKX-SFHVURJKSA-N 359.473 4.750 30 40 FJEB O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 4118310 GPWDALCEWBXTSS-OVCLIPMQSA-N 360.384 4.870 30 40 FJEB C=CCc1ccc(OCCOc2ccc(CC=C)cc2OC)c(OC)c1 4472860 SWRXYOXBYRMHLL-UHFFFAOYSA-N 354.446 4.619 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2c1C 4849116 VHVYAOYXVGMZTR-KDOFPFPSSA-N 367.518 4.510 30 40 FJEB CC1=NN([C@H](C#N)c2ccc(Br)cc2O)[C@@H](c2ccccc2)C1 12867996 HFJPDWHCRYIMBR-IAGOWNOFSA-N 370.250 4.542 30 40 FJEB CSc1nsc(S/C=C\C(=O)c2ccc(Br)cc2)n1 16248827 POIOCCWULSLTBZ-SREVYHEPSA-N 373.322 4.511 30 40 FJEB Cc1sc(NC(=O)Cc2cccs2)c(C#N)c1-c1ccc(F)cc1 2769703 KSCLEZFYKCTFQK-UHFFFAOYSA-N 356.447 4.977 30 40 FJEB CCOc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1ccccc1 5336696 WRRGKWDHDDZNHR-HYARGMPZSA-N 374.469 4.668 30 40 FJEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(N=C2CCCCC2)c1=O 5667346 NXROQGZPOPTPLJ-UHFFFAOYSA-N 359.351 4.574 30 40 FJEB C[C@H](NC(=O)COc1ccc(C#N)cc1Cl)c1ccc2ccccc2c1 12981757 SWHADMVTCWQUAE-AWEZNQCLSA-N 364.832 4.621 30 40 FJEB CCOc1ccc(/C=N\Nc2cccc(C(F)(F)F)c2)cc1OCC 33677059 SJPBXWCGNRKCDC-UUYOSTAYSA-N 352.356 4.949 30 40 FJEB CCc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2CC)cc1 101559834 AFOZKEYNMPCSOC-BIXZQSIESA-N 352.459 4.579 30 40 FJEB C=CCNC(=O)c1ccc(OCC)c(COc2ccccc2C(C)C)c1 224562417 SGPAOBINHJGIKB-UHFFFAOYSA-N 353.462 4.704 30 40 FJEB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c(C#N)c1 225833103 RAGUOKGYJPPTLW-IERDGZPVSA-N 358.482 4.661 30 40 FJEB COc1cccc(/C=N/c2cccc(-c3cc4ccccc4oc3=O)c2)c1O 725964 IFWHXDQMDJOKLE-ZVHZXABRSA-N 371.392 4.925 30 40 FJEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3c1ccc(O)c(O)c1 1069570 ZREQECYWWGBHBW-OAQYLSRUSA-N 372.424 4.519 30 40 FJEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cnccn1 2381447 WGRRKZOWPBLGKM-UHFFFAOYSA-N 365.506 4.511 30 40 FJEB Cc1ccc(N(CCC#N)C(=O)CSc2nc3ccccc3s2)cc1 2624728 OFGGMXWLGNMJGH-UHFFFAOYSA-N 367.499 4.644 30 40 FJEB C/C(=N\OC(=O)c1ccccc1F)c1ccc(N2CCCCC2)c(F)c1 4455817 PRJHXPKFBCRSOE-OEAKJJBVSA-N 358.388 4.536 30 40 FJEB CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 4554796 MJYPMNUPXCYEEQ-CYBMUJFWSA-N 354.475 4.786 30 40 FJEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)ccc1O 12419079 DNNAZUFXTGROKI-NRFANRHFSA-N 372.424 4.514 30 40 FJEB N#CCOc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 16181632 NQAWRRDMWTXXAQ-UHFFFAOYSA-N 362.360 4.773 30 40 FJEB C=CCN1CCC2(CC1)C[C@H](NCc1ccc(C)s1)c1ccccc1O2 96242776 NYHJTFFLOJMVDC-FQEVSTJZSA-N 368.546 4.691 30 40 FJEB CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225371538 NADZGKXNRXINQI-YRNVUSSQSA-N 352.430 4.779 30 40 FJEB O=[N+]([O-])c1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1 408849672 XOWVYZNJLPZCQG-UNOMPAQXSA-N 370.206 4.899 30 40 FJEB O=C(c1ccc(COc2cc(F)ccc2F)cc1)C(F)(F)C(F)(F)F 575242680 FUQXYOAOIPZVBS-UHFFFAOYSA-N 366.232 4.924 30 40 FJEB COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC#N)n2)cc1 2118280 RTTVSOJJJVMWJF-UHFFFAOYSA-N 363.467 4.973 30 40 FJEB Cc1ccc2c(c1)s/c(=N/N=C/c1ccccc1O)n2Cc1ccccc1 4703538 KWNPRVGXNDZZFX-WSBZWDBJSA-N 373.481 4.700 30 40 FJEB CCc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 4848953 WINKLGNOWNXBTQ-UHFFFAOYSA-N 365.433 4.539 30 40 FJEB CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc(OC(F)F)cc1 12661007 DVOFOYKEHIVZJA-QQGUOSOASA-N 373.428 4.621 30 40 FJEB CCc1ccccc1/N=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 13126166 HVDDSOSHLXTHSB-ZMOGYAJESA-N 354.413 4.686 30 40 FJEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 16308240 AMEBPNYDAVZDTH-QGFLDLQWSA-N 373.456 4.505 30 40 FJEB C=CCSc1ccccc1C(=O)NCCOc1ccc(C)c(Cl)c1 224171807 MUUGEIIYDHOFEC-UHFFFAOYSA-N 361.894 4.735 30 40 FJEB Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1 408740726 LWZHJIPDWKOOOL-HYARGMPZSA-N 362.433 4.819 30 40 FJEB N#Cc1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCCCCC2 4611999 UVAKOLQUGUVRCD-UHFFFAOYSA-N 374.893 4.950 30 40 FJEB COc1ccc(-c2nnc(SCCC#N)n2[C@H]2CCCC[C@@H]2C)cc1 6974765 PASOOUJCAGJQIL-YOEHRIQHSA-N 356.495 4.711 30 40 FJEB COc1cc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)ccc1OCC#N 7264128 PHWHBPWCYSLOEV-PKNBQFBNSA-N 364.445 4.681 30 40 FJEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCCCCC2)C1=O 8991634 ABBYODUDCVKUEH-PDGQHHTCSA-N 369.486 4.754 30 40 FJEB C=CCSc1nc2ccccc2n1CC(=O)Nc1c(C)cc(C)cc1C 12520337 LCVMKBHDOSVZOV-UHFFFAOYSA-N 365.502 4.878 30 40 FJEB C(=N/c1ccc2c(c1)[C@@H](N1CCOCC1)c1ccccc1-2)\c1ccccc1 17326633 AIYDZRXBGAPSRJ-IOCYEQIYSA-N 354.453 4.839 30 40 FJEB C#CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OC 408610635 QUIYBDYNCWIECB-UHFFFAOYSA-N 354.208 4.765 30 40 FJEB CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CCc1ccccc1 1463406 JHVWDTZRSZFXBB-UHFFFAOYSA-N 355.437 4.728 30 40 FJEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1Cl 3568754 GWCZMFUPMBZWQW-UHFFFAOYSA-N 353.559 4.675 30 40 FJEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccccc2)C1=O 4942635 UXMMFUKNAJCASB-LGMDPLHJSA-N 365.454 4.539 30 40 FJEB C[C@@H](NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1cccs1 6409024 IXTXMEBXMQZDPT-OAHLLOKOSA-N 362.454 4.543 30 40 FJEB C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2Nc2ccc(C#N)cc2)[C@@H]1C 9553817 DOLAWJXGFDDMGH-DJDZNOHASA-N 363.505 4.834 30 40 FJEB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cccc(C#N)c2)cc1 10950284 RRNQFUCGOGIUGH-JOCHJYFZSA-N 353.425 4.633 30 40 FJEB C/C(=N\OC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 16137246 LMTPCDXCUKYBBO-KEBDBYFISA-N 351.189 4.801 30 40 FJEB O=C1CCCC2=C1C(c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 19596587 QEXMYNHWSQXBPT-UHFFFAOYSA-N 362.256 4.694 30 40 FJEB N#C[C@H](C(=O)C1=Cc2ccccc2OC1)c1nc2cc(Cl)ccc2s1 84579342 ZJQMMMMKIOOADU-CQSZACIVSA-N 366.829 4.602 30 40 FJEB O=C(NC1CCCCC1)c1c(/N=C/c2ccncc2)sc2c1CCCC2 1015013 DKZMUABPRKWHEK-OEAKJJBVSA-N 367.518 4.835 30 40 FJEB Cc1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1Cl 13896537 WMHSLFZHIVQGTB-ATJXCDBQSA-N 367.880 4.559 30 40 FJEB Cc1oc(/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c(C#N)c1C 16265828 DKYBZFCYZYHOQK-ZVBGSRNCSA-N 353.309 4.826 30 40 FJEB CN1CCc2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)cc2C1 19852714 XHEJRAPJLPOFJF-UHFFFAOYSA-N 364.301 4.540 30 40 FJEB CC(=O)c1cc(C#N)c(SCc2csc(-c3ccc(C)o3)n2)nc1C 32327412 IULFYOKKVWOZRS-UHFFFAOYSA-N 369.471 4.782 30 40 FJEB CCCN1C/C(=C/c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 71806089 MZWLIBTZZBPWOB-MGYAYREDSA-N 353.412 4.727 30 40 FJEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)SC1=S 208444003 DJRPOVWOLBLNHD-BOPFTXTBSA-N 370.543 4.706 30 40 FJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2)c(Br)c1 226332412 OCICHQQKPANESZ-PKNBQFBNSA-N 373.246 4.771 30 40 FJEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/C=C/c2ccccc2)S1 408883536 QDEAVSPMBQPNHV-WIXUPIFPSA-N 370.861 4.796 30 40 FJEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(O)c(C(=O)O)c2)c1C 408967898 SPJDLAFZDYKMSF-QRVIBDJDSA-N 362.429 4.811 30 40 FJEB Fc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1 409133233 PKRUFVXGWLEKGY-NHDPSOOVSA-N 353.224 4.720 30 40 FJEB Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 710289 RNDIWMQOIIYPGO-CYBMUJFWSA-N 356.516 4.784 30 40 FJEB Cc1cc(C)nc(N/N=C/c2cccc(Oc3ccc(Cl)cc3)c2)n1 5444369 OHHPJDHAKDKEPU-CIAFOILYSA-N 352.825 4.985 30 40 FJEB CCCCOc1ccc(C(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1 5466212 XXZADINKNZPHNZ-YYDJUVGSSA-N 374.440 4.870 30 40 FJEB Cc1ccc(-c2c[n+](CC(=O)c3ccc(C(C)C)cc3)c3n2CCC3)cc1 16972194 RAQQOVYWRHNLBK-UHFFFAOYSA-N 359.493 4.704 30 40 FJEB C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccn1 32973760 HMVMOUZTPQSYGL-HNNXBMFYSA-N 359.454 4.595 30 40 FJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccc(Cl)c(Cl)c2)c1O 38182462 YOZBESITWIFZTI-UBKPWBPPSA-N 360.584 4.707 30 40 FJEB COc1ccc(Oc2ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc2)cc1 408904911 QHKZEHARRRBNQC-FYJGNVAPSA-N 364.357 4.852 30 40 FJEB COc1ccc(C(=O)/C=C/c2csc(C)n2)c(OCc2ccccc2)c1 4793964 MDBRKAHZGINCCC-DHZHZOJOSA-N 365.454 4.935 30 40 FJEB Cc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1 34791488 IUKYONVIRMBPHT-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C(=O)OCC)cc2)cc1 51318535 JUZLPXSXBNGOFA-CCEZHUSRSA-N 367.445 4.851 30 40 FJEB C#CC[N+](CC)(CC)CC#CCN1c2ccccc2Sc2ccccc21 67192414 LIZDTYRHTGVYSQ-UHFFFAOYSA-N 361.534 4.783 30 40 FJEB Fc1cccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 408976050 OWTNMJVTZCLNRY-MUDSWDHVSA-N 354.200 4.847 30 40 FJEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1OCc1cccc(Cl)c1 2297736022 AOGLZIXSLYGWST-UHFFFAOYSA-N 372.701 4.835 30 40 FJEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1Cl 719411 POLYHOZBMWHCQQ-NSHDSACASA-N 374.893 4.724 30 40 FJEB CCN(CC)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 3893412 KCTSKRFNJMIWPY-UHFFFAOYSA-N 367.518 4.987 30 40 FJEB N#Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCC2 4071767 AEAITUVCYCQKJR-UHFFFAOYSA-N 350.365 4.770 30 40 FJEB N#CCSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 5360769 WHRLRBFOONXHRJ-UHFFFAOYSA-N 361.257 4.857 30 40 FJEB COc1cc(/C=N/Nc2nc3ccccc3o2)ccc1OCCC(C)C 5518996 QHCHONLKDHICIX-FYJGNVAPSA-N 353.422 4.707 30 40 FJEB COc1ccc(C)cc1N/C(S)=N/C(=O)c1cccc2ccccc12 5553096 ZZMNDGHFYUPGGL-UHFFFAOYSA-N 350.443 4.695 30 40 FJEB CCCC(=O)Nc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1 6782924 LGWIBZTZVSXVFY-YBFXNURJSA-N 354.435 4.588 30 40 FJEB Cc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4n3C)cc2)cc1 7343326 YKIJHGZLKGJKHD-BUVRLJJBSA-N 370.456 4.907 30 40 FJEB COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)[C@@H](c3ccccc3)[C@H]1CC2 18100098 TUABOXZEXOEAHC-CTFZXFHNSA-N 360.457 4.511 30 40 FJEB Cc1c(CC(=O)NC2(C#N)CCCC2)c(-c2ccccc2)nc2ccccc12 60642002 KMOPSACAIROXCM-UHFFFAOYSA-N 369.468 4.705 30 40 FJEB CSc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409404415 LEZZNJLLQSMMPG-UHFFFAOYSA-N 371.465 4.668 30 40 FJEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 2316506 MGLHUAFKDDDPMF-UHFFFAOYSA-N 368.527 4.913 30 40 FJEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 225682127 YGMDAHXQNGPUCZ-UHFFFAOYSA-N 366.436 4.935 30 40 FJEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408740742 MAVGCOWOYIUALZ-BUVRLJJBSA-N 374.488 4.869 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O 409064575 HMYSXURZOSRLFP-LDADJPATSA-N 369.417 4.627 30 40 FJEB O=C(c1ccc(Br)cc1C(F)(F)F)C(F)(F)C(F)(F)F 575243038 HDGZQIZASFFLRE-UHFFFAOYSA-N 371.021 4.848 30 40 FJEB CCCC[C@@H](CC)C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N 5466650 KURXSVKFBJITGA-CQSZACIVSA-N 363.527 4.565 30 40 FJEB N#CCSc1ccccc1NC(=O)COc1c(Cl)cccc1Cl 6918468 AWHDZJDFOSYAGH-UHFFFAOYSA-N 367.257 4.627 30 40 FJEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccccc3OC)nc1-2 32116967 ABNIVGTUDCDSTB-CIAFOILYSA-N 350.443 4.677 30 40 FJEB Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1Br 44835876 SAOOKAOTWYUWLB-CAOOACKPSA-N 369.056 4.976 30 40 FJEB CCCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 408859359 WIRUTWUFEDUETP-ATVHPVEESA-N 356.422 4.506 30 40 FJEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1C 409202735 UKTPPNJFMMABDJ-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB O=[N+]([O-])c1cccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1 1083811769 NOIFTBSHIGCZOX-UHFFFAOYSA-N 367.192 4.535 30 40 FJEB CCCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 1780585 XWXARZKMANITQT-HYARGMPZSA-N 366.490 4.632 30 40 FJEB Cc1cc(C)c(C#N)c(SC[S@](=O)c2ccc(C(C)(C)C)cc2)n1 4035527 RHHQRQUFFMNMCH-XMMPIXPASA-N 358.532 4.725 30 40 FJEB Clc1ccc2nc(N/N=C/c3ccccn3)nc(-c3ccccc3)c2c1 4183562 QKAPBQQFFOQLDB-YDZHTSKRSA-N 359.820 4.791 30 40 FJEB CCOc1cc(-c2cc(-c3ccc(C)c(C)c3)nc(N)c2C#N)ccc1O 19848454 PBIMRLOYRQLKOR-UHFFFAOYSA-N 359.429 4.591 30 40 FJEB Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 24976741 TXAAWKPACZCZMZ-HNNXBMFYSA-N 367.518 4.945 30 40 FJEB COc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1 59461349 PUYIVSBGDIAMIJ-SLCIEKFFSA-N 352.415 4.886 30 40 FJEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 408533870 RDHTXOTZOJBQSC-UYRXBGFRSA-N 365.454 4.796 30 40 FJEB COc1ccc(N/N=C(/c2ccccc2)c2noc(-c3ccccc3)n2)cc1 5518531 WTAMAFUULWNDDK-QQTULTPQSA-N 370.412 4.610 30 40 FJEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cc(C(=O)O)ccc1Cl 6545709 CRAOKWXWXDYMSY-SSDVNMTOSA-N 360.816 4.837 30 40 FJEB N#Cc1ccccc1-c1ccc(CSc2nnc(-c3cccnc3)o2)cc1 14245194 VSEDWANCGDOAOD-UHFFFAOYSA-N 370.437 4.963 30 40 FJEB C=CCc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CCCC3)c1O 16661261 HXMCQJORGTYURN-NHDPSOOVSA-N 367.430 4.591 30 40 FJEB C=CCSc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 25734325 RZRNQEBTYOJGGY-UHFFFAOYSA-N 361.850 4.642 30 40 FJEB CC(=O)Nc1ccc(/C=C2/COc3c(ccc(Cl)c3Cl)C2=O)cc1 63411782 DRUJOSOJMMOMLH-WQLSENKSSA-N 362.212 4.611 30 40 FJEB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(CC#N)cc1 225659215 XCTJJJCUEJJSCX-INIZCTEOSA-N 351.519 4.795 30 40 FJEB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C#N)cc2)cc1 6785574 LINJPYBQRDWKON-JOCHJYFZSA-N 369.424 4.728 30 40 FJEB N#Cc1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1Cl 6881649 GDQGRFLCFSLMKA-UHFFFAOYSA-N 371.824 4.655 30 40 FJEB COc1cccc(C(=O)/C(=C/c2ccccn2)c2nc3ccccc3o2)c1 9422658 BXDKDLCUOQYFBT-JXAWBTAJSA-N 356.381 4.655 30 40 FJEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1)C1=C(CCCC1=O)O2 18196574 RODZZNNYKKIVIG-JOCHJYFZSA-N 370.452 4.771 30 40 FJEB CSc1nc(Nc2cccc(F)c2)c(C#N)c(-c2ccc(C)cc2)n1 19820751 IORUWWJYUOFRNQ-UHFFFAOYSA-N 350.422 4.928 30 40 FJEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O 51366826 IJGWBVHPNOYBOJ-JIIKEMMSSA-N 365.502 4.548 30 40 FJEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)cc1 408968049 ZDABDHLMZDVMRC-QGOAFFKASA-N 366.486 4.884 30 40 FJEB Cc1ccc2c(c1)c(/C=N\Nc1c(F)c(F)c(F)c(F)c1F)c(C)n2C 409032116 IIIIIGJSIYJPMQ-VAPIAZESSA-N 367.321 4.937 30 40 FJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1/C=N/O 409076824 CJCFXRKZFPFPAD-FBCYGCLPSA-N 360.675 4.867 30 40 FJEB C=CCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 8917383 WVYVSSLAAZUJLR-UHFFFAOYSA-N 373.787 4.679 30 40 FJEB Cc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1C 12563248 WACLMPIGRGZHHF-HNNXBMFYSA-N 367.518 4.945 30 40 FJEB O=c1oc2ccccc2cc1-c1csc(N/N=C/c2ccccc2F)n1 26687461 XVMRMLGITUGNTH-UFFVCSGVSA-N 365.389 4.502 30 40 FJEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1 408782652 IIHRDRLZGIBMLE-JJIBRWJFSA-N 359.473 4.681 30 40 FJEB Oc1cc(Cl)ccc1/N=C\c1cc(Br)c(N2CCCC2)o1 408859476 URUOWUPMXRGTLK-NVMNQCDNSA-N 369.646 4.752 30 40 FJEB C=CCn1c(SCc2ccc(F)c(F)c2)nnc1-c1ccccc1OC 4197244 VCCDUGDALYWUOX-UHFFFAOYSA-N 373.428 4.710 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)cc1Cl 4664167 LAQHANQIJNREAY-MHWRWJLKSA-N 358.850 4.549 30 40 FJEB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21 6963516 QTIDDCTVNLBTHL-WAOWUJCRSA-N 361.401 4.632 30 40 FJEB N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc[nH]3)o2)cc1 22416920 GKERLVYHIMDLSC-UHFFFAOYSA-N 358.426 4.896 30 40 FJEB COc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(C(C)C)s3)s2)cc1 26572885 FAHRFFXTMCUNRL-UHFFFAOYSA-N 374.491 4.738 30 40 FJEB CN1/C(=C\C(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)c2ccccc21 100267962 VKADVDKYASBUAZ-WQRHYEAKSA-N 356.809 4.742 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(C)C 219804084 JNQCFPNCYQYOQJ-UHFFFAOYSA-N 368.502 4.603 30 40 FJEB Cc1c(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)sc2nccn12 333817447 IFPNIDVMLAAIEA-NXEZZACHSA-N 370.503 4.576 30 40 FJEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)c1C 408775750 JMYRRFPFPHOSDY-SXGWCWSVSA-N 358.850 4.554 30 40 FJEB N#CCCN(Cc1ccccc1)C(=S)Nc1cccc(C(F)(F)F)c1 6575012 QDCBYHZIBHYRTC-UHFFFAOYSA-N 363.408 4.818 30 40 FJEB C=C(Cl)CSc1nc2scc(-c3cccs3)c2c(=O)n1C 10867913 TZQXYLMWMSBDPX-UHFFFAOYSA-N 354.909 4.568 30 40 FJEB CCCCCCCNC1=C(C)C(=O)C(NCCCCCCC)=C(C)C1=O 100314142 NIJVDWSTXHDXAA-UHFFFAOYSA-N 362.558 4.806 30 40 FJEB COc1ccc(OC)c(/C=N/c2nc3c(s2)-c2ccccc2CC3)c1 408722494 JNANFTAWGJKFCX-CIAFOILYSA-N 350.443 4.677 30 40 FJEB N#Cc1cc2c(nc1SCc1cc3c(cc1Cl)OCO3)CCCC2 1476111 URMXWOKCWJCKQL-UHFFFAOYSA-N 358.850 4.506 30 40 FJEB Cc1ccc(C(=O)CSc2nc(-c3cccnc3)ccc2C#N)c(C)c1 2761199 GEUIUFBTMFUACF-UHFFFAOYSA-N 359.454 4.607 30 40 FJEB Cc1ccc(N/N=C/c2ccc(-c3cccc(C(=O)OCC#N)c3)o2)c(C)c1 5793515 QQVYKWAGYNNSSH-ZVHZXABRSA-N 373.412 4.690 30 40 FJEB C=CCn1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409029622 BCYJMSXPFHIWOT-LIMNOBDPSA-N 367.268 4.541 30 40 FJEB CCOc1ccc(/C(C)=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 4860029 OPCUXVLRMDPPJH-YDZHTSKRSA-N 366.490 4.805 30 40 FJEB C[C@H]1C/C(=N\N=C2/SCC(=O)N2c2ccc(Cl)cc2)CC(C)(C)C1 4871883 ILUUFJCKAFIIBX-VYAMPKGHSA-N 363.914 4.978 30 40 FJEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCC 8811933 FMBNYTONELJHNR-SRZZPIQSSA-N 367.276 4.915 30 40 FJEB COc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1 59461348 YEGPUHDBIISOIX-YZJQUUSSSA-N 352.415 4.886 30 40 FJEB O=C1/C(=C\c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)Oc2ccccc21 96766954 FJAZYDKJXAFRRS-RBTCHBCASA-N 370.404 4.858 30 40 FJEB CCN1/C(=C\C(=O)/C=C/c2cccc([N+](=O)[O-])c2)Sc2ccccc21 100512987 IEVXXFWUKUOEIY-LHBLNFFHSA-N 352.415 4.651 30 40 FJEB C=CCc1cc(C(=O)NCCCc2ccc(OC(C)C)cc2)ccc1OC 218656589 QZWYXSXRODCNFT-UHFFFAOYSA-N 367.489 4.574 30 40 FJEB CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C#N 225830715 AHJNKWSNKAPYTL-UHFFFAOYSA-N 358.482 4.805 30 40 FJEB CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@H](C)C1 225833309 PHFDMQYKMAROEU-KKSFZXQISA-N 358.482 4.517 30 40 FJEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1 408818002 OPGKVFHYQPQQDS-UYRXBGFRSA-N 365.454 4.660 30 40 FJEB CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408981817 CCWSMEYSHAUYCR-PXNMLYILSA-N 362.212 4.889 30 40 FJEB N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(F)c1 660514 SEDBLKOPMDBVQB-UHFFFAOYSA-N 357.816 4.593 30 40 FJEB COc1cccc(C(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1 1354327 LFUBATHMLXDOEM-UHFFFAOYSA-N 362.454 4.707 30 40 FJEB Cc1ccc(C(=O)c2sc(Nc3ccc(F)cc3)c(C#N)c2N)cc1 1427375 MQHASICSUWEZKU-UHFFFAOYSA-N 351.406 4.624 30 40 FJEB aggregator C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 3324831 NWEGWLIORIFNSR-MRXNPFEDSA-N 357.413 4.790 30 40 FJEB Cc1ccc(C[C@@H](C#N)Sc2nc3ccccc3c(=O)n2C(C)C)cc1 7007549 CVELDZQWCFDJQX-KRWDZBQOSA-N 363.486 4.513 30 40 FJEB COc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 10219195 YCJFMQCQQYVSOB-UHFFFAOYSA-N 372.515 4.628 30 40 FJEB N#Cc1cccc(/C=C/C(=O)Nc2c(F)cccc2OCc2ccccc2)c1 78813602 CYZKFTVVDMIIFZ-OUKQBFOZSA-N 372.399 4.928 30 40 FJEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O 208228146 HSGFPHJSLTXJTG-DZBQEORWSA-N 370.518 4.939 30 40 FJEB CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc12 408595449 WZGAPQMLWBAGLH-FYJGNVAPSA-N 350.374 4.697 30 40 FJEB Cc1ccc(C)c(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)c1 8368217 HLYQYFIVVQTLAG-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB N#Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 11830034 KAXCZVPUMWEXQU-UHFFFAOYSA-N 367.040 4.662 30 40 FJEB C=CCOc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1 21170858 DWKZKIAIASXKCF-NRFANRHFSA-N 370.537 4.512 30 40 FJEB O=C(/C=C\c1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1 31870826 BHUYEFNOZGAZPA-OPCYYNASSA-N 370.404 4.890 30 40 FJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1 33398987 BBHMHPXCPCYAIQ-ODLFYWEKSA-N 364.386 4.911 30 40 FJEB Cc1ccc(-c2nnc(S)n2N=C/C(Cl)=C/c2ccccc2)cc1 253616979 LEXIXSRMSXNWOC-QYLHAHPWSA-N 354.866 4.656 30 40 FJEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(-n2c(C)ccc2C)cc1 408741103 NYJHXLAVRRMBJC-NMWDDECMSA-N 370.456 4.835 30 40 FJEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1)OCO2 1051304 XHCKJDBLAHRQIU-CGOBSMCZSA-N 372.686 4.746 30 40 FJEB Cc1noc(C)c1COC(=O)c1ccccc1Sc1ccccc1C#N 2658292 GKIKWOAMBYYMCH-UHFFFAOYSA-N 364.426 4.671 30 40 FJEB Cc1[nH]c2ccccc2c1/C=N/Nc1ncc(C(F)(F)F)cc1Cl 5603631 PAJBFTREWDTUDB-GZIVZEMBSA-N 352.747 4.990 30 40 FJEB Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccs3)ccc2C1=O 13777495 UPDMAKGTUIHYPG-WQRHYEAKSA-N 362.406 4.892 30 40 FJEB CCc1c(C)sc(NC(=O)c2ccc(Br)s2)c1C#N 28225859 JGRRSEHSHDFHRS-UHFFFAOYSA-N 355.282 4.567 30 40 FJEB O=C(O)C(=O)/C(=C/c1ccc2ccccc2c1)c1ccc2ccccc2n1 40161451 KIEFXTBYKXYMFI-XMHGGMMESA-N 353.377 4.582 30 40 FJEB Cc1ccc(C)n1-c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 41542280 BJVOGACYHQPOJF-SFHVURJKSA-N 355.397 4.725 30 40 FJEB N#CCCn1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(-c2ccccc2)n1 96766601 TXCVEQXRDYCVSO-WQRHYEAKSA-N 374.831 4.610 30 40 FJEB COc1ccc(/C=N\CCCCCC/N=C\c2ccc(OC)cc2)cc1 103299983 SFJWQGWNZNTHEP-BOYKQRMESA-N 352.478 4.802 30 40 FJEB Nc1ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103598039 CVMSQHJPUTWKCU-UHFFFAOYSA-N 355.200 4.506 30 40 FJEB C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2C[C@@H]1OC(C)=O 253388412 TUKYTUMQZQFKNX-IQHZCEOMSA-N 360.494 4.748 30 40 FJEB biogenic,in-vitro COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1O 409217540 PVLPTBOTSSARJC-QGMBQPNBSA-N 354.631 4.876 30 40 FJEB CCN(CC)c1ccc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)cc1 668110 CWMQDTJZFNUOEC-GHRIWEEISA-N 350.418 4.654 30 40 FJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 826440 CBZDMVMYUYGIJA-CIAFOILYSA-N 358.357 4.594 30 40 FJEB CCOc1ccc(Nc2oc(COc3ccccc3Cl)nc2C#N)cc1 934576 RKVAMCJIGYYXQK-UHFFFAOYSA-N 369.808 4.921 30 40 FJEB Cc1cccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1C 3352921 ZZVSXBONECITHI-UHFFFAOYSA-N 356.425 4.860 30 40 FJEB O=C1C[C@@H](c2ccco2)CC(Nc2ccccc2)=C1C(=O)Nc1ccccc1 4057283 NREDSJMSHYKXOI-INIZCTEOSA-N 372.424 4.731 30 40 FJEB aggregator Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cccs3)ccc2C1=O 5150104 PUPRPRVCFGLDFU-GDNBJRDFSA-N 368.435 4.953 30 40 FJEB COc1cc(/C=N/N=C(c2ccccc2)c2ccccc2)cc(OC)c1OC 5163637 SLURJMVISUEVMM-LFVJCYFKSA-N 374.440 4.584 30 40 FJEB N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1cccs1)N1CCCC1 27992787 URGSTCVPPJDVNQ-QGZVFWFLSA-N 364.474 4.524 30 40 FJEB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 225682088 PSWFOZKKMLYOSE-UHFFFAOYSA-N 366.436 4.937 30 40 FJEB CCOc1cc(Cl)c(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409067157 PIZVDHVDXMFSGG-GZIVZEMBSA-N 373.762 4.607 30 40 FJEB CC(C)/N=C1\S/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1C(C)C 409216882 PKLJRQOGUQTSHB-GEHGQZCVSA-N 373.305 4.788 30 40 FJEB CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)cc1 2769345 OFKTVWJTEQYRLF-ZDUSSCGKSA-N 354.475 4.786 30 40 FJEB CCOC(=O)c1sc(/N=C/c2cccc(Br)c2)cc1C 3253188 BSTKSOZOOKFSDC-RQZCQDPDSA-N 352.253 4.746 30 40 FJEB c1csc(-c2nnc(CON=C3c4ccccc4-c4ccccc43)o2)c1 3452504 MBVSRFSDZGRRKV-UHFFFAOYSA-N 359.410 4.748 30 40 FJEB Cc1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C#N)c1C 6254879 XTNKOUSHBSIBNX-VIFPVBQESA-N 369.273 4.949 30 40 FJEB COc1cccc(/C=C/C(=O)c2nc3ccccc3s2)c1OC(F)F 7335930 BJORSWGSGYEECB-MDZDMXLPSA-N 361.369 4.802 30 40 FJEB Oc1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 12849467 MLVFFJZPTRIYLR-LFVJCYFKSA-N 366.424 4.962 30 40 FJEB COC(=O)c1occc1/C=C/C(=O)c1ccc(OCc2ccccc2)cc1 12884292 CCRRVHJQGNMMHP-FMIVXFBMSA-N 362.381 4.541 30 40 FJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1Cl 69374799 VQEOJIILXZONKJ-YJBOKZPZSA-N 360.862 4.721 30 40 FJEB Cc1ccc(F)cc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101474086 IMPFFIOPUUVIKT-UHFFFAOYSA-N 356.159 4.785 30 40 FJEB CCCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2n1C 408646368 AWMNSIOOYRSUTQ-HZHRSRAPSA-N 358.445 4.961 30 40 FJEB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21 6963482 QTIDDCTVNLBTHL-BBTUJRGHSA-N 361.401 4.632 30 40 FJEB C=CCSc1ncc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 8916824 GDMBHTGLIIRUTL-UHFFFAOYSA-N 373.787 4.679 30 40 FJEB C/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)o1 12621867 WFHFGXCWRFPIBY-YZLFBHQZSA-N 366.273 4.838 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C(/C=C/c2ccccc2)c2ccc(O)cc2)cc1 26570563 HZHNQIFVKLTLRK-NERVAKQKSA-N 359.385 4.830 30 40 FJEB CCOC(=O)c1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 855464 CFYQGNDECDSOFK-UHFFFAOYSA-N 370.412 4.588 30 40 FJEB N#Cc1cc2c(nc1SCC(=O)Nc1ccc3ccccc3c1)CCCC2 887409 RZTWVZXUIKIXLG-UHFFFAOYSA-N 373.481 4.716 30 40 FJEB C=CCSc1nc2ccc(NC(=O)c3ccccc3OC)cc2s1 2322973 ACUZFAUGHMVMHK-UHFFFAOYSA-N 356.472 4.835 30 40 FJEB C=CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 6707548 QSTIAQTUANBDBF-UHFFFAOYSA-N 350.422 4.833 30 40 FJEB CCN1CCN(c2ccc(C(=O)/C=C/c3ccccc3Cl)cc2F)CC1 13059463 GVTRPSXRMBNVHF-CSKARUKUSA-N 372.871 4.517 30 40 FJEB CCNc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N 33026975 XMLQSPXHGJDQJJ-UHFFFAOYSA-N 359.385 4.970 30 40 FJEB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1 101170110 JWLZILSXRBYLTR-CGIBELHQSA-N 367.492 4.881 30 40 FJEB O=C1C(Cl)=C(NCc2c(Cl)cccc2Cl)C(=O)c2ccccc21 101246074 FNPFLHFPBJHCHA-UHFFFAOYSA-N 366.631 4.613 30 40 FJEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 216828886 YBIAIEQRVJLWMI-UHFFFAOYSA-N 360.837 4.969 30 40 FJEB C#CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(Cl)c1 216852725 QUJYBGGRLXAUKV-UHFFFAOYSA-N 350.801 4.862 30 40 FJEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 5800764 RZQFZDUSLYNZIZ-NRFANRHFSA-N 369.420 4.778 30 40 FJEB C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1 13125505 RGLDSLCSFHQZTE-UHFFFAOYSA-N 367.836 4.707 30 40 FJEB biogenic CCCC(=C/c1ccccc1)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17044875 YOYNMFXOWHXUMO-ZEWRTSCZSA-N 354.366 4.784 30 40 FJEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 224488593 IRPXVRZJVINDTM-MRXNPFEDSA-N 351.446 4.536 30 40 FJEB O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)Br 575360757 HVUSRNKOJNRJTG-UHFFFAOYSA-N 371.021 4.895 30 40 FJEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)OCCO2 6312589 KUNLGBUZQHXBKG-LSHDLFTRSA-N 370.758 4.966 30 40 FJEB CCCC(Nc1ccccc1OC)=C1C(=O)CC(c2ccccc2)CC1=O 102942063 MXAHYPSCBIICMV-UHFFFAOYSA-N 363.457 4.877 30 40 FJEB CCCOc1ccc2ccccc2c1/C=N\NC(=S)Nc1ccccc1 409020510 QBQDJUYSEINUNZ-JCMHNJIXSA-N 363.486 4.949 30 40 FJEB CC(=O)Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1 989959 JPMFEBAWEXIHOC-QGMBQPNBSA-N 367.630 4.517 30 40 FJEB Cc1cccc2oc(-c3cc(/N=C/c4ccc(O)cc4O)ccc3O)nc12 1055767 PWVBGUXYFYHMEY-SSDVNMTOSA-N 360.369 4.671 30 40 FJEB N#C[C@@H](c1ccccc1O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 3902322 YGDITCBMINIEBS-VXKWHMMOSA-N 353.425 4.808 30 40 FJEB CCCCCOc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4402197 NQRCPOKPLSJFHO-CPNJWEJPSA-N 372.381 4.518 30 40 FJEB Oc1ccc(Br)cc1/C=N/Nc1cccc(C(F)(F)F)c1 4923183 CFLHIBJBJPCDGN-UFWORHAWSA-N 359.145 4.620 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(C)s2)S/C1=N/c1ccc(OC)cc1 5897152 XABLNBGXFALPPC-FLXQFUDPSA-N 358.488 4.689 30 40 FJEB S=C(N/N=C\c1cccc2ccccc12)NC12CC3CC(CC(C3)C1)C2 16922671 NPLOBFVLHXMWQL-UCQKPKSFSA-N 363.530 4.607 30 40 FJEB Cc1c(Cl)cccc1/N=C1\NN=C(c2c[nH]c3ccccc23)CS1 21264329 ROSCKFZQSDYFNJ-UHFFFAOYSA-N 354.866 4.858 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(Nc2ccccc2CC)=NC1=O 35644740 JDRPUVHTIVOMJH-XMHGGMMESA-N 364.470 4.896 30 40 FJEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 59224288 FOOGQQAOUXPKDG-YVLHZVERSA-N 371.893 4.606 30 40 FJEB CCCCCCCC[C@H]1O[C@H]1CCCCCCCCOC[C@H](O)CO 104049771 CIIHZROFUPCXTE-NJYVYQBISA-N 358.563 4.605 30 40 FJEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O 208228101 HSGFPHJSLTXJTG-JVVDOCDTSA-N 370.518 4.939 30 40 FJEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2ccc(F)cc2)c1C 408784122 SBVGNPKMKJXJSE-FMCGGJTJSA-N 350.393 4.990 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409006486 JXVUBVDUPBWGOH-CYVLTUHYSA-N 365.454 4.530 30 40 FJEB C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCC 409031321 AAFGDODUYWNADT-AQHIEDMUSA-N 372.284 4.528 30 40 FJEB CN(C)[C@@H](CNc1oc(C2CCCCC2)nc1C#N)c1ccc(Cl)cc1 1775976516 NLLCVYZTLLZUEC-SFHVURJKSA-N 372.900 4.962 30 40 FJEB C[C@@H](Nc1oc(COc2ccccc2Cl)nc1C#N)c1ccccc1 2195649 CHWKEQSXDZHDEW-CYBMUJFWSA-N 353.809 4.952 30 40 FJEB C[C@H]1CCC[C@@H](C)N1/N=C/c1ccc(/C=N/N2[C@H](C)CCC[C@H]2C)cc1 7026653 JJAHCZGJBCPVDU-YAJUSKIDSA-N 354.542 4.880 30 40 FJEB COc1cc(C#N)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33730605 KGMLFFOIGJYRGJ-UHFFFAOYSA-N 372.686 4.940 30 40 FJEB C/C(=N/NC(=S)Nc1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1 34687666 GJNIAAKFYXZIIH-FMCGGJTJSA-N 361.461 4.973 30 40 FJEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C)cc1 409051961 OWGHJXYJCWBIEO-DEDYPNTBSA-N 352.419 4.863 30 40 FJEB Cc1c(C(=O)NC2(c3ccccc3F)CC2)sc2ccc(C#N)cc12 559916107 RFVSJTGBOYQLSI-UHFFFAOYSA-N 350.418 4.640 30 40 FJEB CCOC(=O)c1sc(NC(=O)c2cccc3ccccc23)c(C#N)c1C 997387 DCNOSWYUAHCDOY-UHFFFAOYSA-N 364.426 4.510 30 40 FJEB Cc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 1773398 BCOKTQWNJZTCJD-OAHLLOKOSA-N 368.502 4.851 30 40 FJEB Cc1cc2nc3c(C#N)cc4c(C)nn(-c5ccccc5)c4n3c2cc1C 3304734 CIMUQGMJOYOZDG-UHFFFAOYSA-N 351.413 4.623 30 40 FJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 4033294 PLQINMXGQMRFLK-GOSISDBHSA-N 359.473 4.750 30 40 FJEB C/C(CC/C=C\c1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5081233 CAKTYKSNWCLKJV-KTNZDRLESA-N 354.366 4.784 30 40 FJEB COc1ccccc1/C=C/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5505287 BQHNCWSERSBXBG-RQVUTRMESA-N 365.311 4.733 30 40 FJEB C[C@H](Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1)C(=O)O 6649447 DPWJOTSLCGSWAB-NKLKJHRZSA-N 365.212 4.741 30 40 FJEB C/C(=N\O)c1ccc(OCCCCCOc2ccc(/C(C)=N/O)cc2)cc1 100709057 XLOJHEJBSBNIGU-LKNRODPVSA-N 370.449 4.711 30 40 FJEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(F)c(Cl)c2)c1O 409098212 KIOUTTDRFLDBBY-UBKPWBPPSA-N 373.565 4.606 30 40 FJEB Cc1ccccc1N(C)C1=N/C(=[N+](/C)c2ccccc2C)c2ccccc21 3186870 HRDRJISPOQSIMZ-UHFFFAOYSA-N 354.477 4.921 30 40 FJEB Cc1cc(Nc2cccc(/C=C/C(=O)O)c2)n2c(nc3ccccc32)c1C#N 5336973 QUNVQHLIAVDNIV-MDZDMXLPSA-N 368.396 4.509 30 40 FJEB OC1=N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cccnc1 18176683 QFEPAXZSKNRPNQ-MDWZMJQESA-N 360.236 4.576 30 40 FJEB CC(C)(O)C#Cc1ccc2ccc3ccc(C#CC(C)(C)O)c4ccc1c2c34 36408088 IMZHGAUTOXQBMM-UHFFFAOYSA-N 366.460 4.829 30 40 FJEB CCCCCCCc1nc(C#N)c(N/N=C/c2cccc(OCC)c2)o1 101411496 DJSOBENVTYXHFB-PXLXIMEGSA-N 354.454 4.904 30 40 FJEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@@H](C)CC)C1=O 409010964 DZGWINYSBQQGQU-ITRAFESCSA-N 365.454 4.687 30 40 FJEB COc1cc(/C=N/Nc2cccc(Cl)c2C)cc(Br)c1O 4689637 RYDHQKSLRARGFJ-QGMBQPNBSA-N 369.646 4.571 30 40 FJEB CC(C)c1cccc(C(C)C)c1NC(=O)CO/N=C/c1ccccc1O 5522989 QLNVRAFMVCGAOK-WSDLNYQXSA-N 354.450 4.628 30 40 FJEB C=C(C)COc1ccc2c(C)c(-c3ccc(OC)cc3OC)c(=O)oc2c1 6623822 IRUYTNAKCJRVAS-UHFFFAOYSA-N 366.413 4.741 30 40 FJEB biogenic COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3CC(C)C)cc1 20746087 WCKZPDLSBWYOMC-DOTOQJQBSA-N 366.461 4.948 30 40 FJEB CCOC(=O)c1ccc2c(c1)N(CC)/C(=C/C=N/c1ccccc1)N2CC 33387769 LNCXUZHUVRPLPZ-UJOYTAFJSA-N 363.461 4.773 30 40 FJEB CCCCCCCCCCCCCC(=O)N[C@H](CCCC(=O)O)C(=O)O 100494587 LTQKDWZGPVLYJU-QGZVFWFLSA-N 371.518 4.512 30 40 FJEB COc1ccc(/C=N\c2oc(-c3ccc(OC)cc3)nc2SC)cc1 104153951 KMWZHFMNOMQDGT-NDENLUEZSA-N 354.431 4.831 30 40 FJEB CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C#N 225834735 VQKUKMCZUIVSNB-UHFFFAOYSA-N 358.482 4.661 30 40 FJEB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c(C#N)c1 225841245 KXICGWVYGPJYGZ-NRFANRHFSA-N 360.498 4.907 30 40 FJEB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225841343 RXFYZCDWIIJOFD-NRFANRHFSA-N 360.498 4.763 30 40 FJEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1 409265344 HRVDDVXIFVXSBU-UHFFFAOYSA-N 362.514 4.671 30 40 FJEB O=C(Nc1cccc(Cl)c1)O/N=C/c1sc(Cl)nc1Cl 2151994 PQSMQESTQBAUGZ-PJQLUOCWSA-N 350.614 4.686 30 40 FJEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C=O 4427127 SGHGOYDALDCQEW-RGMHLJPOSA-N 358.478 4.977 30 40 FJEB C/C(=N\Nc1nc2ccccc2nc1C)c1ccc(Br)cc1 4770082 MQYZFLACCAOXLX-SRZZPIQSSA-N 355.239 4.537 30 40 FJEB C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1 6293537 DNWFHRNGIDUZTJ-UHFFFAOYSA-N 371.893 4.989 30 40 FJEB N#Cc1cccc(C(=O)N2CCS[C@H]2c2ccc(Cl)c(Cl)c2)c1 217641531 BYYDMIHPTASZKQ-KRWDZBQOSA-N 363.269 4.753 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Cl 409046026 QWKFCGUZSGEMMO-DHDCSXOGSA-N 367.923 4.762 30 40 FJEB C=CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 1202973 VTNCRPCMMMESTB-AQTBWJFISA-N 367.495 4.653 30 40 FJEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1 3485315 KGLHNXJDFUQKLZ-UHFFFAOYSA-N 369.877 4.760 30 40 FJEB COc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 5509627 NOPYXNAMXSYJOF-UHFFFAOYSA-N 362.458 4.798 30 40 FJEB COc1cc(/C=C/C(=O)c2nc3ccccc3s2)cc(Cl)c1OC 7335950 VWUVBAWVWJICGM-BQYQJAHWSA-N 359.834 4.863 30 40 FJEB O=C(/C(=C/Nc1ccccc1Cl)C(=O)C(F)(F)F)c1cccs1 100293952 DCDKKYFUSOZTJM-HJWRWDBZSA-N 359.756 4.712 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C1=O 409073533 ZSFMSSBDWYTBNE-HGLKBHAMSA-N 351.855 4.740 30 40 FJEB S=c1[nH]nc(C2CCCCC2)n1/N=C\c1ccccc1Br 1302196 QLDRDCKQFLYWOP-YVLHZVERSA-N 365.300 4.633 30 40 FJEB N#C[C@@H](C(=O)c1ccc(Br)cc1)c1nc2ccccc2s1 46441325 HUTXZSAOXVMLOO-LBPRGKRZSA-N 357.232 4.549 30 40 FJEB CCCc1c/c(=N\c2ccc(N(C)C)cc2)n2c([nH]c3ccccc32)c1C#N 102930948 PLZQOIVYADHIRT-YYDJUVGSSA-N 369.472 4.543 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1(F)F 256115884 NGEYGRCDNBGSKG-AJDRIWCOSA-N 358.175 4.546 30 40 FJEB COc1cc(C#N)cc(Cl)c1OCc1ccc(Br)cc1 6126637 ODIIJMYULUAPGI-UHFFFAOYSA-N 352.615 4.562 30 40 FJEB Cc1cccc(NC(=O)/C=C\c2ccc(N(CCC#N)CCC#N)cc2C)c1 17211057 BFYFHXVEXSOEFG-LUAWRHEFSA-N 372.472 4.589 30 40 FJEB CC1=C(/C=C/C(C)=N/Nc2nc3ccccc3c(=O)n2C)C(C)(C)CCC1 19336313 MHPQGQOLDYMYNU-RYCLTVPJSA-N 364.493 4.804 30 40 FJEB CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Cl)cc2Cl)CC1 79033154 PRGNYYHZWGUONW-UHFFFAOYSA-N 355.265 4.786 30 40 FJEB N#Cc1ccc(OC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 100901912 DDZNQUNBGVVQDU-QAQJPARQSA-N 374.278 4.588 30 40 FJEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 4690935 GFTGSRDITAWHPY-FRKPEAEDSA-N 372.808 4.587 30 40 FJEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@]12C 4792463 DKDMFHJMQAAUII-UNIYACPOSA-N 362.485 4.788 30 40 FJEB in-vitro CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@@H]2c1cccs1 5190834 LFOSWUCUUYCPSD-GOSISDBHSA-N 368.458 4.668 30 40 FJEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(CC)cc3)S2)cc1 5551585 YUNZXCTUXAYUCO-AQTBWJFISA-N 352.459 4.539 30 40 FJEB FC(F)(F)c1ccccc1NC(=S)NN=C1C2CC3CC(C2)CC1C3 6345863 YMNGUFAZYLVAHI-UHFFFAOYSA-N 367.440 4.804 30 40 FJEB C=CCSc1nnc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1 10414462 YAVOPCXMKIHWPJ-SECBINFHSA-N 371.940 4.589 30 40 FJEB N#Cc1cccc(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 12621563 DONTYUQNDIFBDD-MYMYQCDVSA-N 373.294 4.621 30 40 FJEB Cc1nc(N)c(C#N)c(-c2ccc(Br)cc2)c1-c1ccccc1 35342901 YQRUWJIWPKOSTG-UHFFFAOYSA-N 364.246 4.940 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2ccc(C)cc2Br)cc1 51318902 JPLDWGOKZQRJPR-ZHACJKMWSA-N 360.251 4.965 30 40 FJEB CCOc1ccc2c(c1)C(=O)/C(=C/NCCc1c[nH]c3ccccc13)S2 101631736 CTJCLEQWLFWVDB-MOSHPQCFSA-N 364.470 4.529 30 40 FJEB COC(=O)c1cccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c1C 408914271 XNLDTJKMGGWSQG-UHFFFAOYSA-N 372.376 4.504 30 40 FJEB C=CCOc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1 409327115 IDRFYZAFICWBRO-AQTBWJFISA-N 367.495 4.966 30 40 FJEB CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 1429096 NRBUQSKQDAFVTO-LFVJCYFKSA-N 373.408 4.833 30 40 FJEB CCOc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1 7348644 NYSPRGXETVZSIK-UHFFFAOYSA-N 368.440 4.761 30 40 FJEB C=CCn1cc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c2ccccc21 89904556 MNLDNLAGVIQGCC-AWEZNQCLSA-N 354.400 4.939 30 40 FJEB CC(C)=NNc1nc2c(Br)ccc(C(F)(F)F)c2s1 216939825 ZTJVTFHWLGNQFS-UHFFFAOYSA-N 352.179 4.885 30 40 FJEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 408560568 KWZGFEBBRSRCCO-UHFFFAOYSA-N 372.538 4.661 30 40 FJEB COc1cccc(/C=N/c2ccccc2)c1OCc1ccc(C(=O)O)cc1 409183274 AGAPQTWMPHJJNF-OEAKJJBVSA-N 361.397 4.723 30 40 FJEB CCOc1ccc(/C=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 16739957 DCUMWELHWUQXTH-YBFXNURJSA-N 368.418 4.563 30 40 FJEB Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)[C@H]1C[C@@H]1c1ccco1 89537130 GOQHMQXGSLKPJV-GLWVZHPYSA-N 360.866 4.608 30 40 FJEB COC(=O)c1cc(/N=C\c2ccc(N3CCCC3)c(C)c2)ccc1Cl 408857689 VTVDWACFVYATPT-XKZIYDEJSA-N 356.853 4.786 30 40 FJEB Cc1oc(-n2c(C)cc(/C=C3\Cc4ccccc4C3=O)c2C)c(C#N)c1C 409367738 KAWNTONBPFOHCU-YBFXNURJSA-N 356.425 4.998 30 40 FJEB NC(=O)c1c(/N=C/c2c(Cl)cccc2Cl)sc2c1CCCC2 671899 PGEIQFIGWSZQJK-DNTJNYDQSA-N 353.274 4.783 30 40 FJEB Brc1ccc(/C=N/N=C/c2ccc(Br)cc2)cc1 2810069 LBYGBPAMWPZZRE-BEQMOXJMSA-N 366.056 4.665 30 40 FJEB C=CCn1c(SCc2ccc(F)cc2)nc2ccc(Cl)cc2c1=O 4786815 ISSAVFWLHFAFFY-UHFFFAOYSA-N 360.841 4.667 30 40 FJEB N#CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 6045280 RMRLWHAYKHAREH-UHFFFAOYSA-N 361.257 4.857 30 40 FJEB CCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1 8214499 BTAFSOGRDASALR-UHFFFAOYSA-N 364.594 4.909 30 40 FJEB in-man O=[N+]([O-])c1ccc(Cl)c(/C=N/NCc2c(Cl)cccc2Cl)c1 9195829 DCHBNEVRDKPDLL-CNHKJKLMSA-N 358.612 4.679 30 40 FJEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20482657 WXGDGCULXCPQMG-GOSISDBHSA-N 364.489 4.736 30 40 FJEB COc1cccc(/C=N\c2ccc(Cl)c(Cl)c2)c1O[C@H](C)C(=O)O 409248837 RLOUAKQAVJTZLF-ZHLXBYETSA-N 368.216 4.605 30 40 FJEB N#CC1(CC(=O)Nc2cccc(C3CCN(Cc4ccccc4)CC3)c2)CC1 591810866 YFSRWFATBSGLLO-UHFFFAOYSA-N 373.500 4.699 30 40 FJEB N#Cc1cccc(Oc2ccc(Oc3cccc(C#N)c3C#N)cc2)c1C#N 990943 FRJHMINDVHZRSV-UHFFFAOYSA-N 362.348 4.758 30 40 FJEB N#Cc1c(/N=C/c2ccc(O)c(Br)c2)sc2c1CCCC2 1090976 PEEZNKXUTKVEQX-DJKKODMXSA-N 361.264 4.717 30 40 FJEB COc1ccc(CC/N=C/c2cc3ccccc3nc2Cl)cc1OC 3445881 VZMLPXHJLXOWBG-LPYMAVHISA-N 354.837 4.567 30 40 FJEB N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2)cc1 3503697 BCVNOVKYUIYIFQ-UHFFFAOYSA-N 358.466 4.781 30 40 FJEB Cc1nn(C(C)(C)C)c2c1[C@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 4869106 SHJHSQQHOKDVRY-IBGZPJMESA-N 364.493 4.542 30 40 FJEB C=CCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10119059 KFQGMZDOMVELEJ-WSDLNYQXSA-N 365.260 4.691 30 40 FJEB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1)c1cccnc1 12946266 GWGAULNNTVKPCA-ATVHPVEESA-N 371.352 4.555 30 40 FJEB O=C(C/C=N\OC(=O)Nc1ccccc1)Nc1ccc(Cl)cc1Cl 12960253 WVJNRGUUPHPYKK-OCKHKDLRSA-N 366.204 4.557 30 40 FJEB COc1cc2c(cc1OC)[C@H](c1sccc1C)C1=C(CCCC1=O)N2 18196940 NABSNAQEDZMKCO-SFHVURJKSA-N 355.459 4.638 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3C)nc2cc1C 34791490 YNTUASDCEZUAPL-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CCc1ccc(OCc2nnc(SCCCCC#N)n2CC(C)C)cc1 95409609 DPKRHZWFONIIQL-UHFFFAOYSA-N 372.538 4.861 30 40 FJEB COc1ccc(Cl)cc1/N=C/c1ccccc1I 408553061 WMLJUKKWFLCWIU-RQZCQDPDSA-N 371.605 4.704 30 40 FJEB O=[P@](C#Cc1ccccc1)(c1ccccc1)[C@H](O)c1ccc(F)cc1 1305777 PHBIAKQEYPXNIN-SQJMNOBHSA-N 350.329 4.514 30 40 FJEB CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1Cl 2454003 UHMPUUMSQRHSJF-UHFFFAOYSA-N 354.866 4.782 30 40 FJEB CCN(CC)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 4064074 OWBKRSYSMJRQJB-CQSZACIVSA-N 367.518 4.843 30 40 FJEB C=CCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3 4190031 HUABLNWRFDWJNV-UHFFFAOYSA-N 354.500 4.522 30 40 FJEB aggregator CCCC[C@H](CC)C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N 5467420 KURXSVKFBJITGA-AWEZNQCLSA-N 363.527 4.565 30 40 FJEB CCOC(=O)c1sc2c(c1C)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 6498463 NCNQERAVTUEKHJ-MRXNPFEDSA-N 373.499 4.859 30 40 FJEB O=C1C(=CNc2ccc(Sc3ccccn3)cc2)C(=O)c2ccccc21 13227892 RWAMTZCSVCVOKM-UHFFFAOYSA-N 358.422 4.608 30 40 FJEB CC(=O)C1=C(C)N[C@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl 19331726 UIMMOGUGGQCJRK-MOPGFXCFSA-N 361.272 4.789 30 40 FJEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCCC[C@@H]2C)n1 19820594 SZSNOOPZQNSUMU-LBPRGKRZSA-N 358.898 4.769 30 40 FJEB N#Cc1ccccc1OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 24047289 ZEPQGRIZPMSPSG-QFIPXVFZSA-N 361.372 4.884 30 40 FJEB Cc1ccc(/C=C2/CN(C(=O)C3CC3)C/C(=C/c3ccc(C)cc3)C2=O)cc1 96402505 URQRJRCYFSYCST-SJZPPUTKSA-N 371.480 4.592 30 40 FJEB Cc1cc(/N=C\c2cc(C)c(O)c(C)c2)ccc1I 110046851 JVZJSIAPROKKDY-NVMNQCDNSA-N 365.214 4.673 30 40 FJEB N#Cc1c2c(c(NCCc3ccccc3)n3c1nc1ccccc13)CCCC2 941787 ZOTNCNZISSBHAG-UHFFFAOYSA-N 366.468 4.893 30 40 FJEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc12 1223899 RHPPUCKOLNNZEB-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB C/C(C[C@H](O)c1cc(Cl)cc(Cl)c1OCc1ccccc1)=[N+](/C)[O-] 1398684 JIWHNIHEQWMNSP-RHLNUJDMSA-N 368.260 4.597 30 40 FJEB CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccc(Cl)cc1 4785614 PDXUOEFQCPXMIV-AXLWCPOOSA-N 356.944 4.508 30 40 FJEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2Cl)NC1=O 5376513 LTDDOHVVLNBYKY-ATVHPVEESA-N 370.861 4.796 30 40 FJEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1ccccc1C 6743920 FPRADIXHMIKEML-UHFFFAOYSA-N 362.433 4.574 30 40 FJEB COc1ccc(/N=C/c2cc(Cl)cc(C)c2O)cc1Br 6825845 APFXZCFPAVKBNN-QGMBQPNBSA-N 354.631 4.876 30 40 FJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c(F)cccc1Cl 32908451 GRKWGMUDKHLQEL-UHFFFAOYSA-N 350.780 4.526 30 40 FJEB N#Cc1c(Cl)nsc1NCc1ccc(Oc2ccc(F)cc2)nc1 52409380 PRJZIKSPZGJEGR-UHFFFAOYSA-N 360.801 4.607 30 40 FJEB N#CCc1cccc(C(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)c1 89830405 HWDATXCCDYLIIS-XMMPIXPASA-N 366.464 4.735 30 40 FJEB CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O 103641820 MOTPSJUHMGPRFZ-SSXHTLFQSA-N 362.510 4.692 30 40 FJEB C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O 409066956 OELDZFMFFAOWET-LFIBNONCSA-N 358.850 4.661 30 40 FJEB N#Cc1cccc(Oc2cccc(C(=O)OCc3ccc(F)cc3)c2)c1C#N 993214 MDKFCLKKMJZIRB-UHFFFAOYSA-N 372.355 4.718 30 40 FJEB CCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2)C1=O 4888366 VIKVZADFICWSDY-YGHXBTADSA-N 365.502 4.629 30 40 FJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1 5376321 FRUFXBNYLDUSGS-AQTBWJFISA-N 352.459 4.626 30 40 FJEB CCN1/C(=C2\C(=O)ON=C2Cc2ccccc2)Sc2ccc(Cl)cc21 36550947 CLCPZDNZTACDMM-ISLYRVAYSA-N 370.861 4.639 30 40 FJEB CC/C(C)=N\Nc1nc2c(C)cc(I)c(C)c2s1 40542221 USEPLBAURWURTF-PXNMLYILSA-N 373.263 4.716 30 40 FJEB C=CCSc1ccccc1C(=O)NCCSCc1cccc(C)c1 219802068 AQQVDJSLICFPIT-UHFFFAOYSA-N 357.544 4.936 30 40 FJEB O=C(O)c1ccc(C/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1 408931224 IPYWIAVJITTXFR-ZMOGYAJESA-N 372.346 4.813 30 40 FJEB Cc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c([N+](=O)[O-])c1 409393561 YNHWWUPYBUQIJG-UHFFFAOYSA-N 359.337 4.626 30 40 FJEB CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccc(SC)cc1 2260612 NWZNGODFZRHQCF-CCRNYGKSSA-N 368.593 4.576 30 40 FJEB C[C@H](C#N)OC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 4244467 JWVMSOLHWUJOON-CYBMUJFWSA-N 373.433 4.599 30 40 FJEB N#Cc1ccc(-c2cccs2)nc1S[C@H](C(=O)O)c1ccccc1 6393109 RRIQKXMTLLMOJH-INIZCTEOSA-N 352.440 4.600 30 40 FJEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3C)c2C)cc1 7343434 ZKYCVTGEQAGJPI-OEAKJJBVSA-N 357.461 4.735 30 40 FJEB CC(C)=NNc1nc2c(C(F)(F)F)cc(Br)cc2s1 57327445 SUFJKSIOROPFRH-UHFFFAOYSA-N 352.179 4.885 30 40 FJEB CCCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N/c1ccc(OC)cc1 61971816 ATCDJYGJIQHRAN-QLJNEMMGSA-N 356.447 4.611 30 40 FJEB C=CC/N=c1\scc(-c2ccco2)n1/N=C/C1=CC[C@H]2C[C@H]1C2(C)C 101473373 ZDQQFEDDPVEKJI-MIPBQTFTSA-N 353.491 4.723 30 40 FJEB CCCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccccc1 169398442 HBQHAILOQMPYCD-HOOMGSECSA-N 352.459 4.709 30 40 FJEB N#Cc1cn(C(=O)/C=C/c2ccc(Br)cc2)c2ccccc12 226362245 NTKJTSUJBNGJOL-JXMROGBWSA-N 351.203 4.629 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1c(C)cccc1C 408908789 SANQPQYSLZVIIV-DLTWUOELSA-N 366.486 4.936 30 40 FJEB Cc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1CCCC2 715339 WQNNATGCMZUQBE-UHFFFAOYSA-N 356.878 4.769 30 40 FJEB Clc1cccc(Cl)c1CO/N=C/c1c(Cl)nc2sccn12 3027964 WCEUCZZWOWEOKA-UBKPWBPPSA-N 360.653 4.907 30 40 FJEB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 6126770 YYSLXTMEOHEJRN-UHFFFAOYSA-N 370.474 4.548 30 40 FJEB O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ccnc2cc(Cl)ccc12 12651409 AMQLQUCENFLLTC-XBRNINPASA-N 352.781 4.908 30 40 FJEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12856442 CQWFDWVISIJSKO-IENJSVCTSA-N 359.454 4.545 30 40 FJEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCC(C)CC2)n1 19794138 BRDKHHUTHUVYHW-UHFFFAOYSA-N 358.898 4.627 30 40 FJEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)NC1=O 408820112 VEWKWXZEJFIHCS-WJDWOHSUSA-N 358.850 4.630 30 40 FJEB CC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409242558 OOLDWDOAMAYTKV-JLXMYUAZSA-N 355.434 4.811 30 40 FJEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 2161881 CIYKDJTXRFOYKA-LDADJPATSA-N 369.417 4.627 30 40 FJEB COC(=O)c1ccc(/C=N/c2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 3043347 ZLKBPWYFNMSEFA-YDZHTSKRSA-N 372.380 4.582 30 40 FJEB C=C(C)CSc1nnc(-c2ccccc2OC)n1-c1ccc(OC)cc1 3380563 VGUFJOKPSBFPAK-UHFFFAOYSA-N 367.474 4.620 30 40 FJEB Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(C#N)cc3)o2)cc1C 31433513 KUTWMPNETWTTKR-QGZVFWFLSA-N 373.456 4.640 30 40 FJEB C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1sccc1C#N 57815972 YWJBVJCTTCMDTH-ZJUUUORDSA-N 368.289 4.604 30 40 FJEB C=CCSc1nnc(Cc2ccccc2)n1-c1ccc(OCC)cc1 60759995 UFNJCECVKVPISQ-UHFFFAOYSA-N 351.475 4.535 30 40 FJEB C[C@@H](C#N)CNC(=O)c1sc2cccc(F)c2c1COc1ccccc1 72275324 HBQNCLSZOZDCFC-ZDUSSCGKSA-N 368.433 4.509 30 40 FJEB CC(/C=C1/[C@@H]2CC[C@H](C2)C1(C)C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100740151 ZZQQYNWQXYKHDG-NAONAKGASA-N 358.398 4.673 30 40 FJEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 101547837 ZLAHZUQOJROPRR-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB COc1ccc(CN/N=C(\C)c2ccc(Cl)c(Cl)c2)cc1OC 216058626 TYLQQHYEMLHOCZ-SRZZPIQSSA-N 353.249 4.524 30 40 FJEB CCn1cccc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O 408967589 VZCKTDMBZLUHFQ-UKTHLTGXSA-N 366.273 4.706 30 40 FJEB CCn1c(C)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c1C 409072129 ILNPGACPZQCWRU-WQRHYEAKSA-N 353.491 4.633 30 40 FJEB O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cl)cc(Cl)c2O)cc1 5616414 IQGSAGKWBAYTEE-VXLYETTFSA-N 368.220 4.528 30 40 FJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 5866067 NFFXQSGQFJUJQF-MRXNPFEDSA-N 361.228 4.504 30 40 FJEB ClC(=C\c1ccccc1)/C=N/N1CCN(Cc2ccccc2Cl)CC1 19790558 UCTUKMAOYUINRI-ONRFTTIKSA-N 374.315 4.723 30 40 FJEB Oc1ccc(Br)cc1/C=N/Cc1ccc(Br)cc1 57411932 TWFOZLRFCYBRFF-RQZCQDPDSA-N 369.056 4.536 30 40 FJEB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)Oc2ccccc21 96766951 ODZMXSBERDTNTC-PGPKDTDWSA-N 357.365 4.995 30 40 FJEB COc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c(C)c1 408737626 FDBJBGNHIKFCTR-MFOYZWKCSA-N 372.877 4.857 30 40 FJEB CCC(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 4649230 CDRXLZATFWJBMH-LFYBBSHMSA-N 358.235 4.694 30 40 FJEB CC(=O)N(/C=C1/Sc2ccccc2C1=O)c1ccc(Br)cc1 4690224 VUXILPPRSRSFRL-MHWRWJLKSA-N 374.259 4.632 30 40 FJEB CCn1c(C)cc(/C=C2/S/C(=N\c3cc(Cl)ccc3C)NC2=O)c1C 5576651 DOHFZYMEWPVMDD-RQZCQDPDSA-N 373.909 4.978 30 40 FJEB COc1cccc(NC(=O)c2ccccc2NC2=CC(=O)CC(C)(C)C2)c1 8780046 OJQILPACCKEFDT-UHFFFAOYSA-N 364.445 4.632 30 40 FJEB CCCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 12403698 SZNWONWYSVYJQG-KNTRCKAVSA-N 356.382 4.900 30 40 FJEB O=C(C/C=N\OCc1c(Cl)cccc1Cl)Nc1ccc(F)cc1F 12956152 VBIVIGBNGOPOMB-YXSASFKJSA-N 373.186 4.803 30 40 FJEB COc1ccc(CC/N=C(\C)c2cc(Cl)cc(Cl)c2O)cc1OC 17127000 IZQZXBBSBKAZHM-SRZZPIQSSA-N 368.260 4.768 30 40 FJEB CC(=O)c1ccc(Cl)c(/N=C/c2cc(Br)ccc2O)c1 17128866 GKVLOGMTKHPNRD-QGMBQPNBSA-N 352.615 4.761 30 40 FJEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(C(C)C)cc3)C2=O)s1 33717876 BDJFXAWIHWCEAX-XDNJSQOTSA-N 357.504 4.642 30 40 FJEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/n1c(S)nnc1-c1ccccc1Cl 103208703 OGOGUNCUNDDLJR-SLPNZFHTSA-N 358.898 4.714 30 40 FJEB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225841360 RXFYZCDWIIJOFD-OAQYLSRUSA-N 360.498 4.763 30 40 FJEB N#Cc1ccccc1CO/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 408596796 UZKCUNLTGADOBW-DHRITJCHSA-N 369.346 4.918 30 40 FJEB Cc1ccc(C)c(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)c1 409209478 BVVDRCPHPRLSKS-JCMHNJIXSA-N 365.454 4.822 30 40 FJEB CCc1nc(SCC(=O)c2ccc(F)cc2)c(C#N)c2c1CCCC2 833868 KBHKCOBYTQJVAR-UHFFFAOYSA-N 354.450 4.509 30 40 FJEB Cn1cc(C2(c3cn(C)c4ccccc34)C=C(O)C=CC2=O)c2ccccc21 1709413 FXSLUPKVDWFALI-UHFFFAOYSA-N 368.436 4.537 30 40 FJEB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 4554798 NKSLAPUOXYRPCO-CYBMUJFWSA-N 354.475 4.784 30 40 FJEB COc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 7983902 VWPAYXWRNFZYBL-UHFFFAOYSA-N 360.438 4.970 30 40 FJEB C=CCC(C#N)(C#N)c1nc(-c2ccccc2)c2c(c1C#N)C[C@H](C)CC2 95117576 JTCGYSYBYGEVPR-MRXNPFEDSA-N 352.441 4.606 30 40 FJEB Cc1ccccc1[C@@H](C=O)[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 103116663 GXLSWHSOPYHFSO-YADHBBJMSA-N 368.432 4.757 30 40 FJEB C/C(=N/CCCC/N=C(\C)c1cc(C)ccc1O)c1cc(C)ccc1O 104234047 JKCRBGNKFQPQJE-QFFDILLMSA-N 352.478 4.813 30 40 FJEB F[C@H](C(F)(F)F)C(F)(F)OCCC(F)(C(F)(F)F)C(F)(F)F 1083807021 RMKUPMWDIFDYBZ-GSVOUGTGSA-N 364.101 4.719 30 40 FJEB COc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c1O 3184418 ZNIQSVHTTQDUOQ-FSJBWODESA-N 374.396 4.974 30 40 FJEB C#CCOc1ccc(CNc2ccc(Br)cc2)cc1Cl 6295411 XYQCTIPSFWAVHB-UHFFFAOYSA-N 350.643 4.727 30 40 FJEB COc1ccc(/N=C(/Nc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 7275338 TYMONRAJJFBRNN-UHFFFAOYSA-N 362.429 4.903 30 40 FJEB C[C@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccc(F)cc1 12517369 JRMDJRBGQMEYRZ-YHVDPYDOSA-N 361.420 4.585 30 40 FJEB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCC/C1=C\c1ccc([N+](=O)[O-])cc1 17862477 IBFHBKDCSZGUSP-RFTYBOQRSA-N 364.357 4.723 30 40 FJEB C=CCc1ccccc1OCc1cc(=O)n2c(-c3ccccc3)csc2n1 20858832 NJXPSKVDQRIIDZ-UHFFFAOYSA-N 374.465 4.731 30 40 FJEB C=CCc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 31333792 NGEDPGHANAJSFF-AWEZNQCLSA-N 373.880 4.919 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1(F)F 256115893 NGEYGRCDNBGSKG-KPRJIFDWSA-N 358.175 4.546 30 40 FJEB Cc1ccc(C)c(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c1 898897 TYERPAWEQNWEDX-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB N#Cc1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 6039562 UNICMAOMXAQKPD-UHFFFAOYSA-N 358.426 4.691 30 40 FJEB CCCCCCCc1c(C)nc(S[C@H](CCCC)C(=O)O)nc1O 98048995 CKARLQCYAXWDHY-OAHLLOKOSA-N 354.516 4.739 30 40 FJEB C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1 101170108 JWLZILSXRBYLTR-JTMVAAEOSA-N 367.492 4.881 30 40 FJEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc(-c2ccccc2)cc1 408927624 QSCVMOVPGQYILF-FLFQWRMESA-N 359.425 4.978 30 40 FJEB N#Cc1c(-c2cccc3ccccc23)c(C#N)c2nc3ccccc3n2c1N 832928 FGSBNLNFWOFZFS-UHFFFAOYSA-N 359.392 4.633 30 40 FJEB CCc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2740324 VAVNYNHIXASDIF-UHFFFAOYSA-N 367.211 4.656 30 40 FJEB N#Cc1c(SCc2ccccc2)nsc1N/N=C/c1ccccc1 4481960 KNGWPGMJDREOBV-UDWIEESQSA-N 350.472 4.753 30 40 FJEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)C1=C(N2)c2ccccc2C1=O 101268790 HBBWLCJWLDMJGG-SFHVURJKSA-N 361.828 4.642 30 40 FJEB Cc1nc(N[C@H](c2cc(F)cc(Br)c2)C2CC2)ccc1C#N 1639820222 HROSEFDTXCCWCJ-KRWDZBQOSA-N 360.230 4.727 30 40 FJEB CSc1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 10252292 FXUMNAIELZCXDY-UHFFFAOYSA-N 365.483 4.585 30 40 FJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C#N)C1 14194685 SKRXZQQIKICORR-OAHLLOKOSA-N 373.566 4.585 30 40 FJEB C#CCN1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 32115624 GOJIDJFCCPSXKA-FOWTUZBSSA-N 371.502 4.657 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(Nc2cc(C)ccc2C)=NC1=O 35644784 NJUUEDRKKUIVLS-CPNJWEJPSA-N 364.470 4.951 30 40 FJEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccco2)=C(O)C1 98081816 RKMJIQVIUDDIGN-UHFFFAOYSA-N 358.434 4.766 30 40 FJEB O=C1Nc2c(cccc2C(F)(F)F)/C1=N/Nc1cc(Cl)cc(Cl)c1 223741828 QUWNYQZWLLSRTB-UHFFFAOYSA-N 374.149 4.781 30 40 FJEB CCCCCCCNC(=N)c1ccc(C(=O)OCc2ccccc2)cc1 1704864 HESGSXYUFKNYST-UHFFFAOYSA-N 352.478 4.929 30 40 FJEB COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCC#N 5129066 MREMEOLGNXMMDX-QHHAFSJGSA-N 362.212 4.800 30 40 FJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 12568326 ZGIZJVGAAUXZPS-CTNGQTDRSA-N 368.860 4.968 30 40 FJEB CCN1c2cc(C)c(/C=C3\S/C(=N\C)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223580760 PWPZPROLXSLUJB-RYLJXJNCSA-N 371.550 4.639 30 40 FJEB Oc1ccc(/C=N/c2cccc3ccccc23)cc1I 408961654 CYYOMFOBRRZVEE-YBFXNURJSA-N 373.193 4.901 30 40 FJEB COc1ccc2cc(Br)ccc2c1/C=N/c1c(C)n[nH]c1C 408975275 LQENPAFWIMDBAR-DJKKODMXSA-N 358.239 4.701 30 40 FJEB O=C1/C(=C\c2ccc(O)cc2)S/C(=N/c2ccccc2)N1C1CCCC1 4535716 FGMOXVLNXGURMK-KIOXBDSISA-N 364.470 4.939 30 40 FJEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1 6132162 UXYALHJGMVZKLQ-QGOAFFKASA-N 367.495 4.966 30 40 FJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCCC4)o3)o2)cc1 8844486 KDSYYUDCPUYAJP-UHFFFAOYSA-N 363.417 4.684 30 40 FJEB CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1N 13120719 AIQFOGOHLOICRK-UHFFFAOYSA-N 356.788 4.623 30 40 FJEB in-vitro C=CCOc1ccccc1CN(Cc1cccnc1)Cc1ccccc1F 13569016 YQTVZZUEFYWUPC-UHFFFAOYSA-N 362.448 4.988 30 40 FJEB CC(=O)c1cccc(N[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 28853058 WANQMIZHUQYNBX-QQHUYRGFSA-N 362.473 4.570 30 40 FJEB C=CCOc1ccccc1/C=C/C(=O)c1ccc(NC(=O)NC(C)C)cc1 36834950 AOGPMKQVAGOLKT-SDNWHVSQSA-N 364.445 4.677 30 40 FJEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1cccc(Br)c1 40139501 NQOQXVJAAXWFLU-BQYQJAHWSA-N 371.259 4.864 30 40 FJEB CCN(CC)c1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1 41127784 BVXULCYRSMEOTI-FYJGNVAPSA-N 353.857 4.575 30 40 FJEB COc1cc(/C(C)=N/Nc2cccc(C(=O)O)c2)ccc1SC(F)F 58195285 XMFJPWONIOJSHO-KEBDBYFISA-N 366.389 4.544 30 40 FJEB COc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c2ccccc12 137514433 VNYRBFVHPNTOEV-KCNVCSLJSA-N 366.467 4.723 30 40 FJEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc2ccccc2c1 225047558 OSSKBAMVMIRLBU-UHFFFAOYSA-N 367.470 4.620 30 40 FJEB CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC(C)CC1 225834766 KWMXNBZAPJWKTK-UHFFFAOYSA-N 358.482 4.517 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1cccs1 1076686 TWGWRMSVFGZOFG-HNNXBMFYSA-N 351.471 4.912 30 40 FJEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c1 4738521 ZBSGVQMHILBGDP-ZVBGSRNCSA-N 369.760 4.778 30 40 FJEB O=C(NCc1ccco1)c1c(/N=C\c2cccs2)sc2c1CCCC2 6222007 QVQIILUKNLJSFN-MTJSOVHGSA-N 370.499 4.962 30 40 FJEB CCCC/N=C1\S/C(=C/c2ccc(OCC)cc2)C(=O)N1CCCC 35042068 GMWPYJBOWVSANC-MOOSWKITSA-N 360.523 4.958 30 40 FJEB Cc1ccc(/N=C2/N[C@H]3N=C(c4ccc(Cl)cc4)S[C@H]3S2)cc1 41097432 TYPVLNCMGLIMDX-ZBFHGGJFSA-N 359.907 4.818 30 40 FJEB C=CCOc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193825 GOGOHOKJGGFPLJ-UHFFFAOYSA-N 374.425 4.831 30 40 FJEB CC(C)n1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c2ccccc21 408899089 SRNRPPJAXPIPDU-UHFFFAOYSA-N 374.484 4.923 30 40 FJEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408946181 YJRMWISDFPHQOM-RIYZIHGNSA-N 362.212 4.889 30 40 FJEB COC(=O)c1cc(/N=C/c2ccc(N3CCCCC3)cc2)ccc1Cl 408961936 VSWWLXZJTKJTIG-HYARGMPZSA-N 356.853 4.868 30 40 FJEB CCCCc1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409241062 WVBCEVPSARISID-WXUSHSQQSA-N 355.434 4.640 30 40 FJEB O=C(Nc1ccccc1)OC(C#Cc1ccccc1)C#Cc1ccccc1 1719657 FASZZKAGMOWTEJ-UHFFFAOYSA-N 351.405 4.707 30 40 FJEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2cccc3ccccc23)C1=O 4456987 FHOKZHOTCUPOKZ-RCCKNPSSSA-N 369.420 4.717 30 40 FJEB COc1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc1 5376431 FEQNJVQNLYHNKQ-UNOMPAQXSA-N 360.438 4.740 30 40 FJEB CC[C@@H]1CS/C(=N\c2ccc(C(=O)/C=C/c3cccc(C)c3)cc2)N1 5692529 WNUXXMMRQDFAQW-VWGXWWAPSA-N 350.487 4.994 30 40 FJEB COc1ccc2c(c1)-c1nc(/N=C/c3ccccc3[N+](=O)[O-])sc1CC2 6182346 UOHAIVXBFVMZHA-RGVLZGJSSA-N 365.414 4.576 30 40 FJEB Cc1cc(C)cc(OCCSc2nc3ccccc3n2CCC#N)c1 7738269 MRKYEEIFEORDPN-UHFFFAOYSA-N 351.475 4.738 30 40 FJEB C=CCOc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 8496536 MAHDKNOJQIREAY-UHFFFAOYSA-N 361.894 4.568 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H](C)c4ccccc4)[C@H]3C[C@@H]12 12885796 YMDKUNNJPAGDDL-DKNDHMCESA-N 353.506 4.651 30 40 FJEB biogenic C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(C)cc1 14122575 GYBONTGHPKKOGS-UHFFFAOYSA-N 365.502 4.952 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 27742459 TWMVXADCGDNJND-UHFFFAOYSA-N 350.443 4.555 30 40 FJEB Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1cc(C)c2ccccc2n1 96305918 RISMAWBQSPDDIV-OEAKJJBVSA-N 355.445 4.792 30 40 FJEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224921514 DZQAUNGYYIRNKN-UHFFFAOYSA-N 367.445 4.874 30 40 FJEB CCOc1ccc2cc(C3=C/C(=N/Nc4ccc(C)cc4)C(=O)O3)ccc2c1 408724548 BIDJZCAEYZMXJA-DAFNUICNSA-N 372.424 4.913 30 40 FJEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1cccnc1 409060206 YJLUZVXNUJDSAP-RGVLZGJSSA-N 373.279 4.804 30 40 FJEB C(=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)\c1cccnc1 4017522 QYRFUAMRNAKEET-LFVJCYFKSA-N 351.413 4.652 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCc1ccccc1 4539032 GJKRPFXKKYXEHX-NTUHNPAUSA-N 360.409 4.876 30 40 FJEB O=C(ON=C1CSc2sc(=S)sc2SC1)c1ccccc1 5601892 QTCOWCITTYCLEJ-UHFFFAOYSA-N 371.555 4.950 30 40 FJEB Oc1ccc(F)cc1/C(=N\Nc1ccccc1)c1cnn(-c2ccccc2)c1 14360369 JKVURSMDYJFJJK-ROMGYVFFSA-N 372.403 4.582 30 40 FJEB Cc1ccsc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682271 YEMTVMBSMHAQPT-LFVJCYFKSA-N 373.525 4.778 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2cc1C 34791561 UDNSHVFBRQATDS-ACJLOTCBSA-N 367.518 4.510 30 40 FJEB CCCCCCCCN/C(C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 103009762 CHNLDMCSJIRAJJ-XDJHFCHBSA-N 372.469 4.541 30 40 FJEB CCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@@H](C)C1 225833164 YCOZRJIXAJZZCC-XFQAVAEZSA-N 358.482 4.659 30 40 FJEB CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cn1/N=C/c1ccccc1 1254104 YWJNOMARNOGMKP-UFFVCSGVSA-N 373.243 4.698 30 40 FJEB C=C1[C@H]2CC[C@@H]3[C@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]34C)(C2)[C@@H]1OC(C)=O 4104838 AQBQBBLJTDSVLC-FXEQNPHBSA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro C[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C#N)C1 4646450 ZCZTYISRZJBADG-PXRHCINRSA-N 354.519 4.899 30 40 FJEB CC1CCN(C/C(O)=N/c2nc(-c3c[nH]c4ccccc34)cs2)CC1 49655135 PLMZMOQIIYZRSU-UHFFFAOYSA-N 354.479 4.611 30 40 FJEB FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 100048606 JEKPYLPQINQEAZ-UHFFFAOYSA-N 352.065 4.693 30 40 FJEB C=C1[C@@H]2CC[C@@H]3[C@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]34C)(C2)[C@@H]1OC(C)=O 100392725 AQBQBBLJTDSVLC-QIUNKYCOSA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1cccc(C(=O)O)c1 104283839 XQLWUFCDTVCONH-VHXPQNKSSA-N 361.405 4.742 30 40 FJEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2sccc2C)C1=O 408996287 HEAXWJUSRHNUQY-PTNGSMBKSA-N 371.483 4.600 30 40 FJEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1NC(=O)c1ccccc1 8334622 VNWGHDQQBZNUEQ-FSJBWODESA-N 353.372 4.518 30 40 FJEB C=CCc1ccc(OCCSc2nc3cc(C)ccc3[nH]2)c(OC)c1 9191658 OPOFAPJSGFFNMK-UHFFFAOYSA-N 354.475 4.780 30 40 FJEB CCCCCCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C 59722871 XAXUIROPOYPJBI-UHFFFAOYSA-N 353.528 4.519 30 40 FJEB Cc1ccc(-c2nc(N/N=C/c3ccccc3C#N)nc3ccccc23)cc1 75106826 NYYMQQMTIDFURB-MFKUBSTISA-N 363.424 4.923 30 40 FJEB C=CCSc1ccccc1C(=O)NCCSCc1ccccc1F 219812123 UCVXHARUVPRZNM-UHFFFAOYSA-N 361.507 4.767 30 40 FJEB CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)o1 1013443 MMTIFRDUKBOOFA-ATVHPVEESA-N 369.490 4.634 30 40 FJEB COc1ccc(C(=O)/C=C/S/C=C/C(=O)c2ccc(OC)cc2)cc1 2581936 DOXPHLJHQOJLPJ-PHEQNACWSA-N 354.427 4.530 30 40 FJEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\c2ccccc2)cc1 5415980 CTPSEAWYNWPFGS-QNGOZBTKSA-N 351.427 4.513 30 40 FJEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1 10032558 KCHGOYHYJKSABC-GOSISDBHSA-N 352.434 4.582 30 40 FJEB CCc1cc2c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3)cnc2s1 22416851 DFBBAYCFIUOEOU-UHFFFAOYSA-N 371.465 4.607 30 40 FJEB C=CCCCC(=O)CCC[C@@H](C)OC(=O)c1c(C=C)cc(OC)cc1OC 65740835 QWDNEGNCWJHTQE-MRXNPFEDSA-N 374.477 4.988 30 40 FJEB in-vitro C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(Oc2ccccc2)c(F)c1 96291539 BUHLDAYPEJBKKB-BUVRLJJBSA-N 350.397 4.861 30 40 FJEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224984625 OUNHPEHNGQZOMK-UHFFFAOYSA-N 367.923 4.752 30 40 FJEB Cc1cccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1C 35288635 SABUYEIGWSNNRW-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c(C)n1Cc1cccs1 48790165 SCTMOXXJIALDFX-QGZVFWFLSA-N 374.469 4.581 30 40 FJEB CSc1nc2ccc(Cl)cc2c(NC(=O)Cc2ccccc2)c1C#N 96319445 BTCAKRKROZKTBX-UHFFFAOYSA-N 367.861 4.663 30 40 FJEB CC/C(=N\CC/N=C(\CC)c1cc(C)ccc1O)c1cc(C)ccc1O 104234030 IEEGTJOOPSZWJO-BLVCXSLXSA-N 352.478 4.813 30 40 FJEB C=CCn1c(-c2ccccc2)c(C)sc1=Nc1ccc(NC(C)=O)cc1 334157793 KHSHDCIOICZSAA-UHFFFAOYSA-N 363.486 4.902 30 40 FJEB CCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408994728 ZVUXIMSJQGQRBB-WJDWOHSUSA-N 358.850 4.630 30 40 FJEB Cc1ccccc1OCCn1cc(C#N)c2cc(Br)ccc21 638308 DIAFESJRMVHRNJ-UHFFFAOYSA-N 355.235 4.663 30 40 FJEB C=CCOc1cccc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1 2113497 UJECLVZGFYNCOJ-YBEGLDIGSA-N 356.219 4.507 30 40 FJEB Cn1c2ccc(/N=C/c3ccccc3O)cc2c2nc3ccccc3nc21 4126477 PEJFWNPXVJMBFA-YDZHTSKRSA-N 352.397 4.731 30 40 FJEB O=C1N/C(=N\C2CCCC2)S/C1=C\c1cccc(Oc2ccccc2)c1 6936478 JKLCIAHAGMQEBJ-RGEXLXHISA-N 364.470 4.981 30 40 FJEB CCCOc1c(Cl)cc(C(=O)Nc2cccc(C#N)c2)cc1OCC 7265530 IBZPGZOVLLOOSM-UHFFFAOYSA-N 358.825 4.651 30 40 FJEB [N-]=[N+]=Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 15022653 OXEIVHRSAJTWBY-UHFFFAOYSA-N 350.161 4.975 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc1 35647668 XNCKBILPPFGVMT-CPNJWEJPSA-N 364.470 4.951 30 40 FJEB CCCCC[C@H](O)/C=C/[C@@H]1CC/C(=N\O)[C@H]1CCCCCCC(=O)O 36496841 VVNPPIUUPJFWII-FJEJTWGWSA-N 353.503 4.765 30 40 FJEB Oc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1O 408718515 UGOWXCOHZGWLLV-LPYMAVHISA-N 357.369 4.565 30 40 FJEB C[C@@H]1C/C(=N/N=C2\SCC(=O)N2c2ccc(Cl)cc2)CC(C)(C)C1 6183099 ILUUFJCKAFIIBX-OVZMUBQUSA-N 363.914 4.978 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 33317537 FQKUQYMXBYRVSI-SFHVURJKSA-N 359.473 4.750 30 40 FJEB CCOc1ccc(CN(C)C/C(O)=N/c2ccc(F)c(Cl)c2)cc1 82108696 BKTXEUOUKFEWRG-UHFFFAOYSA-N 350.821 4.598 30 40 FJEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cccs2)C(=O)C1 100007253 VGZWLMHFXYHTGL-IBGZPJMESA-N 374.502 4.607 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O 408533060 PMJWJGVTFNRUPM-GZTJUZNOSA-N 371.458 4.796 30 40 FJEB CC(C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408911746 OGXIJCSIFXIWNP-QHHAONBESA-N 367.430 4.607 30 40 FJEB Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)cc1 409112018 BHUZOJZZELKKSV-MTJSOVHGSA-N 350.403 4.595 30 40 FJEB CCCCCCCn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1784990 SMKKEPBZRQSUNM-CQSZACIVSA-N 361.555 4.974 30 40 FJEB C=CC[n+]1c(Nc2ccc(NC(C)=O)cc2)sc(C)c1-c1ccccc1 3190820 KHSHDCIOICZSAA-UHFFFAOYSA-O 364.494 4.899 30 40 FJEB Cc1ccc(C#N)c(SC(=O)c2c(-c3ccccc3Cl)noc2C)n1 5587795 RJOIYRFZPJUGSW-UHFFFAOYSA-N 369.833 4.811 30 40 FJEB N#Cc1cccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 6218267 XJWQGDLGPARYNV-UHFFFAOYSA-N 361.382 4.787 30 40 FJEB N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1F 7983539 HIWBGNONARBUBW-UHFFFAOYSA-N 362.429 4.779 30 40 FJEB COc1cc2c(c(OC)c1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 12349271 SXZRCSJYTPMHFK-IBGZPJMESA-N 369.848 4.922 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1onc(C(C)(C)C)c1[C@@H]2c1ccc(O)cc1 20726621 KMVUZMPYIHMAFY-MRXNPFEDSA-N 366.461 4.878 30 40 FJEB Oc1c(/C=N/c2ccc(I)cc2)ccc2ccccc12 32101589 ADXBIGOSCFZVRF-YBFXNURJSA-N 373.193 4.901 30 40 FJEB CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C#N 225856789 XLMHYXNTINRWHO-UHFFFAOYSA-N 358.482 4.661 30 40 FJEB COC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N 853508 JPYPJCDJNUITDM-UHFFFAOYSA-N 374.465 4.861 30 40 FJEB CCCC/N=C(/S)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 2645589 VKDMQKVSBOCZIQ-GOSISDBHSA-N 351.519 4.975 30 40 FJEB COc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(Cl)c2C#N)cc1 3105987 UDNNUAHKJMOJAZ-UHFFFAOYSA-N 356.212 4.998 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)S2)cc1 408964956 IZVUDIRNXVCHAF-QZRSKMOPSA-N 363.486 4.509 30 40 FJEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(Sc2ccccc2)cc1 409120445 VSJIYHYZNWCSMK-DEDYPNTBSA-N 350.403 4.587 30 40 FJEB CCN1C(=O)/C(=C\c2sccc2C)S/C1=N/c1ccc(OC)cc1 409241627 KRSNMGFHYXUOKK-FLXQFUDPSA-N 358.488 4.689 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc2c1 899095 ZICXDOLOLPAATQ-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB CCC[N+]1(CC#C[C@@](O)(c2ccccc2)C2(C)CCCC2)CCCCC1 1754790 BNSUHDHRIHCYNP-XMMPIXPASA-N 354.558 4.869 30 40 FJEB Cc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1773388 OYVLOWGJPBFIRR-UHFFFAOYSA-N 354.475 4.605 30 40 FJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 5003739 GTCUNGLDOJLOAM-CIAFOILYSA-N 359.341 4.859 30 40 FJEB Cc1cccc(N2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)c1 14855885 GYIOXPQSODGKPN-UHFFFAOYSA-N 367.496 4.856 30 40 FJEB Cc1s/c(=N\N=C\c2ccc(Br)cc2)[nH]c1-c1ccccc1 59193787 FHTZZIZLQXOJJU-YBFXNURJSA-N 372.291 4.749 30 40 FJEB O=C1C(=C2C=C(c3ccccc3)Oc3ccccc32)C(=O)c2ccccc21 940648 LJIBSPBEHUEKIQ-UHFFFAOYSA-N 350.373 4.953 30 40 FJEB Cc1c(Cl)c(C)c(/C=N/c2ccccc2O)c(O)c1Br 1435313 SOVAJKHHJUSHFE-CNHKJKLMSA-N 354.631 4.881 30 40 FJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3cccc4cccnc34)o2)cc1 4480970 NYOMKOKIGXDNJU-LPYMAVHISA-N 358.357 4.849 30 40 FJEB CCOc1ccc(Br)cc1/C=N/NCc1ccccc1Cl 8811801 IKJRLNXQUBDNSQ-RGVLZGJSSA-N 367.674 4.625 30 40 FJEB Cc1ccc(-c2c[n+](CC(=O)c3ccc(C(C)(C)C)cc3)c3n2CCC3)cc1 13776094 BNXKPXNENPEFSB-UHFFFAOYSA-N 373.520 4.878 30 40 FJEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)SC1=S 408814264 SIATTWFGXSJLNH-PDGQHHTCSA-N 368.527 4.790 30 40 FJEB Cc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)s1 409294723 BOZALMNDVUVVAF-UHFFFAOYSA-N 351.475 4.696 30 40 FJEB C[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CCc2ccccc21 593407392 UFCWVGAMMLWWKL-PGRDOPGGSA-N 361.489 4.793 30 40 FJEB COc1ccc(/C=N/c2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 870197 XOANIPZXIDYYJF-CIAFOILYSA-N 350.443 4.677 30 40 FJEB CCc1ccc2nc(SCC(=O)c3ccc(F)cc3)c(C#N)cc2c1 4848965 VUXCIYJOQYOZSJ-UHFFFAOYSA-N 350.418 4.783 30 40 FJEB Cc1c(C(=O)c2cccc(OC(F)F)c2)c2ccccn2c1CCC#N 6550091 CXMQPDSBARZIEK-UHFFFAOYSA-N 354.356 4.536 30 40 FJEB Cn1c(N/N=C/c2ccccc2OCc2ccccc2)nc2ccccc21 7343308 GBVNAXFEUSDYMJ-HZHRSRAPSA-N 356.429 4.598 30 40 FJEB C[C@H](Oc1ccccc1C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1 11400030 WYDDZFRDDOJGDW-IBGZPJMESA-N 370.452 4.555 30 40 FJEB Cc1noc2c1[C@H](c1ccccc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 13655805 OGILBNNCZIBGHL-KKSFZXQISA-N 372.424 4.647 30 40 FJEB C=CCc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC 14400153 AJEINCQBILDHIE-UHFFFAOYSA-N 350.245 4.661 30 40 FJEB COc1cc(/C=N/OCc2coc(-c3ccccc3)n2)ccc1OC(F)F 21279622 BWARELDAZXMABX-LSHDLFTRSA-N 374.343 4.502 30 40 FJEB CCCCc1cc(=O)oc2c(C)c(O)c(/C(C)=N\Nc3ccccc3)cc12 96343756 BKIXWEITGPTCKE-HAHDFKILSA-N 364.445 4.986 30 40 FJEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O 248202228 WTDIRAZPDUAJEB-MOVVGCITSA-N 350.499 4.829 30 40 FJEB biogenic,in-vitro CCOC(=O)c1ccc(N/C(CCNC2CCCCC2)=N/C(C)(C)C)cc1 1572277 MZMDROTZYOHRIW-UHFFFAOYSA-N 373.541 4.785 30 40 FJEB Cc1c(C#N)c(C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1 2615977 CFZVNQWGTVAAFP-UHFFFAOYSA-N 363.848 4.549 30 40 FJEB CC(=C/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C=C/c1ccccc1 4273523 IYFGLYFTWKJMPZ-APOPJVQISA-N 366.377 4.951 30 40 FJEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1O 6613533 BUUUFPXSSIAPRI-RMKNXTFCSA-N 361.235 4.758 30 40 FJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Cl)ccc1F 12546128 NQYLOKQYKWVPIN-UHFFFAOYSA-N 350.780 4.526 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H](C)CCc4ccco4)[C@H]3C[C@@H]12 12864527 YKAOGMQSLHIEKX-IDOYAUIQSA-N 371.521 4.505 30 40 FJEB biogenic Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)o1 13778291 XTFRVEULHJNHQD-ODLFYWEKSA-N 364.328 4.563 30 40 FJEB CCCC(/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C/c1ccccc1 17044872 YOYNMFXOWHXUMO-JJELPODNSA-N 354.366 4.784 30 40 FJEB CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1Cl 96193640 PTMYMMSPBFPVQW-YBEGLDIGSA-N 371.820 4.634 30 40 FJEB CC/N=C1\S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C(=O)N1CC 223525288 ZCRNAASCXGTHRQ-BRMCPTFGSA-N 371.550 4.721 30 40 FJEB CC(C)(C#N)NC1CCC(C(C)(C)C2CCC(NC(C)(C)C#N)CC2)CC1 255189480 QDARYJJCMWWGKI-UHFFFAOYSA-N 372.601 4.914 30 40 FJEB COc1ccc(C(F)(F)F)cc1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575360965 PMNOQYXPEAVTNS-UHFFFAOYSA-N 372.158 4.730 30 40 FJEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1ccc(F)cc1 7343436 ZNLFCYGGTCBEGS-YDZHTSKRSA-N 361.424 4.566 30 40 FJEB C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 19901354 YPTJQBPKWFJWET-JCMHNJIXSA-N 362.304 4.535 30 40 FJEB CCN(CC)Cc1c(O)ccc2c1O/C(=C/c1cccc(Cl)c1)C2=O 33362601 KUXMBRGIHUJSHJ-WOJGMQOQSA-N 357.837 4.504 30 40 FJEB C[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O 33688352 BEZYOBCLSRXWRT-FOLOGHDTSA-N 373.481 4.694 30 40 FJEB CC[C@H](C)Oc1ccc(/C=N\Nc2nc3ccccc3s2)cc1OC 33893758 RIDXCKRHXDWFRT-RQZLXBNYSA-N 355.463 4.928 30 40 FJEB CCCCCCCCCCCCCCCCN1C[C@H](O)C[C@@H]1C(=O)O 85911856 FDSLJAYOPNMZIY-WOJBJXKFSA-N 355.563 4.988 30 40 FJEB N#Cc1c(NC(=O)Nc2cccc(Cl)c2)sc2c1C1CCN2CC1 101107045 SVBPSAZBLNIFJG-UHFFFAOYSA-N 358.854 4.615 30 40 FJEB COc1ccc(CC/N=C(/C)c2cc(Cl)cc(Cl)c2O)cc1OC 104215967 IZQZXBBSBKAZHM-NHDPSOOVSA-N 368.260 4.768 30 40 FJEB C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c1 225490248 BTKNEUQCAJQHJF-LJQANCHMSA-N 356.491 4.698 30 40 FJEB C=CC[N+]1(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CCCC1 226069022 BRGLUDHOCGVCRB-NRFANRHFSA-N 374.589 4.937 30 40 FJEB C=C(C)COc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 8570646 KZFMMRQQGORIQO-UHFFFAOYSA-N 361.825 4.564 30 40 FJEB CC(C)c1ccccc1/N=C(\S)NC1CCN(Cc2ccccc2)CC1 8692223 QQWPAAYLSWYFAO-UHFFFAOYSA-N 367.562 4.982 30 40 FJEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3C)c(OC)c1 100129792 NXOREQHWRSPARB-CQSZACIVSA-N 362.429 4.623 30 40 FJEB Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N\C[C@H]2CCCO2)cc1 100862509 OJCVOAJIBMRGIM-XBPUZACXSA-N 365.864 4.791 30 40 FJEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(=O)CCC 105429940 UCBLGIBMIAFISC-VLHGIWIZSA-N 369.590 4.882 30 40 FJEB CC[C@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409093985 CDXDVLLEXQAPDA-RPCHLKFKSA-N 367.371 4.732 30 40 FJEB CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C#N)c1C 994614 HMANSFDSVALORS-UHFFFAOYSA-N 370.474 4.655 30 40 FJEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccco3)c(-c3ccccc3)c2c1 3899382 DFYXPBIYMHZALM-ZRDIBKRKSA-N 355.393 4.993 30 40 FJEB Clc1nc2ccccc2cc1/C=N/Nc1nc2ccccc2nc1Cl 5876097 YZGDPYOMCNTZTG-UFFVCSGVSA-N 368.227 4.931 30 40 FJEB CN1/C(=C\C(=O)CSc2nc3ccccc3[nH]2)C(C)(C)c2ccccc21 13056881 VCBFINSPEMCVQK-UNOMPAQXSA-N 363.486 4.536 30 40 FJEB C=CCc1cc(C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)ccc1OC 225184278 BRAWKUWLMXKBHW-IBGZPJMESA-N 353.462 4.622 30 40 FJEB C=CCOc1cccc(NC(=S)NCCSc2ccc(C)cc2)c1 225287034 PRINIMBTROZCNB-UHFFFAOYSA-N 358.532 4.639 30 40 FJEB Cc1csc(N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)n1 409053387 JPPMYEGKECEIRA-KEBDBYFISA-N 371.849 4.770 30 40 FJEB Cc1cc(N[C@@H](C#N)c2ccc(-n3ccnc3)cc2)ccc1Br 4025482 YLGVJDSVTYZFNQ-SFHVURJKSA-N 367.250 4.620 30 40 FJEB COc1c(Cl)cc(C(=O)Nc2sc(C)c(C)c2C#N)cc1Cl 9142095 QJCLCMOBNSYLET-UHFFFAOYSA-N 355.246 4.804 30 40 FJEB CCCCCOc1ccc(/C=N/Nc2oc(CC(C)C)nc2C#N)cc1 15227229 CLBGBBUSRYPKFC-HYARGMPZSA-N 354.454 4.760 30 40 FJEB O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1cccc(F)c1 16672873 PGRZGTIBJCPRME-ZROIWOOFSA-N 366.339 4.736 30 40 FJEB C=C(C)COc1ccc(-c2ncncc2Oc2ccc(OC)cc2)c(O)c1 17951283 UQGQNYXGFUXKHH-UHFFFAOYSA-N 364.401 4.605 30 40 FJEB biogenic CC(C)Cc1ccc(C#N)c(SCC(=O)Nc2cccc(Cl)c2)n1 18195348 NQESDMIQJQPIRO-UHFFFAOYSA-N 359.882 4.536 30 40 FJEB Cc1ccccc1CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N 20064866 XBEAGMFPAWBBMS-UHFFFAOYSA-N 362.483 4.736 30 40 FJEB COc1ccc2c(ccc[n+]2Cc2ccc(-c3ccccc3C#N)cc2)c1 79047144 BWGOHHXZMGBEDT-UHFFFAOYSA-N 351.429 4.723 30 40 FJEB C=C(C)COc1cccc(C(=O)NCCSCc2ccccc2C)c1 219779946 CKSDIWPADHFWPM-UHFFFAOYSA-N 355.503 4.613 30 40 FJEB C/N=C1\S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C(=O)N1C 409243369 VXQRMPOWCMWPRP-QTBWCZOLSA-N 354.500 4.678 30 40 FJEB COc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(OC)c2C#N)c1 1103456 SMCFFCPUBDIKMN-UHFFFAOYSA-N 350.805 4.958 30 40 FJEB C=C(C)Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCCC4)c1=O 12325088 CVPOUADTJZTFJD-UHFFFAOYSA-N 371.440 4.660 30 40 FJEB CC(C)c1nc(C#N)c(NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)o1 96346622 AIVOGKQMUKRFFC-SFHVURJKSA-N 354.498 4.682 30 40 FJEB COc1ccc([C@H](C#N)C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 584905867 QWRPCHCLCDXKRN-NRFANRHFSA-N 369.420 4.684 30 40 FJEB CCN(CC)c1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)c(O)c1 4867117 SNYJBBZSYYCSAF-RGVLZGJSSA-N 352.265 4.991 30 40 FJEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)cc2)NC1=O 5376514 NILFJTSDFAQUDH-ATVHPVEESA-N 370.861 4.796 30 40 FJEB Cc1cc(C)c(/N=C2/C(=O)Nc3cc(Br)c(C)cc32)c(C)c1 12445031 OGCHKPAFZNSZDI-UHFFFAOYSA-N 357.251 4.756 30 40 FJEB CCOC(=O)c1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 33703636 ZELOWTPOUQMPBT-OEAKJJBVSA-N 354.425 4.662 30 40 FJEB C=CCOc1ccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc1 97992386 UZRMXEGHJWOZLL-FOWTUZBSSA-N 364.470 4.584 30 40 FJEB CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H]1CO1 1776004423 RNEWHVGIIQSAAL-OALUTQOASA-N 365.395 4.546 30 40 FJEB C=C(C)Cn1c(SC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 668674 OWYQGWJHXMXSCX-UHFFFAOYSA-N 352.503 4.576 30 40 FJEB biogenic O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 4481826 CQPFVILQKOEINR-YBFXNURJSA-N 364.386 4.911 30 40 FJEB N#Cc1nc(COc2ccc(F)cc2)oc1NCc1ccccc1Cl 4996000 GBCNUJDEGGYLMZ-UHFFFAOYSA-N 357.772 4.530 30 40 FJEB CCOc1cc(C#N)ccc1OCC(=O)c1cc(Cl)sc1Cl 8328696 LLLDACKULWPASQ-UHFFFAOYSA-N 356.230 4.587 30 40 FJEB C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)NC1CC1 13687100 CUXXEEFXONEWLN-FQEVSTJZSA-N 370.518 4.835 30 40 FJEB CCCCC[C@H](CN(C)C)C(=O)/C=C\c1ccc(Br)cc1 17126417 RIWMHWKZNAZBPC-IVOILVROSA-N 352.316 4.790 30 40 FJEB Cc1ccccc1/N=C1/S/C(=C2\Sc3ccccc3N2C)C(=O)N1C 100500421 APFOQEXEMMZGJP-KNCPBYNISA-N 367.499 4.599 30 40 FJEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2C)C1=O 408532424 OKGDZKLEKCPGMJ-AQTBWJFISA-N 367.495 4.966 30 40 FJEB Cc1ccoc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409277705 BSENDHTXEJKCEL-UHFFFAOYSA-N 369.380 4.593 30 40 FJEB Cc1ccccc1-c1nc2cc(/N=C/c3cc(C(=O)O)ccc3O)ccc2o1 1435170 ZJAAXAHOHWXIIQ-FSJBWODESA-N 372.380 4.958 30 40 FJEB C[C@@H]1CCc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c(C#N)c2C1 4070076 JNZHZVMDYKHQTE-CSNVJCEJSA-N 354.519 4.899 30 40 FJEB COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2Cl)c(F)c1 6602270 KRGWJJXHOOAERE-ZHACJKMWSA-N 370.811 4.878 30 40 FJEB N#Cc1ccc(CSc2nnc(NC(=O)CCC3CCCC3)s2)cc1 6706059 CBVJNKWCLCERDP-UHFFFAOYSA-N 372.519 4.611 30 40 FJEB N#CCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[N+](=O)[O-] 85221697 DPVIYAXAQYTSRV-UHFFFAOYSA-N 374.396 4.819 30 40 FJEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1Oc1ccccc1 102035156 QIYMCEJGZBQLKI-DARPEHSRSA-N 370.412 4.670 30 40 FJEB [N-]=[N+]=Nc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cn1 108518309 AVONBQVKXHPECL-UHFFFAOYSA-N 357.417 4.975 30 40 FJEB CC(C)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1 1804666 FGZWBLSWYBBVPC-JAIQZWGSSA-N 356.882 4.893 30 40 FJEB C[C@@H]1CCc2sc(NC(=O)c3nc4ccccc4s3)c(C#N)c2C1 4069992 LJTBFKGLHFNFBO-SNVBAGLBSA-N 353.472 4.607 30 40 FJEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1OC 4196886 BENHUIYNUNDWJR-UHFFFAOYSA-N 355.438 4.571 30 40 FJEB COc1cccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1 408545053 YVDIRSWPAKMSRX-FSJBWODESA-N 374.396 4.740 30 40 FJEB C/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1C 408928377 AOAWFESPOOERJL-UOWSXMIYSA-N 367.257 4.785 30 40 FJEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 951552 MSAMATLFXXAPTQ-UHFFFAOYSA-N 369.421 4.693 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2c1C 4849100 TUQLCCJHHYKINJ-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB CCOC(=O)/C(C(C)=O)=C1/SC=C(c2ccccc2)N1c1ccccc1 5322318 DTNCHHVUIWDLCJ-FMQUCBEESA-N 365.454 4.602 30 40 FJEB N#Cc1ccc(C(=O)Oc2ccc3ccccc3c2Br)cc1 6221452 FXCOYKUTTTZTQD-UHFFFAOYSA-N 352.187 4.693 30 40 FJEB C(=N\c1ccc2c(c1)[C@@H](N1CCOCC1)c1ccccc1-2)\c1ccccc1 104392761 AIYDZRXBGAPSRJ-FDJRJZQMSA-N 354.453 4.839 30 40 FJEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224927434 NUQZHQRPYMUBJH-UHFFFAOYSA-N 370.301 4.992 30 40 FJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 538605 GACKBTMUYYITHY-VEMZIQOSSA-N 362.485 4.788 30 40 FJEB biogenic O=C1C(OCc2ccccc2)=C(OCc2ccccc2)C(=O)c2ccccc21 1593903 ZBGCIFHHHQXWEN-UHFFFAOYSA-N 370.404 4.711 30 40 FJEB C=CCSc1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1 6549200 BNLPQMZWSJUBHS-UHFFFAOYSA-N 369.471 4.861 30 40 FJEB C=CCNCc1cc(Br)ccc1OCc1ccccc1Cl 6855860 ZYBZAIHBQIDEQN-UHFFFAOYSA-N 366.686 4.957 30 40 FJEB Cn1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c2ccccc21 16666713 WFMGXRHXDSHDGB-LICLKQGHSA-N 367.861 4.723 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2cc1C 34791555 UDNSHVFBRQATDS-SCLBCKFNSA-N 367.518 4.510 30 40 FJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c(Cl)c1 408912478 QXYRWVQFQMOPIW-AWQFTUOYSA-N 370.748 4.988 30 40 FJEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)cc1 4016504 XUDUAQKONIKAGK-FRKBGCJLSA-N 367.499 4.599 30 40 FJEB O=C1C[C@H](c2ccco2)CC(Nc2ccccc2)=C1C(=O)Nc1ccccc1 4057282 NREDSJMSHYKXOI-MRXNPFEDSA-N 372.424 4.731 30 40 FJEB aggregator N#C/C(=N/Nc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 5024069 NWMGIYNXZGMOFG-HAHDFKILSA-N 356.813 4.942 30 40 FJEB COc1ccc(C(=O)/C=C/Nc2ccc(C(F)(F)F)cc2)cc1OC 44843694 SHUSXMBWDYGWSJ-MDZDMXLPSA-N 351.324 4.531 30 40 FJEB N#Cc1cccc(COc2cccc(NC(=O)NCc3cccs3)c2)c1 48320024 HZMBUUDBSGWAIR-UHFFFAOYSA-N 363.442 4.520 30 40 FJEB CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c(C#N)c1 225834923 UUEQKONELFJBIB-UHFFFAOYSA-N 358.482 4.661 30 40 FJEB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1959859 ZNYDQWSNNVXUIR-NSHDSACASA-N 374.893 4.724 30 40 FJEB C=CCn1c(SCc2cccc(OC)c2)nc2sc(C)c(C)c2c1=O 2396931 DCBGQTIZOAXLEQ-UHFFFAOYSA-N 372.515 4.562 30 40 FJEB CCc1ccc(N/N=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 5022619 MXBCOCFOHVOXPK-MOHJPFBDSA-N 362.458 4.721 30 40 FJEB CN(C(=O)CSc1cc(Cl)ccc1Cl)C1(C#N)CCCCC1 6080625 NCVJUPNVNXPEJW-UHFFFAOYSA-N 357.306 4.770 30 40 FJEB O=[N+]([O-])c1ccccc1/C(O)=C(C(=N\O)/c1ccccc1)\c1ccccc1 6227312 CEPOJYALBGHSFH-WRBBJXAJSA-N 360.369 4.900 30 40 FJEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 8735030 UBNQFDDLGZJWLT-SNVBAGLBSA-N 368.742 4.636 30 40 FJEB C=CCSc1ccccc1NC(=O)CSc1ccc(F)c(F)c1 15521494 FNLGFBQWOZRAKG-UHFFFAOYSA-N 351.443 4.974 30 40 FJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C#N)C1 20461303 KHSMMJOHVJJMPH-JTQLQIEISA-N 373.434 4.524 30 40 FJEB Cc1ccccc1C(=O)Nc1ccccc1NC(=O)Nc1ccccc1C#N 44225010 ADJWECUHQHSNOD-UHFFFAOYSA-N 370.412 4.763 30 40 FJEB O=C(/C(=C/Nc1ccc(Cl)cc1)C(=O)C(F)(F)F)c1cccs1 100862381 CKRUSDSSGDXMER-FLIBITNWSA-N 359.756 4.712 30 40 FJEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 216847967 QGRAQBAHVIDUFD-UHFFFAOYSA-N 353.176 4.502 30 40 FJEB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225841285 VYVXEBPLDOMGJO-HRAATJIYSA-N 360.498 4.905 30 40 FJEB CSC(C)(C)CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1310605542 RUHAYBGEXUTZEO-UHFFFAOYSA-N 355.463 4.614 30 40 FJEB Cc1ccc(N=C2c3cc([N+](=O)[O-])ccc3-c3ccc([N+](=O)[O-])cc32)cc1 1602538 UBRSQNQFVKREFU-UHFFFAOYSA-N 359.341 4.961 30 40 FJEB COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccc(C(C)(C)C)cc1 5293213 KRVCLKVPTZVXJZ-BSYVCWPDSA-N 351.446 4.890 30 40 FJEB C=CCSc1nc(Oc2ccccc2C(=O)OC)c2sccc2n1 5915002 LXJXDXQIVGVLQD-UHFFFAOYSA-N 358.444 4.548 30 40 FJEB C=CCNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N 12418932 LWOVKTYUSOAXIK-UHFFFAOYSA-N 355.781 4.637 30 40 FJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(C(F)(F)F)cc1 12536834 MGYABAAMBJIFQP-UHFFFAOYSA-N 366.342 4.753 30 40 FJEB C=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103546886 PSLCNUISXILWOY-UHFFFAOYSA-N 358.122 4.588 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O 409108311 ZXCCJDOUOJOYEI-LDADJPATSA-N 369.417 4.627 30 40 FJEB O=C1/C(=C/c2ccc(O)c(Br)c2)Oc2ccc3ccccc3c21 1775964797 DJQKKCMTSVVBFN-YVLHZVERSA-N 367.198 4.924 30 40 FJEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@H]3c1ccc(O)c(O)c1 1069573 ZREQECYWWGBHBW-NRFANRHFSA-N 372.424 4.519 30 40 FJEB Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1 2737084 ZJGDMCBYDIEETO-UHFFFAOYSA-N 367.211 4.710 30 40 FJEB N#C[C@@H](c1ccccc1O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 3902323 YGDITCBMINIEBS-YADHBBJMSA-N 353.425 4.808 30 40 FJEB Cc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)c(Cl)c2)c(Cl)c1 4955375 KURDRBKMDUDIKE-UHFFFAOYSA-N 371.651 4.627 30 40 FJEB CCCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(OCCC)c1 5019930 PQYIKHMUGHXMLG-XSFVSMFZSA-N 357.410 4.618 30 40 FJEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(OC)c2O)c1 6396812 SEQPOYGLHRZTQR-CIAFOILYSA-N 360.841 4.934 30 40 FJEB CCc1nnc(S)n1/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 8183029 FKIQIUOJYXWLHV-QGMBQPNBSA-N 367.261 4.578 30 40 FJEB CCN1C=C(C(=O)/C=C/c2ccc(Cl)cc2)[C@H](c2ccccc2)NC1=O 12390042 ULLYKRBICSLTMY-YPNIWSFNSA-N 366.848 4.593 30 40 FJEB C=CCOc1cccc(/C=C2/CCn3c2nc2ccc(Cl)cc2c3=O)c1 12814543 QHEVXNQBRAKAGQ-PTNGSMBKSA-N 364.832 4.559 30 40 FJEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc2ccccc2n1 20986120 FEPXKWYTJUCNSS-LPYMAVHISA-N 361.836 4.828 30 40 FJEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 32617104 LSOYLSNXFDYJBQ-UHFFFAOYSA-N 360.388 4.762 30 40 FJEB CC(C)(C)OC(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 35644013 VPWJEZHVOGYEQA-HXUWFJFHSA-N 362.473 4.753 30 40 FJEB in-vitro N#Cc1ccc(COCC2CCN(Cc3ccccc3Cl)CC2)cc1 75156598 DILQYHFHKHSURU-UHFFFAOYSA-N 354.881 4.640 30 40 FJEB COc1cccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)c1OC 408723606 XUUKYSPCWWSKEM-CIAFOILYSA-N 350.443 4.677 30 40 FJEB O=C1CS/C(=N\c2ccccc2)N1Nc1ccc(Cl)cc1Cl 1409394 BVMOQTPLDBVLKE-SDXDJHTJSA-N 352.246 4.583 30 40 FJEB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1959862 ZNYDQWSNNVXUIR-LLVKDONJSA-N 374.893 4.724 30 40 FJEB Cc1ccc([C@H](CC(=O)N(C)CCC#N)c2ccc(OC(C)C)cc2)cc1 2246577 CPJIZGAGUVOWKK-QFIPXVFZSA-N 364.489 4.676 30 40 FJEB COc1ccc(/C=N/c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 2330019 DWQHDKCKNKWAFZ-SRZZPIQSSA-N 362.410 4.676 30 40 FJEB COc1cccc(-c2ccc(C#N)c(OC(=O)c3ccc(Cl)cc3)n2)c1 3128372 XDFHBSRFYYCUAV-UHFFFAOYSA-N 364.788 4.501 30 40 FJEB CC(=O)Nc1sc(N/N=C/c2cccs2)nc1-c1ccc(C)cc1 4995285 FNPKIXXIOZFMJJ-VCHYOVAHSA-N 356.476 4.584 30 40 FJEB N#Cc1ccccc1CSCCNc1ncnc2c1oc1ccccc12 7989561 CDEKLRRJSYUBEL-UHFFFAOYSA-N 360.442 4.593 30 40 FJEB FC(F)SCc1ccc(/C=N/Nc2ncnc3c2oc2ccccc23)o1 8166097 ITQKTBORJQBRCX-QPJQQBGISA-N 374.372 4.871 30 40 FJEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224911082 AUFARKFUZIGODY-UHFFFAOYSA-N 360.237 4.514 30 40 FJEB C=CCOc1cccc(NC(=S)NCCCSC2CCCCC2)c1 225591742 UGKNJCXHQZMQAR-UHFFFAOYSA-N 364.580 4.994 30 40 FJEB Cc1csc(N=C(O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)n1 329609099 QYKRHJBCZKOUPU-INIZCTEOSA-N 367.478 4.614 30 40 FJEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 409150146 ALVFTEFBTSOWTM-UDWIEESQSA-N 370.433 4.948 30 40 FJEB C=CCn1c(SCCC)nc2sc3c(c2c1=O)CC(C)(C)SC3 2330716 WMPKJKXNZHROPS-UHFFFAOYSA-N 366.577 4.714 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)c4ccccc4)[C@H]3C[C@H]12 4086879 YMDKUNNJPAGDDL-OGYFQOAPSA-N 353.506 4.651 30 40 FJEB biogenic Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccnc(Cl)c1 56469903 DEAYDPBOYOYGMX-UHFFFAOYSA-N 363.804 4.960 30 40 FJEB COc1ccc(C(=O)/C=C(\O)c2ccccc2)c(OC(=O)c2ccccc2)c1 102604745 DFWVZFJOEVEJAX-HKWRFOASSA-N 374.392 4.696 30 40 FJEB C=C(C)COc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1 631345 MOANKCDTEMCXNJ-UHFFFAOYSA-N 352.386 4.939 30 40 FJEB biogenic C/C(=N\NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 5444602 SNTWKEHWISYCKW-UFFVCSGVSA-N 363.273 4.576 30 40 FJEB CCCCC1CCC(c2nc(C#N)c(NCCCn3ccnc3)o2)CC1 8845147 QSQQVEXTPYJVTI-UHFFFAOYSA-N 355.486 4.709 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1 34897144 JRRHORHCSUWZKB-XKZIYDEJSA-N 365.364 4.759 30 40 FJEB CCCCCCCCNCCOCCOCCNCCCCCCCC 100923860 ZQAYBBPXBMNMBD-UHFFFAOYSA-N 372.638 4.920 30 40 FJEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 226332550 MXEWRSKXNQTQTR-BJMVGYQFSA-N 361.224 4.762 30 40 FJEB F[C@@H](C(F)(F)F)[C@@](F)(Oc1ccc(Br)cc1)C(F)(F)F 627280223 DAPZTXZPQZYDEY-HTQZYQBOSA-N 373.037 4.956 30 40 FJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccccc3)c2C#N)C1 2736229 LJCUZZGKCGQDRT-AWEZNQCLSA-N 368.502 4.788 30 40 FJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1 5376414 LKJSRROTUOHAII-RGEXLXHISA-N 366.486 4.929 30 40 FJEB CCN1C(=O)/C(=N/c2ccc(Cl)cc2)c2cc(Br)ccc21 6496963 LFKPMSKSTXAEFU-XDJHFCHBSA-N 363.642 4.590 30 40 FJEB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21 6960262 CJTYKLYMZPGBOD-CNNODRBYSA-N 374.440 4.511 30 40 FJEB CCN(CC)c1ccc(/C=N/N(CC)c2cc(C)c(C#N)c(Cl)n2)cc1 12411712 FQSTYMMIMMVOEX-OEAKJJBVSA-N 369.900 4.622 30 40 FJEB O=C1/C(=C/c2cccc(F)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21 13653649 KSBGIYFNNCVDON-NDENLUEZSA-N 366.388 4.928 30 40 FJEB O=C(/C(=N/N=C/c1ccc2c(c1)CCC2)c1ccccc1)c1ccccc1 19891368 KBNYSQWJFBNBIO-DHUSVAKKSA-N 352.437 4.881 30 40 FJEB CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC 33762658 WTMPQEAKKSCJMR-GFCCVEGCSA-N 370.832 4.989 30 40 FJEB O=C(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccnc1 59461417 JBDUSOLELCTMEE-UHFFFAOYSA-N 371.223 4.998 30 40 FJEB CCCCCCCC1=C(N)c2ccc(OCC(F)(F)F)cc2S1=O 98008938 XMNCAQIBWYCCOV-UHFFFAOYSA-N 361.429 4.737 30 40 FJEB C/C(=N\Nc1nncc2ccccc12)c1ccc(N2CCCCC2)c(F)c1 98053711 ZXSUYEWYCAZRRH-BUVRLJJBSA-N 363.440 4.595 30 40 FJEB N#Cc1c(O)nc2ccc(-c3ccc(-c4ccccc4O)cc3)cc2c1O 142070071 LXTNNPFHINYWLL-UHFFFAOYSA-N 354.365 4.557 30 40 FJEB C=CCOc1cccc(NC(=S)NCc2cccc(OC(C)C)c2)c1 225524758 BNYDZLJWTTWOJX-UHFFFAOYSA-N 356.491 4.525 30 40 FJEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2C#N)cc1 408587697 ADAMIKFVJJKNBI-CVKSISIWSA-N 367.408 4.560 30 40 FJEB CC1=NOC(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 408935928 FELVDPVJAIVCLP-OVCLIPMQSA-N 362.212 4.889 30 40 FJEB O=P(Nc1ccc(F)cc1)(OCC(F)(F)F)OCC(F)(F)F 2291171 GBALPDOAWUFBAE-UHFFFAOYSA-N 355.146 4.504 30 40 FJEB COc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(OC)c1OC 3232777 URWOJIUNNGYCOC-LFVJCYFKSA-N 374.440 4.584 30 40 FJEB C[C@H]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C#N)C1 4496738 CEHJZNSLOKEGIN-NSHDSACASA-N 360.479 4.614 30 40 FJEB CCn1c2ccccc2c2cc(/C=N/Nc3ccccc3C(=O)O)ccc21 5173238 WNMAZJMCUKQSEC-OEAKJJBVSA-N 357.413 4.959 30 40 FJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 5517295 KBCBLNIQLCPDPE-MRXNPFEDSA-N 361.228 4.504 30 40 FJEB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C#N)cc1 8706963 FOCFCARIFXQDDO-ZHRRBRCNSA-N 353.425 4.886 30 40 FJEB COc1cc2c(cc1NCC(=O)Nc1cccc(C#N)c1)oc1ccccc12 11619221 KAUDAEYBOVIBQI-UHFFFAOYSA-N 371.396 4.517 30 40 FJEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)O)c(C(=O)O)c1 98001621 XZEWLYZUDGPAKC-UHFFFAOYSA-N 363.454 4.942 30 40 FJEB Cc1ncc(/C(O)=N/[C@@H]2CCCc3cn(C4CCCC4)nc32)c(C(C)C)n1 329310552 FUZWMMCBQJJUKA-GOSISDBHSA-N 367.497 4.602 30 40 FJEB CC(=O)c1ccc(/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 4859429 SGVLKDYVBIAEEN-XKZIYDEJSA-N 361.401 4.956 30 40 FJEB COc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 4921959 ZXCNWSDODOZYHK-ZVBGSRNCSA-N 358.747 4.822 30 40 FJEB Fc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 12377184 KVCXQWRUVRNOHS-ONUIUJJFSA-N 371.459 4.547 30 40 FJEB O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1cccc(C(F)(F)F)c1 27121532 QLYRMFCVXMIFLX-MDZDMXLPSA-N 356.347 4.846 30 40 FJEB CCOc1ccc(/N=C2/SCCN2CC(=O)c2ccc(C)c(C)c2)cc1 96402045 DLQFHNSYFABCHW-QURGRASLSA-N 368.502 4.621 30 40 FJEB C=CCOc1cccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1 225705055 YDQHDWNJJSSYGR-HXUWFJFHSA-N 368.502 4.624 30 40 FJEB C=CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409064184 CIRBZMAQFLYDPS-SRZZPIQSSA-N 365.311 4.624 30 40 FJEB Cc1ccccc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N 4849077 VOLZSUCWWIBFTI-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB O=C(Nc1ccc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 5581090 YAJQPNPRUZJGCK-VBNUZUJXSA-N 361.357 4.856 30 40 FJEB C=CCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 8496430 KWBWYOLXXJGUAC-UHFFFAOYSA-N 366.642 4.920 30 40 FJEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 12805371 WCHLEBDXBGBMOO-QPJJXVBHSA-N 352.764 4.922 30 40 FJEB CC[C@@H](C)Oc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409030019 BPRULXRBKORSCC-NZYWVQMMSA-N 360.273 4.578 30 40 FJEB Cc1cc(/N=C/c2ccc(N3CCOCC3)cc2C)ccc1Br 409073931 OENOOCJVSRJTLO-FYJGNVAPSA-N 373.294 4.653 30 40 FJEB C/C(C=Nn1c(-c2ccccc2)nc2ccccc2c1=O)=C\c1ccco1 409402130 CZARHXRDDRNURZ-GHFXUULHSA-N 355.397 4.594 30 40 FJEB O=C(Nc1ccccc1Cl)O/N=C/c1ccc(Br)cc1 829823 PAZUPOOARNCUSF-RQZCQDPDSA-N 353.603 4.685 30 40 FJEB Cc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2326757 KOWJSISHOJEMFU-OCKHKDLRSA-N 363.273 4.731 30 40 FJEB Cc1ccc(Cl)cc1NC(=O)CO/N=C/c1ccc(C(C)(C)C)cc1 3260377 AENGADFKCKMOQK-WSDLNYQXSA-N 358.869 4.935 30 40 FJEB O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 4812102 DIIAGCCUJQJDPE-YADHBBJMSA-N 370.408 4.828 30 40 FJEB CC1=C(C(=O)c2ccccc2Cl)[C@H](c2ccccc2Cl)NC(=O)N1 26780245 QPZKPCZBUUQBOI-INIZCTEOSA-N 361.228 4.504 30 40 FJEB CCN(CC)c1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N 33027200 FJPNJKAVADBKPH-UHFFFAOYSA-N 365.433 4.848 30 40 FJEB C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1sccc1C#N 57815969 YWJBVJCTTCMDTH-UWVGGRQHSA-N 368.289 4.604 30 40 FJEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccccc2)cc1 102648915 CTPSEAWYNWPFGS-RCCKNPSSSA-N 351.427 4.513 30 40 FJEB C#CCOC(=O)c1ccc2[nH]c(-c3cccc4c(Cl)cccc34)nc2c1 226236826 KFHMEJUGPBDFAJ-UHFFFAOYSA-N 360.800 4.827 30 40 FJEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/N(c1ccccc1)c1ccccc1 408742242 VNRHUZXWSNMTGK-PCCDRTMGSA-N 368.440 4.849 30 40 FJEB CCOc1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1 408818803 QQLTYHBYKXHTAA-UNOMPAQXSA-N 363.255 4.792 30 40 FJEB COc1cc2c3c(c1)/C(=C\C(=O)c1ccccc1)C(=O)N3C(C)(C)C=C2C 1740816428 GUTILIHASDZKPF-XDHOZWIPSA-N 359.425 4.504 30 40 FJEB N#Cc1cc2c(nc1SCc1ccc(C(=O)O)cc1)CCCCCC2 663430 JAYXHWXPWFDLAB-UHFFFAOYSA-N 352.459 4.603 30 40 FJEB COc1ccc(/C=C/C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1OC 3209166 MIMDONWVWDJJMP-YYLVAKQMSA-N 363.457 4.598 30 40 FJEB COc1ccc(N/N=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 4524228 IVPYPPUBJNQXNE-XQNSMLJCSA-N 368.849 4.812 30 40 FJEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)c1 5249586 QOJBYGJGNJMUNH-JJFYIABZSA-N 357.409 4.894 30 40 FJEB Cc1cccc(-n2c(SCCC#N)nnc2-c2ccc(Cl)cc2)c1 6608712 XHQFZOIPXASTHF-UHFFFAOYSA-N 354.866 4.902 30 40 FJEB COC(=O)c1cccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)c1C 6626246 USEVKXJSLIHQPK-YDZHTSKRSA-N 354.425 4.580 30 40 FJEB CCCCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC 6649712 BCHKCMBJYDINRK-VMPITWQZSA-N 368.429 4.541 30 40 FJEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(Oc3ccccc3F)CC1)C2 19460717 JGESHDRSJPUELM-OPAMFIHVSA-N 357.469 4.578 30 40 FJEB CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2cccnc2)S1 26896835 QVPDIVHANCZOPE-INIZCTEOSA-N 355.484 4.676 30 40 FJEB CCc1ccccc1-n1c(C)cc(/C=N/Cc2ccc(C(=O)O)cc2)c1C 408968141 UKJZUWPFXOFJBY-BUVRLJJBSA-N 360.457 4.974 30 40 FJEB Cc1ccc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1 1763152 KESZCDZXOCDJOE-SRZZPIQSSA-N 350.374 4.984 30 40 FJEB CCN(CC)CCCNc1oc(-c2ccc(C(C)(C)C)cc2)nc1C#N 2413391 JPCPKUQHWOPWHV-UHFFFAOYSA-N 354.498 4.655 30 40 FJEB N#Cc1ccccc1CCC(=O)Nc1cccc(/C=C/c2ccccn2)c1 12554956 ORMJIXIYPAEFPI-ACCUITESSA-N 353.425 4.695 30 40 FJEB CCCOc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 59444490 DHABTGKMJBCILB-VZUCSPMQSA-N 355.390 4.678 30 40 FJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccccc2)c1 408590629 HHPGPELNLCNTRB-HYARGMPZSA-N 362.385 4.725 30 40 FJEB COc1cccc(/C=N\c2ccc(C(C)(C)C)cc2)c1O[C@H](C)C(=O)O 409244617 GGLVQPOIIUBDIU-BXSODOALSA-N 355.434 4.595 30 40 FJEB COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1O 785138 LUCWUWXYJPJGKO-QHCPKHFHSA-N 372.424 4.622 30 40 FJEB CCCCCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 3016503 QMNAQCVZDBNMLN-UHFFFAOYSA-N 362.455 4.602 30 40 FJEB N#Cc1ccccc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 6476568 KHLUSPPCRWDFSF-UHFFFAOYSA-N 366.376 4.584 30 40 FJEB Cc1ccc(C[C@@H](C#N)Sc2nnc(C3CC3)n2Cc2ccccc2)cc1 7427844 VIBBWSOULFVGLS-FQEVSTJZSA-N 374.513 4.739 30 40 FJEB C=CCn1c(S[C@H](C#N)Cc2ccccc2)nnc1C1CCCCC1 7780180 OMRZRDSTBRKITD-SFHVURJKSA-N 352.507 4.739 30 40 FJEB CC(C)c1ccc(/C=N\n2cnnc2N/N=C/c2ccc(C(C)C)cc2)cc1 33719485 YPBXTTVFSTWWBA-QTYYJASRSA-N 374.492 4.853 30 40 FJEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccc(NC(C)=O)cc1 105523113 WSLHFAQQHMYLCE-XTQSDGFTSA-N 363.486 4.902 30 40 FJEB CN(C)c1ccc(-n2cccc2/C=N/c2cc(C(=O)O)ccc2Cl)cc1 197665410 PNIFIXLPOZFYOD-LPYMAVHISA-N 367.836 4.646 30 40 FJEB C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O 208220200 BXBXHRDZBVRVBK-GPLLRDDGSA-N 356.491 4.631 30 40 FJEB C#CCOc1ccc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1Cl 409115618 SMKVUASBBMQVEW-LGMDPLHJSA-N 351.833 4.649 30 40 FJEB CC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(C)=O 3181299 VJPYZONMJHPNRA-UHFFFAOYSA-N 364.832 4.754 30 40 FJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3OC)S2)cc1 5376395 XOHYTUZDHMQEAC-RGEXLXHISA-N 366.486 4.929 30 40 FJEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 12406422 XCAQFFADSBDWGK-DMURRPNXSA-N 352.409 4.588 30 40 FJEB C/C(=N\OC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(Br)cc1 16121748 UUDDXBQLDLZHPY-YFGIWCPESA-N 358.235 4.520 30 40 FJEB CCCc1s/c(=N/N=C/c2cccnc2)[nH]c1-c1ccc(C)cc1C 19894523 NKBKOKLZGBHJEF-LPYMAVHISA-N 350.491 4.642 30 40 FJEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O 103733442 VNCMKHPBMKAURP-GOSISDBHSA-N 361.828 4.642 30 40 FJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3F)c2C)cc1 408741288 ICLMGKIBVUQLAP-YDZHTSKRSA-N 350.393 4.770 30 40 FJEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OC(F)F 409162584 GDXJJQCEUUWLCP-LSHDLFTRSA-N 362.401 4.859 30 40 FJEB O=[N+]([O-])c1ccccc1OCCC(F)(F)C(F)(F)C(F)(F)C(F)F 1565673183 UHKUFHZFDNQCIE-UHFFFAOYSA-N 367.192 4.535 30 40 FJEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 2264826 NBXDXQKMOJSAPX-UHFFFAOYSA-N 372.515 4.646 30 40 FJEB COc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccccc2Cl)cc1 4246855 WNDSOUABZWYSIO-LBPRGKRZSA-N 370.865 4.600 30 40 FJEB O=C1S[C@H](/C=N/OCc2cccc(C(F)(F)F)c2)c2ccccc21 5204644 LZZCQRUIEMKJDF-MNPVBQOISA-N 351.349 4.836 30 40 FJEB CC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 6022695 TUHSMVNSJPITOD-OEAKJJBVSA-N 374.396 4.844 30 40 FJEB O=C1Nc2ccccc2/C1=N\c1ccc(Cl)cc1C(=O)c1ccccc1 13940864 LQQXGUVKNZNMNY-UHFFFAOYSA-N 360.800 4.644 30 40 FJEB CN1C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 20223418 MWLWIHNJMRZSMD-OTYYAQKOSA-N 358.268 4.975 30 40 FJEB COc1ccccc1CN/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 20762472 TTWOKKSYIODBIN-ZVHZXABRSA-N 367.880 4.880 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(C)c(C)c2)=NC1=O 35644780 MZTWKUPEGZXKJH-CPNJWEJPSA-N 364.470 4.951 30 40 FJEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3c(Cl)cccc32)cc1 46085230 INCHXSGXRDVYAB-QOCHGBHMSA-N 372.852 4.634 30 40 FJEB O=C(/C=C(O)/C(O)=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 100330979 UAROJMZLVNTJFN-XFQWXJFMSA-N 363.196 4.943 30 40 FJEB O=C(Nc1cc(Cl)cc(Cl)c1)O[C@@H]1C[C@H]2CC[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 101021542 GNZAXJFAMVXBKI-WWXJUWCESA-N 368.260 4.744 30 40 FJEB CCCC1=NN(c2ccccc2)C(=O)/C1=N\Nc1cccc(C(F)(F)F)c1 104192083 JTQMOTOWYNQIGD-ULJHMMPZSA-N 374.366 4.676 30 40 FJEB CC(/C=C\c1ccccc1)=N\NC(=S)N/N=C(C)/C=C\c1ccccc1 104312581 HUYRYEFQLRCGGD-NHSMIEOHSA-N 362.502 4.629 30 40 FJEB N=C1S/C(=C\c2cccc(Cl)c2Cl)C(=O)[C@H]1c1nccs1 135860544 JWNWPPAIXVDRBY-LBIGTAQFSA-N 355.271 4.868 30 40 FJEB C[C@@H]1CCc2c(sc3ncnc(SCc4ccccc4C#N)c23)C1 2633611 JAUTVWRWPXFSNI-GFCCVEGCSA-N 351.500 4.980 30 40 FJEB C=CCS/C(=N\C#N)S/C=C/C(=O)c1cccc(Br)c1 4697437 GFJJPBHPARMUTP-QOQADRCWSA-N 367.293 4.635 30 40 FJEB Clc1ccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 4738846 VKDMSQIJPAAINA-XQNSMLJCSA-N 365.864 4.718 30 40 FJEB CCCc1ccc([C@@H](NCCC(=O)Nc2sccc2C#N)C(C)C)cc1 12879979 DPIDGWULYAWAFH-FQEVSTJZSA-N 369.534 4.888 30 40 FJEB C/C(=N\OC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Br)cc1 16121745 UUDDXBQLDLZHPY-UIPUUYQRSA-N 358.235 4.520 30 40 FJEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(NC(=O)c3ccco3)cc2)c1 44844483 DASFHMQYFNRGRG-VAWYXSNFSA-N 360.413 4.957 30 40 FJEB C/C(=N\Nc1ccccc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100293685 VHCGECWEDYDWFD-LFVJCYFKSA-N 369.424 4.532 30 40 FJEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1 102803073 MCPDWDYDXZQOJR-JBCNATCCSA-N 369.420 4.621 30 40 FJEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(N3CCOCC3)cc2)C1 408563078 IGBLOAQWXCNUJE-IECKCJDVSA-N 356.510 4.624 30 40 FJEB COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1C 408872008 JACISEVOQPWBLE-MFOYZWKCSA-N 372.877 4.857 30 40 FJEB Fc1cc(N2CCCCC2)ccc1/C=N/Nc1ccc(C(F)(F)F)cn1 409102718 ZLCVJMSRJKOHDY-BHGWPJFGSA-N 366.362 4.676 30 40 FJEB C=CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)C[C@@H](C)C2 1290149614 DWIXJOZWDGBYLV-VZHUHSAUSA-N 358.441 4.867 30 40 FJEB C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)NC1(C#N)CCCCC1 3385837 CIRJLLAAMXTEIQ-CQSZACIVSA-N 371.531 4.633 30 40 FJEB CC(C)(C)c1ccc2c(c1)[C@@](O)(c1ccccc1)[C@@H]1O[C@]1(C(C)(C)C)C2=O 5641321 FCPOGDZEICKPOF-NKKJXINNSA-N 364.485 4.600 30 40 FJEB C/C(=C\N1CCN(c2ccc(Cl)cc2)[C@@H](C)C1)C(=O)c1ccccc1 17064252 ARDCRVXWCKCOQA-ZQHZRZASSA-N 354.881 4.637 30 40 FJEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 20647558 GWTWPBWXFJZTQR-MOSHPQCFSA-N 369.436 4.770 30 40 FJEB C=C1[C@H](OC(C)=O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3 31157682 AQBQBBLJTDSVLC-OJHYWNACSA-N 360.494 4.582 30 40 FJEB biogenic,in-vitro Oc1ccc(Br)cc1/C=N/Cc1ccccc1C(F)(F)F 57411943 HHGLTGXHRHMHHL-AWQFTUOYSA-N 358.157 4.793 30 40 FJEB COc1cccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)c1O 59461335 MSRFKKQYYFGFHH-XNHYIXHQSA-N 368.414 4.591 30 40 FJEB O=C(/N=C1\c2ccccc2CN1c1ccc(F)c(Cl)c1)c1ccco1 103454376 FWTCNRVIZBFAPR-RELWKKBWSA-N 354.768 4.679 30 40 FJEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 409241236 JQWVUYGSLICGEG-OUUNKBNMSA-N 370.449 4.848 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2ccccc2)cc1OCC 6959242 OWAVOCODSPQDHQ-DEDYPNTBSA-N 358.235 4.610 30 40 FJEB C=CCSc1ccccc1C(=O)NCCOc1cccc2ccccc12 223559379 FYWRKYSKTOXWED-UHFFFAOYSA-N 363.482 4.927 30 40 FJEB C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OCC)c1OCC 408594517 HWRIBFAMKAKDPG-BUVRLJJBSA-N 364.445 4.635 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1Cl 409062704 ZHZVKOFNINFMBP-PTNGSMBKSA-N 351.855 4.741 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 1830579 UXYALHJGMVZKLQ-AQTBWJFISA-N 367.495 4.966 30 40 FJEB N#C[C@@H](c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1 6574986 BSXCMSZGKZFGJP-QFIPXVFZSA-N 356.425 4.995 30 40 FJEB Cc1ccc(-n2c(C)cc(/C=N/n3cc(-c4ccccc4)nc3N)c2C)cc1 8164001 FYPZDTQBTSTNEE-AFUMVMLFSA-N 369.472 4.730 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OC 8570810 IVTFLNNMSZWOIT-UDWIEESQSA-N 358.235 4.529 30 40 FJEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1O 9195339 DHSWLTYXBVBSDN-DNTJNYDQSA-N 373.667 4.875 30 40 FJEB N#Cc1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCC2 921319 SEGMJUPCVAKBHS-UHFFFAOYSA-N 362.454 4.669 30 40 FJEB Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc([N+](=O)[O-])c1C 1438122 VJQRRGMESTYOPR-UHFFFAOYSA-N 373.364 4.934 30 40 FJEB O=C1/C(=C\c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)Oc2ccccc21 1681960 OUPIYWLOWVJIGA-RRXSNJIPSA-N 357.365 4.995 30 40 FJEB Fc1ccc(C/N=C/c2ccn(-c3ccc(Br)cc3)c2)cc1 4050256 BFWPSBKMQWELLK-CIAFOILYSA-N 357.226 4.998 30 40 FJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 4385031 JPOUWZNGAPHHJZ-OAHLLOKOSA-N 365.864 4.786 30 40 FJEB C=CCn1c(SCC(=C)C)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 4784906 FDWQMDBCOINSSE-UHFFFAOYSA-N 352.503 4.598 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 4849182 YAYKWYNWQYESKX-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCCC2)n1 7995304 PPWSPEDVKFUQQS-UHFFFAOYSA-N 352.507 4.635 30 40 FJEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCC3CCCC3)ccc21 8958707 KCOZXRMWVSHASH-UHFFFAOYSA-N 370.493 4.533 30 40 FJEB C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccn1 32973758 HMVMOUZTPQSYGL-OAHLLOKOSA-N 359.454 4.595 30 40 FJEB N#Cc1ccc(Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 90610236 JZZICDLTHLLZCH-UHFFFAOYSA-N 360.804 4.778 30 40 FJEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=S)Nc1ccccc1C(F)(F)F 110392698 UBCKOYNLEWOLRT-OTMNJJNOSA-N 367.440 4.970 30 40 FJEB COc1ccc(CN/N=C(\C)c2ccc(Cc3ccccc3)cc2)cc1OC 216059335 MLABVKHKJRMOFM-NLRVBDNBSA-N 374.484 4.808 30 40 FJEB O=[N+]([O-])c1ccc(NN=Cc2cccc3c(Br)cccc23)cc1 245240724 SBVYANKWDMUVGY-UHFFFAOYSA-N 370.206 4.957 30 40 FJEB CCOC(=O)c1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)cc1 408957984 WTLGEVCUJLOOOP-FSJBWODESA-N 362.385 4.955 30 40 FJEB COc1cc(/C=C2\COc3ccccc3C2=O)ccc1OCc1ccccc1 2649701 XDSGWPQZZNILIU-CPNJWEJPSA-N 372.420 4.933 30 40 FJEB Cc1n[nH]c2c1[C@H](c1cc(C)n(-c3ccccc3)c1C)C1=C(CCCC1=O)N2 4864610 DRWRKDZCNPTQAG-NRFANRHFSA-N 372.472 4.690 30 40 FJEB CCCCCCCC(=O)Oc1ccccc1N1C(=O)c2ccccc2C1=O 97941891 YOSQVEWRONLGIC-UHFFFAOYSA-N 365.429 4.753 30 40 FJEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)C1=C(N2)c2ccccc2C1=O 101268789 HBBWLCJWLDMJGG-GOSISDBHSA-N 361.828 4.642 30 40 FJEB Cc1cccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c1 408757080 ZMKSBCXPNKOQCB-GDNBJRDFSA-N 373.275 4.649 30 40 FJEB CC(=O)Nc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)cc1 978071 YRTLVDAYHYJNDK-UHFFFAOYSA-N 374.444 4.561 30 40 FJEB CCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 1835161 RPQVBANTDJHZFJ-UHFFFAOYSA-N 374.465 4.942 30 40 FJEB Cc1ccsc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl 2289710 QEKTWPPNURCVKE-IDUWFGFVSA-N 369.302 4.793 30 40 FJEB Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(C#N)cc2)c2ccc(C)cc2)cc1 2649336 RKJHJJZMYWZEPT-HSZRJFAPSA-N 369.420 4.956 30 40 FJEB C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)NC1(C#N)CCCCC1 3385834 CIRJLLAAMXTEIQ-AWEZNQCLSA-N 371.531 4.633 30 40 FJEB COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2O)cc1OC 5022165 VPEIPANLZQDSPF-HWKANZROSA-N 353.201 4.612 30 40 FJEB COc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1OCc1ccccc1 5695126 BRRYIDXYBRUCRB-OEAKJJBVSA-N 372.428 4.597 30 40 FJEB N#Cc1ccccc1OCC(=O)Nc1ccccc1Sc1ccccc1 6788694 UHRDYKLWXDUCJL-UHFFFAOYSA-N 360.438 4.727 30 40 FJEB N#Cc1cccc(COc2cccc(NC(=O)c3c(F)cccc3F)c2)c1 32290680 BZRMJGNFAUQVCY-UHFFFAOYSA-N 364.351 4.668 30 40 FJEB C#Cc1cccc(N(C(=O)c2sc(-c3ccccn3)nc2C)C(C)C)c1 102909138 ORDMDCUHODZGDN-UHFFFAOYSA-N 361.470 4.550 30 40 FJEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224694399 BVEPYLUSSAWBBG-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225827427 RZCFMMIXAXBHHM-NRFANRHFSA-N 360.498 4.907 30 40 FJEB C=CCn1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c2ccccc21 408900710 ZYRVDSUAVPMKJS-UHFFFAOYSA-N 372.468 4.528 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OC 409208326 FCSPCQMJSIFNIT-CIAFOILYSA-N 372.262 4.837 30 40 FJEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1OCc1ccc(Cl)cc1 2297736023 BRRUAMSXTLWUBH-UHFFFAOYSA-N 372.701 4.835 30 40 FJEB CN(C)CC#CC[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 2268655 FIBBJDWMSJXEDN-RUZDIDTESA-N 355.481 4.545 30 40 FJEB O=C(/C=C(/CC(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 5051952 BYFLKSLHCIJYNC-PGMHBOJBSA-N 354.405 4.952 30 40 FJEB COc1ccc2oc(C(=O)Nc3ccc(C#N)cc3C(F)(F)F)c(C)c2c1 12621863 CHUIDUPLOXFJNN-UHFFFAOYSA-N 374.318 4.893 30 40 FJEB Cc1ccc(-c2ccc(S(=O)(=O)C(C)(C)C#N)cc2)cc1C(F)(F)F 596645892 OMWYPEBEDFJYDF-UHFFFAOYSA-N 367.392 4.757 30 40 FJEB C=CCn1c(SCc2ccc(C)cc2)nc2sc(C)c(C)c2c1=O 2349363 HUODCZUHIBMLCH-UHFFFAOYSA-N 356.516 4.862 30 40 FJEB Cc1n[nH]c2c1[C@@H](c1cc(C)n(-c3ccccc3)c1C)C1=C(CCCC1=O)N2 4864609 DRWRKDZCNPTQAG-OAQYLSRUSA-N 372.472 4.690 30 40 FJEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC1CCCCC1 4943784 LKJOIFKXTKWINQ-UHFFFAOYSA-N 373.884 4.875 30 40 FJEB N#Cc1ccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 6542398 OJTQNRNGCXRLOM-IBGZPJMESA-N 371.465 4.663 30 40 FJEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccccc1F 8435730 RTYHVQAJALLYFM-NTEUORMPSA-N 366.339 4.736 30 40 FJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1 10118793 GAMOGAUIMUXOIX-CIAFOILYSA-N 355.781 4.632 30 40 FJEB Cc1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 12556023 TUTOJQYLGKWYBB-AWEZNQCLSA-N 353.491 4.636 30 40 FJEB CCOC(=O)Cn1cc(/C=C2\Sc3ccccc3C2=O)c2ccccc21 13424355 JANCWSZWBVZNEV-ODLFYWEKSA-N 363.438 4.534 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(C)cc2)=NC1=O 35644736 LTXKINACTBRBFU-QGOAFFKASA-N 350.443 4.642 30 40 FJEB CC1CCN(C/C(O)=N/c2ncc(Cc3cccc(Cl)c3)s2)CC1 49640495 BHRRKVRNGKWURN-UHFFFAOYSA-N 363.914 4.707 30 40 FJEB C=CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 219642734 TWLACZHDHCOSNW-LJQANCHMSA-N 351.446 4.592 30 40 FJEB C=CCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 222678648 WICGYAXACIHHHU-UHFFFAOYSA-N 365.857 4.916 30 40 FJEB COC(=O)c1ccc(Cn2cc(/C=N\c3cccc(O)c3)c3ccccc32)o1 409394155 WPJMZJQIAAMZTI-FMCGGJTJSA-N 374.396 4.525 30 40 FJEB Cc1ccc([C@@H](CC(=O)N(C)CCC#N)c2ccc(OC(C)C)cc2)cc1 2246576 CPJIZGAGUVOWKK-JOCHJYFZSA-N 364.489 4.676 30 40 FJEB Cc1cc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nc2ccccc12 5934256 XCAYOVFXNYHFRX-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCCO2 6084884 WHGYESJYHLVKLS-DNTJNYDQSA-N 372.639 4.649 30 40 FJEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 13942708 XGKQCPIEHGHZSS-XNTDXEJSSA-N 361.875 4.987 30 40 FJEB O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(N2CCCCCC2)cc1 15349353 XCVYZRAWAKUOLP-SDNWHVSQSA-N 350.418 4.871 30 40 FJEB C/C(=N/N1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 20123719 TXTAVNIRPWKYEG-QLYXXIJNSA-N 369.512 4.895 30 40 FJEB COc1ccc([C@H](CNc2ccc(C#N)cn2)c2c[nH]c3ccccc23)cc1 25055278 FVXWRJPPVWXEGT-FQEVSTJZSA-N 368.440 4.687 30 40 FJEB COc1ccc(-c2nsc3c2N=C(O)C[C@H]3c2ccc(C#N)cc2)cc1 40268259 PMYCJINUNQUUMJ-INIZCTEOSA-N 361.426 4.814 30 40 FJEB CC(/C=C1/[C@H]2CC[C@@H](C2)C1(C)C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100740150 ZZQQYNWQXYKHDG-VJPHTHOUSA-N 358.398 4.673 30 40 FJEB COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)c1O 5127994 OSYVGJNHTWXGOB-AATRIKPKSA-N 367.626 4.713 30 40 FJEB O=C(COc1ccc(Cl)cc1)O/N=C1\CCCSc2ccccc21 5685288 CBEVILWBSBJRDV-CAPFRKAQSA-N 361.850 4.552 30 40 FJEB COc1ccc(Cl)cc1-c1nnc(SCc2ccccc2C#N)o1 7604773 CXXAYQGOVDIZOQ-UHFFFAOYSA-N 357.822 4.563 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1OC 8084217 CVKZXJMPFDPLGY-FYJGNVAPSA-N 372.262 4.783 30 40 FJEB N#Cc1ccc(COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)cc1 13062309 RYAXPKKLNMMSML-AYHJJNSGSA-N 373.543 4.604 30 40 FJEB CC(C)N1C/C(=C/c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 13739017 DNEFLIGAULUJNP-VHVWWYSBSA-N 353.412 4.725 30 40 FJEB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1cccs1 18144397 GRNXLJUITYMIGR-WQLSENKSSA-N 354.378 4.659 30 40 FJEB COc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc1Cl 18272361 SWMFZJWDJWMLRX-YBEGLDIGSA-N 358.850 4.549 30 40 FJEB CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C#N)O1 72330319 JQXOTYALWMLXAU-FCFLTHKLSA-N 369.505 4.542 30 40 FJEB biogenic C=C(C)COc1cccc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c1 219784345 OFPWBHAXJHEKQW-UHFFFAOYSA-N 367.445 4.851 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C 408710272 VNFQTOKWZNWMQR-OALUTQOASA-N 352.563 4.718 30 40 FJEB O=C1/C(=C\c2cccc(I)c2)Sc2ccccc21 408719391 DFAZWXNLUHUMEL-NTEUORMPSA-N 364.207 4.621 30 40 FJEB COc1ccc2cc(C3=C/C(=N/Nc4cccc(C)c4)C(=O)O3)ccc2c1 408725571 KSBCJXLOWTXUDB-GFMRDNFCSA-N 358.397 4.523 30 40 FJEB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21 409157416 QTIDDCTVNLBTHL-LVCYWYKZSA-N 361.401 4.632 30 40 FJEB CCC(=O)O[C@@H]1[C@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 538592 AFBZBYQKIMBONK-QKYFFWMQSA-N 362.485 4.788 30 40 FJEB biogenic O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O 5005923 FCLGVDAIDMUYKC-CIAFOILYSA-N 359.341 4.859 30 40 FJEB CCO/N=C1\C[C@@H](C)Cc2nnc(-c3ccc(Cl)cc3Cl)cc21 5194975 XITFJVYFZSBAKO-NRFDKYPKSA-N 350.249 4.773 30 40 FJEB CC1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1 8654580 UCEMOVOKNXCDOU-UHFFFAOYSA-N 363.417 4.622 30 40 FJEB CCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1 9694358 ILQZPOQWQFWWKP-LFYBBSHMSA-N 358.235 4.694 30 40 FJEB C/C(=N/NC(=S)Nc1c(C)cccc1C)c1ccccc1OC(F)F 35241177 BRZBEIWEUZSNKD-XKZIYDEJSA-N 363.433 4.615 30 40 FJEB Brc1ccc(-n2cccc2/C=N\c2ccc3c(c2)OCO3)cc1 100223002 NSQNSLYZMMDEFQ-JAIQZWGSSA-N 369.218 4.719 30 40 FJEB C/C(=N\C1CCCCC1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370459 XCSFRTHMNHDIPS-LFVJCYFKSA-N 360.457 4.838 30 40 FJEB CCOc1ccc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)cc1OCC 408982472 XZOXGVBQMBQERB-UHFFFAOYSA-N 373.456 4.806 30 40 FJEB C#CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1OCC 409110878 HKVHSZAEQLWURF-UHFFFAOYSA-N 374.278 4.780 30 40 FJEB O=[N+]([O-])c1cc(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)cc1F 1504250462 PYZOEMYSWXMTCY-UHFFFAOYSA-N 355.165 4.962 30 40 FJEB CCc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 786876 GRMQXVRLAJTHPK-UHFFFAOYSA-N 361.470 4.708 30 40 FJEB C=CCOc1cccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)c1 2081126 MZMSIJVAVIXFOW-YVLHZVERSA-N 374.223 4.903 30 40 FJEB CC(C)(C)c1ccc(C(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1 6386981 OWVWLBIRZHLSIV-NJNXFGOHSA-N 358.441 4.989 30 40 FJEB CCOc1ccc(/N=C/c2cc(Br)c(O)c(OCC)c2)cc1 6962100 UKMSGVKRVFJWCY-YBFXNURJSA-N 364.239 4.703 30 40 FJEB COc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 7790698 LNTGQMIDKHHWDU-UHFFFAOYSA-N 372.515 4.628 30 40 FJEB COc1ccc2c(c1)CC/C(=C/c1cccc(OC)c1OC(F)F)C2=O 8321517 WYTHYGJFERMWCG-RAXLEYEMSA-N 360.356 4.518 30 40 FJEB CN(c1ccccc1)c1ccc(/C=N/N=c2\sc3ccccc3n2C)cc1 12551738 ZEQGKJKXUCZRQG-NGAXQJCKSA-N 372.497 4.943 30 40 FJEB CCc1cc(SCc2c(C)noc2C)n2c(nc3ccccc32)c1C#N 13140813 MQFQOBAFNHWJAK-UHFFFAOYSA-N 362.458 4.819 30 40 FJEB C=C1C[C@@H](C)O[C@@H](c2ccccc2OCc2ccc(C(=O)OC)cc2)C1 18190103 OTOMNJIFGCJDCB-IIBYNOLFSA-N 352.430 4.848 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2F)C1=O 60512825 GKFLCJZKSPJCTA-SFQUDFHCSA-N 371.458 4.796 30 40 FJEB FC(F)(F)C(F)(c1ccc(I)cc1)C(F)(F)F 89629971 BQLMQSIVUSOLBF-UHFFFAOYSA-N 372.021 4.581 30 40 FJEB COC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1 408621458 MHEDYODIRIXPBV-SDNWHVSQSA-N 359.425 4.777 30 40 FJEB CCOc1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 408766825 SJUKESCZBMNMMT-HBFSDRIKSA-N 361.401 4.692 30 40 FJEB Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C#N)CCCCC2 1000359 DKZDVWLBBKKWFQ-UHFFFAOYSA-N 354.475 4.523 30 40 FJEB CCCOc1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(OCCC)c1 4864338 DSZNOYCUFWIVJO-KGENOOAVSA-N 352.438 4.587 30 40 FJEB O=C(O)c1ccc(/C=N/Nc2ncnc3sc(-c4ccccc4)cc23)cc1 7007721 XETGHHZKMAVDSB-FOKLQQMPSA-N 374.425 4.503 30 40 FJEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 8735029 UBNQFDDLGZJWLT-JTQLQIEISA-N 368.742 4.636 30 40 FJEB CCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1OC 9553799 ZLBWAMPYEZSSOL-FYJGNVAPSA-N 367.474 4.972 30 40 FJEB CCOC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CCCC2 102010093 GMSRWYFEHJIXRD-FYJGNVAPSA-N 356.491 4.620 30 40 FJEB Cc1[nH]c2c(C)cccc2c1/C=N\Nc1c(F)c(F)c(F)c(F)c1F 409030186 DQDLDQPJFGGTRH-OUBWWKSTSA-N 353.294 4.926 30 40 FJEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OC(C)C 9197050 JBPPAMFEAUKSFR-UFFVCSGVSA-N 367.276 4.913 30 40 FJEB C=CCOc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O 59488289 WXTGBOTZORRNFX-MHWRWJLKSA-N 374.223 4.903 30 40 FJEB COc1cc2c(cc1/C=N\c1ccc(Br)c(Cl)c1)OCO2 409064301 DAOXBYXURAJZNE-WSVATBPTSA-N 368.614 4.590 30 40 FJEB CC(C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409103687 BCKHHSCHBKHHOD-GZIVZEMBSA-N 357.763 4.987 30 40 FJEB COc1ccc(C(=O)/C=C2/C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)cc1 1740816475 HTZBUQLHZNJMSA-UDWIEESQSA-N 373.452 4.812 30 40 FJEB CCS[C@@H](C)C[C@@H]1CC(=O)C(C(CC)=NOC/C=C/Cl)=C(O)C1 1772769383 SILSDTWXNBZOGF-QYLQVVGNSA-N 359.919 4.844 30 40 FJEB COc1ccc(C(=O)Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 13406603 JUJXHFOWGIBQHG-SXGWCWSVSA-N 358.393 4.811 30 40 FJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)cc1 49548004 IOVULQCMIXXXAI-INIZCTEOSA-N 362.820 4.580 30 40 FJEB C=CCN(Cc1cccs1)C(=O)NCCc1cc(Cl)cc(Cl)c1 60127589 FEVBWDYMWQKJCW-UHFFFAOYSA-N 369.317 4.995 30 40 FJEB Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(OCc2ccccc2F)c1 64925899 SBUIUTHPRNILAD-VAWYXSNFSA-N 364.420 4.651 30 40 FJEB Cc1ccc2nc(N/N=C/c3cc(Br)ccc3O)sc2c1 226096153 UHDFGRWZPQVOAH-CAOOACKPSA-N 362.252 4.519 30 40 FJEB CC(C)(C)C(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCC2 1102165 PBOKDZKWQZCKEA-UHFFFAOYSA-N 356.516 4.878 30 40 FJEB N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)cc1 3372582 UERNUZCGDXDTGT-SDNWHVSQSA-N 370.364 4.752 30 40 FJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/OCc2ccccc2)c1C 4712307 ROVMLFKHAZDBHC-YDZHTSKRSA-N 362.429 4.651 30 40 FJEB CNc1ccccc(C(=O)/C=C/c2cccc(Oc3ccccc3)c2)c1=O 5879405 ILGXCSDPVWNLLW-CCEZHUSRSA-N 357.409 4.777 30 40 FJEB N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 6471941 HURQJTOSTKEDBV-UHFFFAOYSA-N 358.241 4.848 30 40 FJEB CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC 9195359 CGAATCOAXHBITQ-SRZZPIQSSA-N 367.276 4.915 30 40 FJEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1cccs1 12032484 OJFNDYGSXKVVRZ-YRNVUSSQSA-N 355.271 4.947 30 40 FJEB N#C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccccc1 103612459 ZKOHIPOBPRQIBN-DEDYPNTBSA-N 352.608 4.821 30 40 FJEB Cc1ccccc1/C=C1\SC(=Nc2cccc(Br)c2)NC1=O 408742359 QTLYXOCUCHIXDS-DHDCSXOGSA-N 373.275 4.649 30 40 FJEB C/C(=N\OC(=O)NC(C)C)c1sc(-c2ccc(Cl)cc2)nc1C 4085482 MAAFYYHIGLBPFM-RGVLZGJSSA-N 351.859 4.631 30 40 FJEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)c1 5214627 QBYHJYGJBUYBPD-GDNBJRDFSA-N 373.275 4.649 30 40 FJEB Cc1c(C#N)c(NC(=O)c2cccc(Cl)c2)n(Cc2ccccc2)c1C 5724511 CBBVAMNSAKFGFJ-UHFFFAOYSA-N 363.848 4.931 30 40 FJEB O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccccc1)c1cccc(Cl)c1 13081315 RQQKZJPNSFGZPS-UHFFFAOYSA-O 367.881 4.678 30 40 FJEB CSc1ccc(C(=O)/C=C/c2ccc(OCc3nccn3C)cc2)cc1 40139779 WELGAJHYZQRQLU-LFYBBSHMSA-N 364.470 4.617 30 40 FJEB CCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)oc2ccc(OC)cc12 48285718 YGEYMXOMVOMLRT-UHFFFAOYSA-N 362.429 4.674 30 40 FJEB CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O 51366897 VIKVZADFICWSDY-FCVXWEMSSA-N 365.502 4.629 30 40 FJEB CCOc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1O 102417386 IALFPGRXVWOKOV-LPYMAVHISA-N 364.401 4.695 30 40 FJEB C=CCOc1ccc(NC(=S)NCCSCc2cccc(C)c2)cc1 225338891 ADFOMWIXQVRSHO-UHFFFAOYSA-N 372.559 4.780 30 40 FJEB C=CCOc1cccc(NC(=S)NCCSCc2cccc(C)c2)c1 225338945 IGZLVBQXSLUMMY-UHFFFAOYSA-N 372.559 4.780 30 40 FJEB COc1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)c2ccccc12 408978511 IVSJCDMBMKZMHI-UHFFFAOYSA-N 351.409 4.862 30 40 FJEB O=C(c1sccc1Br)C(F)(F)C(F)(F)C(F)(F)F 575357485 GBEBXLKNRGZJOZ-UHFFFAOYSA-N 359.060 4.526 30 40 FJEB Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O 4990089 BUDLTFFZYHJCEB-VXLYETTFSA-N 368.418 4.542 30 40 FJEB S/C(=N\N=C/c1cccc(OCc2ccccc2)c1)Nc1ccccc1 5237131 KBXOOUPTBOIOMQ-JCMHNJIXSA-N 361.470 4.997 30 40 FJEB COc1ccc(C(=O)/C=C/N2C=CC(=Cc3ccc([N+](=O)[O-])cc3)C=C2)cc1 6381888 LNUPCHOQDIEMJF-NTCAYCPXSA-N 374.396 4.726 30 40 FJEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccccc1 13686383 SGNQOITYNOVYPF-UHFFFAOYSA-N 365.884 4.705 30 40 FJEB COc1ccc2nc(N/N=C(\c3ccccc3)c3ccccn3)cc(C)c2c1 17127494 NAEJVBUMPICYKC-SLEBQGDGSA-N 368.440 4.811 30 40 FJEB CC(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)cc1 20649409 GCLSXEBXAMIOTQ-BKUYFWCQSA-N 363.457 4.728 30 40 FJEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3C(C)C)cc1 20737313 HVJQCCNUBABGNW-KDOFPFPSSA-N 352.434 4.558 30 40 FJEB C(=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)\c1ccncc1 33334853 WDXLMIUMFDJQBN-JLPGSUDCSA-N 351.413 4.652 30 40 FJEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1O 35188659 PDJOXQMCLLXNJJ-SSDVNMTOSA-N 374.356 4.563 30 40 FJEB O=C1/C(=C\c2cccnc2)S/C(=N/c2ccccc2)N1Cc1ccccc1 103685077 CNFHFEUWXWZTOI-NFVLHAOASA-N 371.465 4.886 30 40 FJEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCCOC[C@H](O)CO 104049776 CIIHZROFUPCXTE-HKBOAZHASA-N 358.563 4.605 30 40 FJEB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CC#N)cc1 222914832 FLBJMESHCKRNMC-FQEVSTJZSA-N 350.462 4.846 30 40 FJEB C=CCNC(=O)c1ccc(OCC)c(COc2ccc3ccccc3c2)c1 224638253 PWNOKVOKAGGNPT-UHFFFAOYSA-N 361.441 4.733 30 40 FJEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(F)cc1 224920779 BXMUSUPDZRMKQS-UHFFFAOYSA-N 360.237 4.514 30 40 FJEB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O 408605970 ZOBQZEWRMDHSDF-VVTMIQRTSA-N 352.459 4.756 30 40 FJEB COc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1OC 408733795 RHOYFUFOVAUYQZ-ZVHZXABRSA-N 358.441 4.975 30 40 FJEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)o1 408818789 OWPCAQSJPVXZGX-ATVHPVEESA-N 369.490 4.634 30 40 FJEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@@H]3CC[C@]21CC 888087338 KIQQMECNKUGGKA-URFMIWOESA-N 369.505 4.715 30 40 FJEB CC1(C)[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C=C(Cl)Cl 1085579 MZNGXQVHLPRQHJ-GXFFZTMASA-N 355.290 4.638 30 40 FJEB Cc1c2c(n3c(nc4ccccc43)c1C#N)N([C@@H](C)c1ccccc1)CC2 4170441 AEOYRDWIWWOEIY-INIZCTEOSA-N 352.441 4.791 30 40 FJEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(OC)cc1 4357256 GPAJLWWNIAAGEH-UHFFFAOYSA-N 355.438 4.571 30 40 FJEB COc1cc(/C=N/Nc2ccc(F)cc2)ccc1OC(=O)c1cccs1 5020091 LBUVOVWMSJXAPV-CIAFOILYSA-N 370.405 4.561 30 40 FJEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 5960994 FIPAHPZRRINXLJ-BKUYFWCQSA-N 372.376 4.531 30 40 FJEB biogenic Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccccc3)ccc2C1=O 13768406 KGBZLZVVHCYEAN-PDGQHHTCSA-N 362.406 4.892 30 40 FJEB COc1ccccc1CN/N=C/c1cn(Cc2ccccc2)c2ccccc12 20762121 OFJSKFLZFFEDKD-WGOQTCKBSA-N 369.468 4.822 30 40 FJEB N#CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 44087598 HRFZDICOUIKNOV-UHFFFAOYSA-N 370.821 4.717 30 40 FJEB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C#N)c1 225798799 HCHXILVCWDJUTD-UHFFFAOYSA-N 360.498 4.763 30 40 FJEB O=C(/C(=C\c1ccc(O)c(Cl)c1)C(=O)C(F)(F)F)c1cccs1 408564168 VHPDMEVIKKNJAA-RMKNXTFCSA-N 360.740 4.505 30 40 FJEB CCOc1ccc(/C=N/c2nc3c(s2)COc2cc(OC)ccc2-3)cc1 408722262 FYUCKGWYSFLZRO-SRZZPIQSSA-N 366.442 4.860 30 40 FJEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1Cl 719412 POLYHOZBMWHCQQ-LLVKDONJSA-N 374.893 4.724 30 40 FJEB CC1(C)Cc2c(sc(NC(=O)c3ccccc3Cl)c2C#N)C(C)(C)N1 4275312 GPKNPGKWPHXZCQ-UHFFFAOYSA-N 373.909 4.685 30 40 FJEB CCN1C=C(C(=O)/C=C/c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC1=O 12321959 FJZKNRSNISCBMP-ZTVSIKPCSA-N 366.848 4.593 30 40 FJEB COc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1 13381830 XQZVHESVZCKBJB-ZXDLPKRHSA-N 364.533 4.802 30 40 FJEB C=CCn1nc(-c2ccc(OC)cc2OC)c2cccc(C(F)(F)F)c21 38208787 BMIOASGFHBRKJL-UHFFFAOYSA-N 362.351 4.925 30 40 FJEB in-vitro COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 408870855 VVBVPTTWEJVWPZ-YBEGLDIGSA-N 358.850 4.549 30 40 FJEB CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1 409230529 FDAUQYSJCIIYFT-BXDFRRGMSA-N 352.478 4.796 30 40 FJEB COc1cc(/C=N/c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 1087181 FLPZJOLEKYAUJW-QGMBQPNBSA-N 355.177 4.669 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CCN3CCCCCC3)CC[C@H]21 1321248 UWQHCHABBAIPPF-BKULYWANSA-N 367.533 4.963 30 40 FJEB biogenic C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCC4=CCCCC4)[C@H]3C[C@H]12 4028418 VPTHFEXYJFCRLI-XARADAHVSA-N 357.538 4.781 30 40 FJEB biogenic COC(=O)/C=C1\SC2(O\C1=N/c1ccccc1)C1CC3CC(C1)CC2C3 17185557 DFIFNAVCWFDBBT-JLZFKDTQSA-N 369.486 4.689 30 40 FJEB CCN1c2ccc(/C=N\Nc3ccc(C(=O)O)cc3)cc2C(C)=CC1(C)C 208503480 ZWMPQHQJRZCFQW-UCQKPKSFSA-N 363.461 4.853 30 40 FJEB COc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)cc1 409094757 FWFJOEBGGVRYSK-FYJGNVAPSA-N 364.357 4.852 30 40 FJEB CCOC(=O)CSc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C#N 1263504 FMNXBQLCOJGBDM-UHFFFAOYSA-N 367.257 4.582 30 40 FJEB N#Cc1ccc(-c2ccc(Cl)cc2)n(Cc2cccc(Cl)c2)c1=O 1402949 VZXWRSDLSWWKLX-UHFFFAOYSA-N 355.224 4.742 30 40 FJEB C=CCO/N=C(\CCC)C1=C(OC)C[C@@H](C[C@H](C)SCC)CC1=O 5417236 UQZVHDPICKDZDC-WMVLJVOQSA-N 353.528 4.756 30 40 FJEB COc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 8116621 MKSNEUUIVAEIMN-HYARGMPZSA-N 362.385 4.933 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1onc(C(C)(C)C)c1[C@H]2c1cccnc1 20725648 FUZNWRUPJNMHMY-HNNXBMFYSA-N 351.450 4.568 30 40 FJEB N#CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088090 ROEAHQRKNHVSBW-UHFFFAOYSA-N 357.385 4.756 30 40 FJEB CCOc1cc(/C=N/Nc2ccccc2)cc(Br)c1OCC 82251788 AJGNCNHWCPLIJJ-XDHOZWIPSA-N 363.255 4.693 30 40 FJEB C=CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(O)CCCC1=N2 101324161 VGXMQEXFCBDUMM-MRXNPFEDSA-N 372.881 4.881 30 40 FJEB C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 224945631 COBSOPOEIHAONK-QFIPXVFZSA-N 365.473 4.926 30 40 FJEB CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCCCC1 225852008 FBOXDEGJISIUEC-UHFFFAOYSA-N 358.482 4.661 30 40 FJEB Cc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)cc1 1079580 BFBAPZQDRSNFNS-MRXNPFEDSA-N 367.395 4.801 30 40 FJEB O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccccc1Cl 2679344 LODWJDZWARIUCK-LSHDLFTRSA-N 365.845 4.661 30 40 FJEB O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1 5822396 BHUYEFNOZGAZPA-KNBRTIFXSA-N 370.404 4.890 30 40 FJEB Cc1nc(/C(O)=N/c2cccc3nsnc23)cc2c1[nH]c1ccccc12 6280233 DKVCMEWZSKXIKY-UHFFFAOYSA-N 359.414 4.666 30 40 FJEB Cc1nn(-c2cccc(F)c2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12 6280248 PPCGKCFMPUSICK-UHFFFAOYSA-N 363.236 4.906 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)NC2=O)cc1C 15013664 CJOXJIFKCPRLKP-RQZCQDPDSA-N 372.877 4.857 30 40 FJEB CN(C)c1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N 33027193 LRVBWVPSSIIWHX-UHFFFAOYSA-N 359.385 4.604 30 40 FJEB CCCCCCCCS(=O)(=O)N/N=C/c1c(Cl)cccc1Cl 97960683 KSLSNFHAHYCFIS-LDADJPATSA-N 365.326 4.607 30 40 FJEB Oc1ccc(NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103598045 OAQJMYRRCZEOOD-UHFFFAOYSA-N 355.200 4.662 30 40 FJEB CCc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1 409247735 NJVXWZMTJAGFKG-KIOXBDSISA-N 366.486 4.882 30 40 FJEB O=C(c1ccc(Br)cc1F)C(F)(F)C(F)(F)C(F)(F)F 575362161 JNCWBQNJFRURJE-UHFFFAOYSA-N 371.021 4.604 30 40 FJEB C=CCc1c(C)nc2sc(C(=O)Nc3ccccc3C)c(N)c2c1C 13282603 QCXITJGAOKKMNG-UHFFFAOYSA-N 351.475 4.785 30 40 FJEB CCOc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 28250305 UJZAFLXCXJYDFL-CQSZACIVSA-N 368.502 4.715 30 40 FJEB CN1/C(=C\C(=O)/N=C(/c2ccccc2)C(F)(F)F)C(C)(C)c2ccccc21 57531542 IIRUENSQVALQOF-LEVAKHSJSA-N 372.390 4.876 30 40 FJEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(Br)cc1)C2 103675648 VXYHEEIGJJGNHL-WISCWAIPSA-N 350.256 4.808 30 40 FJEB C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2C[C@H]1OC(C)=O 253388414 TUKYTUMQZQFKNX-RSBIIAMVSA-N 360.494 4.748 30 40 FJEB biogenic,in-vitro C#CCn1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21 408556580 KSANDUCNHKWAMH-FQEVSTJZSA-N 366.873 4.707 30 40 FJEB C=CCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 1777077 PWUJBZJRUKTZJM-UHFFFAOYSA-N 366.369 4.904 30 40 FJEB N#CCCn1cc(/C=N/Cc2ccccc2)c(-c2cc3ccccc3o2)n1 3277531 SDOMLPXVENJYKB-BUVRLJJBSA-N 354.413 4.829 30 40 FJEB C=CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccoc1C 7172175 XWQHWGMBSQMWBH-ZDUSSCGKSA-N 370.434 4.794 30 40 FJEB N#Cc1ccccc1-c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1 25949263 ORZNDDKGJNLALY-DEOSSOPVSA-N 354.453 4.799 30 40 FJEB O=C(/C=C(\O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1 101407314 GUDUITNCMNVOMZ-UITAMQMPSA-N 350.617 4.798 30 40 FJEB C=CCOc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)cc1 225791478 PNHBNKYHPQDVSL-QGZVFWFLSA-N 370.518 4.622 30 40 FJEB CCCOc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OCC 408906761 KBTXPMNARQWORT-JXMROGBWSA-N 370.445 4.787 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1C 5613075 RXJZDDSAQUAOLL-LICLKQGHSA-N 372.877 4.857 30 40 FJEB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)COc1ccc(C#N)cc1 5990647 QJSNUMGHSXUPAI-UHFFFAOYSA-N 351.446 4.595 30 40 FJEB Cc1ccc(/C=N/N=c2/[nH]c(-c3ccc(Cl)cc3Cl)cs2)o1 17207435 PHNFIZKVAQVOHY-CNHKJKLMSA-N 352.246 4.886 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@H]2c1ccc(Cl)cc1 18244352 DKKGFEVSGMVPOR-SFHVURJKSA-N 353.853 4.957 30 40 FJEB CCCNc1c(/N=C(\O)Nc2ccc(Cl)cc2)c(=O)oc2ccccc12 28048853 QUVAHUBRVIXUEF-UHFFFAOYSA-N 371.824 4.926 30 40 FJEB COC(=O)c1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 4676050 GTABRSWYLZLFCJ-FOCLMDBBSA-N 357.409 4.949 30 40 FJEB CCCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O 5093138 IYNBRGFSEBBXPZ-MXWPMSCXSA-N 369.490 4.612 30 40 FJEB CCCn1c(O)c(/N=N/c2cccc(C(F)(F)F)c2)c(C)c(C#N)c1=O 26458846 JJBBUAHOWHSSRN-GHVJWSGMSA-N 364.327 4.578 30 40 FJEB Cc1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1Cl 98064185 LHHRHHWPAPTLME-IDUWFGFVSA-N 369.602 4.775 30 40 FJEB Cn1/c(=N/N=C/c2ccc(OCc3ccccc3)cc2)sc2ccccc21 102981101 ZRONYXZIMWMXMD-PLZJBTPPSA-N 373.481 4.754 30 40 FJEB CCCCOc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O 408889707 FZNRXZFARIDNJO-JXAWBTAJSA-N 352.459 4.757 30 40 FJEB Cc1cc(N2CCCCC2)ccc1/C=N/c1ccc(N2CCOCC2)cc1 408931172 HZGVKFADKLUZCI-HKOYGPOVSA-N 363.505 4.573 30 40 FJEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 408973459 SKNKXIAHCSTEOO-LGMDPLHJSA-N 372.346 4.600 30 40 FJEB CCn1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c1C 409093886 BKYWUGMTFDFYRN-WQRHYEAKSA-N 353.491 4.633 30 40 FJEB Cc1ccnc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)c1 409103469 WPCHONYDNMHZJW-KIBLKLHPSA-N 373.382 4.657 30 40 FJEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 3352925 YKPWBOGOIMPGMI-UHFFFAOYSA-N 362.816 4.896 30 40 FJEB C=CCNc1nc(/C=C/c2ccc([N+](=O)[O-])cc2)c2cc(C)c(C)cc2n1 4305843 DQVDKXDOMMPLQH-JXMROGBWSA-N 360.417 4.923 30 40 FJEB CCCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2)C1=O 5737182 WLIWPBVCFXANCQ-UXNDANJFSA-N 365.502 4.711 30 40 FJEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 6621882 CZTJVJUDHBVYEM-UHFFFAOYSA-N 357.866 4.874 30 40 FJEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 6790090 OGGCWTMIDGRTFO-KRXBUXKQSA-N 366.598 4.907 30 40 FJEB CC1(C)Cc2c(C#N)c(NCc3ccccc3)nc(-c3ccco3)c2CO1 13510207 RKUCWMFPBBAORQ-UHFFFAOYSA-N 359.429 4.677 30 40 FJEB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1C#N 14094456 FFWTXQVBKNVGKX-INIZCTEOSA-N 357.413 4.790 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(-c2ccccc2)cc1 18196084 ZRPMCVSPSUBJND-NRFANRHFSA-N 370.456 4.603 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1onc(C(C)(C)C)c1[C@H]2c1ccc(O)cc1 20726625 KMVUZMPYIHMAFY-INIZCTEOSA-N 366.461 4.878 30 40 FJEB C=CCOc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 23082914 OVRNYTWNQFWRJX-UHFFFAOYSA-N 354.406 4.766 30 40 FJEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Br)cc2)nc1S 35569208 VJUGDKHQJYARMO-UHFFFAOYSA-N 359.170 4.690 30 40 FJEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 226335367 YICUDZLWWVBGRQ-MDZDMXLPSA-N 372.848 4.978 30 40 FJEB CCn1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21 408962710 JMRYKBSIEQREDC-WOJGMQOQSA-N 365.433 4.692 30 40 FJEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3c4c(cccc24)CC3)c1O 3035794 PGWXEYCOQRWYRG-WSDLNYQXSA-N 362.385 4.702 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CCN3CCCCC3)CC[C@@H]21 4817639 XPMGQNDZUDZVOU-XKCSPQBFSA-N 353.506 4.573 30 40 FJEB CN(C)c1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc1 5520050 QDJWXJOSVDLZKL-ZHZULCJRSA-N 373.481 4.797 30 40 FJEB CC1=C(C(=O)C(F)(F)F)[C@@H](c2ccccc2)NC(=O)N1c1ccc(C)cc1 8718077 BJGLJGZKGKMCIT-QGZVFWFLSA-N 374.362 4.671 30 40 FJEB C=CCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 14009923 YISIEQAQTAFYBK-SFQUDFHCSA-N 370.861 4.570 30 40 FJEB C/C(=N\OC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(Br)cc1 16121742 UUDDXBQLDLZHPY-MHENUPEQSA-N 358.235 4.520 30 40 FJEB C[C@@H](/C=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 16711754 FEORWCNDVOABGO-JFENUBAZSA-N 352.419 4.920 30 40 FJEB Cc1ccc(-n2cccc2/C=N\c2ccc(O)c(C(=O)O)c2)cc1Cl 409017830 GCWSDFCYAXLEGX-NHDPSOOVSA-N 354.793 4.594 30 40 FJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 537745 GACKBTMUYYITHY-PEPYYZTCSA-N 362.485 4.788 30 40 FJEB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2C#N)C1 997692 BEAHKPKMMJEUEF-COXVUDFISA-N 350.487 4.877 30 40 FJEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccc(F)cc2)NC1=O 2071944 PXYLFRZSUMFUJR-LICLKQGHSA-N 351.406 4.507 30 40 FJEB CCCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N/c1ccccc1 4664312 QZSCFBFGVKUVRA-SXFBWKAHSA-N 352.459 4.709 30 40 FJEB CCCC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(C(F)(F)F)c1 17063260 JTQMOTOWYNQIGD-JJIBRWJFSA-N 374.366 4.676 30 40 FJEB CC(C)Sc1ncccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 40139193 PEJRKYMDVCHHIT-UHFFFAOYSA-N 373.481 4.629 30 40 FJEB COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccc(F)cc2)c1C 408772869 SCYSDJHTPCKOSF-QRVIBDJDSA-N 350.393 4.770 30 40 FJEB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)ON=C1c1ccccc1 409076419 AGQVDEPITAPSGZ-ZROIWOOFSA-N 362.212 4.737 30 40 FJEB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2cc1OCC#N 2427912 SGJGRENDQPNNSB-UHFFFAOYSA-N 362.410 4.534 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc2c1 4849165 PHPMPQFHPARWTG-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB O=C(O)c1cccc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1 6047658 KJFMCYYRWINPKY-OEAKJJBVSA-N 355.397 4.979 30 40 FJEB O=C(Nc1ccc(F)cc1)O/N=C(/C(=O)c1ccccc1)c1ccccc1 6927185 VGPFUGSZXMWZTE-LYBHJNIJSA-N 362.360 4.661 30 40 FJEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C2 100845653 ASMAHLZUEWTNTJ-XKDIDDNBSA-N 350.802 4.607 30 40 FJEB O=C(/C=C/c1ccc(Cl)cc1)/N=C1/N=C2C=CC=CN2Cc2ccccc21 103443367 SEYGKDGRUBPFCO-CHPAAOTMSA-N 373.843 4.624 30 40 FJEB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(CC#N)cc1)CC(C)(C)O2 225673685 PZHGGGKGUOCSHI-GOSISDBHSA-N 365.502 4.650 30 40 FJEB O=C1/C(=N\c2cccc3ccccc23)c2ccccc2N1CN1CCCCC1 226762110 WYZUPKYHIZKOAA-BZZOAKBMSA-N 369.468 4.751 30 40 FJEB CCOc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c1 408845579 HTFVUZOEXKXKGW-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB COc1ccc(C)cc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 3345723 JFYFAELSTVVMPP-UHFFFAOYSA-N 372.424 4.560 30 40 FJEB Cc1c(/C(=N/OCc2ccccc2)C2CC2)cnc2cc3c(cc12)OCO3 4089740 OGCFUOFPIKDKQO-ZNTNEXAZSA-N 360.413 4.603 30 40 FJEB CCc1ccc2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2c1 4848937 DARRLPUYRLRRIT-UHFFFAOYSA-N 365.433 4.539 30 40 FJEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccccc1F 5376933 KVVNTHFUSCJBDW-ZSOIEALJSA-N 366.339 4.736 30 40 FJEB N#Cc1ccccc1Oc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 8177779 KTKFRMQZZNJURC-UHFFFAOYSA-N 370.437 4.906 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc3cccc4c3c2CC4)cc(OC)c1OC 12813658 QEPGHNPRIHUWCF-KPKJPENVSA-N 374.436 4.860 30 40 FJEB CC(/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O)=C\c1ccco1 33661193 CZARHXRDDRNURZ-IECGRNSXSA-N 355.397 4.594 30 40 FJEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 38201658 ZOOUBZHWRXKNPH-DYTRJAOYSA-N 372.425 4.897 30 40 FJEB CCCC/N=c1/scc(-c2ccc(C)cc2)n1/N=C/c1ccccn1 103371595 YHDZTHZVHWKSEZ-GAAJVMOFSA-N 350.491 4.503 30 40 FJEB CC/N=C1/S/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C(=O)N1CC 408931408 LGNXYXZYZOUGQW-AHAYOKOZSA-N 366.914 4.829 30 40 FJEB Oc1ccccc1-c1nc(N/N=C/c2ccc(F)cc2)c2ccccc2n1 4748592 SPKWTRYIZRVXCG-YDZHTSKRSA-N 358.376 4.588 30 40 FJEB CSc1nc(NCCc2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 5607412 AQYQIMFZYDAOTI-UHFFFAOYSA-N 360.486 4.700 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)OCc3ccccc3)nc2cc1C 35312063 WZFPVSCCRKNNFA-UHFFFAOYSA-N 362.454 4.559 30 40 FJEB Cc1ccc(/C=C2/CN(C(=O)C3CC3)C/C(=C\c3ccc(C)cc3)C2=O)cc1 58166296 URQRJRCYFSYCST-BQGZOASHSA-N 371.480 4.592 30 40 FJEB Cn1cc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccccc21 65850399 UIEKFDMMZIOZNF-UHFFFAOYSA-N 363.486 4.562 30 40 FJEB Cc1ccccc1CS[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 97101658 OAJAXKQBHGBRCN-INIZCTEOSA-N 356.466 4.703 30 40 FJEB CCCCCCCCOc1ccc(/C=C/C(C)=N/NC(=N)NC)cc1OC 104265827 LETGDTPRMOTUQV-FYBGQPFKSA-N 374.529 4.567 30 40 FJEB Cc1cccc(Cn2nc(OCc3cc(C(C)C)ccc3C)c(C#N)c2N)c1 225845459 BYAYBUZSGMJNPA-UHFFFAOYSA-N 374.488 4.705 30 40 FJEB Cc1csc(N=C(O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)n1 329609100 QYKRHJBCZKOUPU-MRXNPFEDSA-N 367.478 4.614 30 40 FJEB O=C(Nc1cccc(Cl)c1)O/N=C(/c1ccccc1)c1ccccn1 829813 RFRJSRWNANFWNI-NKFKGCMQSA-N 351.793 4.736 30 40 FJEB CCc1ccccc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N 832527 HNXKAAFUNINNFN-UHFFFAOYSA-N 361.470 4.708 30 40 FJEB S=C(N/N=C/c1c[nH]c2ccccc12)Nc1ccc(Cl)cc1Cl 2318961 KMOMSVLTQOEZND-AWQFTUOYSA-N 363.273 4.795 30 40 FJEB CN(C)c1ccc(/C=N/c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1 5334076 WSPRSCGQNVJIMZ-PCLIKHOPSA-N 369.424 4.594 30 40 FJEB COCc1c(C(=O)Nc2ccc(C#N)cc2C(F)(F)F)oc2ccccc12 9364692 LEDBMOVWJCKEOK-UHFFFAOYSA-N 374.318 4.722 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3ccccc3CC)=NC2=O)cc1 35043490 OOUUCNOFVICZAT-XMHGGMMESA-N 364.470 4.896 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)[C@H]2[C@H]([C@H]3C=C[C@H]2C3)C1(F)F 256115888 NGEYGRCDNBGSKG-GDOKVURESA-N 358.175 4.546 30 40 FJEB O=C(O)c1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 408909589 HGIUHHCONVTZRA-KEBDBYFISA-N 370.748 4.957 30 40 FJEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2C(C)C)cc1 408915068 PAGCMTFSOUDBGV-KDWIEBRMSA-N 352.459 4.713 30 40 FJEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2oc(C)c(C)c2C#N)o1 408918863 PXKATMQNADPTGR-UFFVCSGVSA-N 365.345 4.696 30 40 FJEB CC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 4898701 QZOYHFUJRYHEAO-AUECTMLASA-N 371.893 4.584 30 40 FJEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 13626627 DCKPWNFGDLLRLD-YVLHZVERSA-N 356.805 4.908 30 40 FJEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 118925082 OLSBKXRYHRHMMU-VGGPIMSLSA-N 356.506 4.862 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 2087772 RDKWTBULQNEFPV-BGWNEDDSSA-N 368.541 4.718 30 40 FJEB CCOc1ccc(/C=C/c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1 8323870 PDJZZFZBIGDASR-FMIVXFBMSA-N 371.440 4.678 30 40 FJEB CCOC(=O)Nc1sc(N/N=C/c2ccco2)nc1-c1ccc(C)cc1 16751451 XCGZTHQNJCYTBT-YBFXNURJSA-N 370.434 4.726 30 40 FJEB CSc1nc(-c2ccccc2)c(C#N)c(N2CCCc3ccccc32)n1 19820482 JKNVIYDBYUBJRM-UHFFFAOYSA-N 358.470 4.821 30 40 FJEB C=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2Cl)ccc1OC 20038988 VAXNLULHJFRJQX-UHFFFAOYSA-N 373.836 4.506 30 40 FJEB Cc1cccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 34791493 ADWCFWMXMCYRHT-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB COc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 102417342 PMFBEKXHXUANFH-CIAFOILYSA-N 354.793 4.945 30 40 FJEB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931307 OXHFKWFVXTYEGN-CLTXQNHDSA-N 374.565 4.514 30 40 FJEB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 225751184 JAGVHESFEJSGET-UHFFFAOYSA-N 354.837 4.671 30 40 FJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)=O)cc3)c2C)cc1 408740363 BJFSNNMBHSZSPS-ZVHZXABRSA-N 374.440 4.834 30 40 FJEB COc1ccc(-c2cc(C#N)c(NC(=O)c3ccc(Cl)cc3)o2)cc1 948982 JYDZFUFLSNUPIM-UHFFFAOYSA-N 352.777 4.733 30 40 FJEB CN(C)c1ccc(/C=N\c2cc(N)cc(-c3nc4ccccc4o3)c2)cc1 5334100 XKCKSWQJFHIHRR-OYKKKHCWSA-N 356.429 4.894 30 40 FJEB N#Cc1ccc([C@H]2CC=CS2)nc1S[C@H](C(=O)O)c1ccccc1 6757158 VQLIGSDFPVUZIU-CVEARBPZSA-N 354.456 4.563 30 40 FJEB O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 6790829 OIYUKWUKIUDXAL-FPYGCLRLSA-N 366.598 4.907 30 40 FJEB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C#N)cc2)cs1 32891511 UHPAYOSITKDTCU-UHFFFAOYSA-N 365.483 4.868 30 40 FJEB CCCCCCCCCCCCCCCC[n+]1ccn(CC(=O)NO)c1 33353061 KYXHRRQYBOUYKP-UHFFFAOYSA-O 366.570 4.762 30 40 FJEB C/C(=N\OCc1cccc([N+](=O)[O-])c1C)c1nc2ccccc2n1C(F)F 97207236 LJRKDXILIUGFQE-WSDLNYQXSA-N 374.347 4.589 30 40 FJEB C=C(C)COc1ccc(C[C@H]2C(=O)Nc3cc(Cl)ccc32)cc1OC 100793219 NNQYRGHKPCVDGI-MRXNPFEDSA-N 357.837 4.582 30 40 FJEB biogenic CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2C)NC1=O 409089967 NWBIVWJMSWJFGR-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(O)c(O)c3)c2C#N)C1 409213209 RNIRTKDZYWPNOU-BTXKWLAHSA-N 354.475 4.933 30 40 FJEB C[C@H]1CCCC/C1=N\Nc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 4593045 UITJXZIZOUPSRP-KTNMXJNISA-N 366.421 4.825 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(C)C2=O)cc1 4660311 VUTSBYWNCFBVAW-KDWIEBRMSA-N 352.459 4.546 30 40 FJEB O=C(/C=C/c1ccccc1)C(C(=O)c1ccccc1)=C1SCCS1 103538546 CSSFKJAFDXXQGS-VAWYXSNFSA-N 352.480 4.843 30 40 FJEB C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928627 XIISKOBDMPFZPL-TZXQKUFUSA-N 360.538 4.878 30 40 FJEB CCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083806261 AFUPVKPPTTWYNP-UHFFFAOYSA-N 356.175 4.907 30 40 FJEB CC(C)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 4106409 OIFGYNHOUUTVQJ-IECUCWQJSA-N 365.502 4.765 30 40 FJEB O=[N+]([O-])c1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)ccc1Cl 5603525 BAJXOYXGGNYKRA-AWQFTUOYSA-N 361.188 4.896 30 40 FJEB O=C1C=C(Nc2ccc(OCc3ccccc3)cc2)C(=O)c2ccccc21 6257896 UIYOFLZKFFLFFG-UHFFFAOYSA-N 355.393 4.641 30 40 FJEB CCOc1cc(/C=C2\S/C(=N/c3cccc(C)c3)N=C2O)ccc1O 6783969 OZCJUPPFWITIME-BOPFTXTBSA-N 354.431 4.831 30 40 FJEB C#CCOc1cccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)c1 19240244 MVZZMWRQCNATJH-LJQANCHMSA-N 368.527 4.599 30 40 FJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)(C)C)cc1 226760347 QBEWGDDMXBQSNL-FQEVSTJZSA-N 367.489 4.515 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)S2)c(C)c1 408721481 RIDWOXAZWMOVBN-ODLFYWEKSA-N 361.470 4.985 30 40 FJEB O=C1/C(=C/c2ccc(O)c(Br)c2)Oc2c1ccc1ccccc21 1775965185 WZRNBQRJMFJAED-YVLHZVERSA-N 367.198 4.924 30 40 FJEB Cc1ccc(C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1[N+](=O)[O-] 3014242 VFJVCCUWAUGLMB-UHFFFAOYSA-N 374.352 4.786 30 40 FJEB N#Cc1ccccc1COC(=O)c1c2c(nc3ccccc13)CCCCC2 5936878 WHGVBGOOPNSDPR-UHFFFAOYSA-N 356.425 4.732 30 40 FJEB COc1cc2c(cc1OC)[C@@H](c1sccc1C)C1=C(CCCC1=O)N2 18196942 NABSNAQEDZMKCO-GOSISDBHSA-N 355.459 4.638 30 40 FJEB CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1OCc1ccccc1 96193684 DPFZUGQDEVCBFP-SXGWCWSVSA-N 371.820 4.634 30 40 FJEB C=CC/N=c1/scc(-c2ccc(C)cc2)n1/N=C/c1ccc(F)cc1 103371475 YCBRHWIDLDKBMX-YKMYIHFSSA-N 351.450 4.633 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 408907643 OJCOLXHAUGBXMU-BIXZQSIESA-N 352.459 4.708 30 40 FJEB COc1cccc(/C=N\c2ccc(C(C)(C)C)cc2)c1O[C@@H](C)C(=O)O 409244618 GGLVQPOIIUBDIU-CRRPLPBISA-N 355.434 4.595 30 40 FJEB CC(C)/N=C1/NCCCCCCOc2ccccc2Oc2ncccc21 643568914 QPDXNRLZFXSZEN-UHFFFAOYSA-N 353.466 4.571 30 40 FJEB N#Cc1cccc(Oc2ccc(C(=O)OCc3ccccc3)cc2)c1C#N 992714 ASKJVLDWRPLFSC-UHFFFAOYSA-N 354.365 4.579 30 40 FJEB CCC(NC(=O)Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F 2277245 HGFOULKZOUBGSZ-UHFFFAOYSA-N 366.664 4.874 30 40 FJEB biogenic COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccccc2)c1 5023529 LELPXDCRWKGWEM-ZRDIBKRKSA-N 364.422 4.872 30 40 FJEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc3c(c2)OCO3)c(C#N)c1N 12374691 DHIHEJFRNSXEJZ-UHFFFAOYSA-N 373.799 4.728 30 40 FJEB C[C@@H](Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1)C(=O)O 39557418 VJYGTMSMYDQFRP-BXDFRRGMSA-N 360.413 4.711 30 40 FJEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C#N 225683503 DAKCMYGAWOSVEZ-UHFFFAOYSA-N 366.436 4.935 30 40 FJEB Ic1ccccc1/N=C\c1cccn1-c1ccccc1 408844931 JCVAGLSPXQJUOK-UYRXBGFRSA-N 372.209 4.833 30 40 FJEB CCCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C)cc1 408916352 WOCGKTJXEAXZSE-BIXZQSIESA-N 352.459 4.715 30 40 FJEB Cc1cccc(NC2=C(c3ccc4c(c3)OCO4)C(=O)c3ccccc32)c1 2380665 RYBOVCZCTBHABG-UHFFFAOYSA-N 355.393 4.900 30 40 FJEB C/C(=N\Nc1nc(-c2ccccc2O)nc2ccccc12)c1ccccc1 4752206 BDBNJWCYWCMUOI-MFKUBSTISA-N 354.413 4.839 30 40 FJEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 5501565 GSHUJVIFHVMUPC-UHFFFAOYSA-N 366.877 4.948 30 40 FJEB Brc1ccc(/C=N/N=C2\Nc3cccc4cccc2c34)cc1 6438302 TUDWHHMLHHVTDZ-RGVLZGJSSA-N 350.219 4.809 30 40 FJEB CCOc1cc(/C=C/C(=O)c2cc3cccc(OC)c3o2)ccc1OC 7716076 OCVYENQZXDSRAF-CSKARUKUSA-N 352.386 4.745 30 40 FJEB CCOc1ccc2nc(SCC(=O)c3ccc(F)cc3)c(C#N)cc2c1 35289107 PCYASDMIAZWPFR-UHFFFAOYSA-N 366.417 4.619 30 40 FJEB CC(C)N1OC(=O)[C@@](C#N)(C(C)(C)C)C12c1ccccc1-c1ccccc12 38337777 NFBNQDQRFQRGIF-QFIPXVFZSA-N 360.457 4.649 30 40 FJEB CCCN(C(=O)c1cccc(C#N)c1)[C@H](C)c1ccccc1Br 40122721 ICSGAMFSUSIMHD-CQSZACIVSA-N 371.278 4.934 30 40 FJEB COc1ccc2c(c1)CC/C(=C\c1ccc(OC)c(OC(F)F)c1)C2=O 96792326 MVCQIFGSMJFLFT-NTEUORMPSA-N 360.356 4.518 30 40 FJEB CCc1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101473409 GTXQPUMROYUNFD-UHFFFAOYSA-N 352.196 4.900 30 40 FJEB CCOC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 409237125 JFBPWKCWEWNAQZ-XQNSMLJCSA-N 366.461 4.613 30 40 FJEB O=C(c1cc(F)cc(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F 575360834 JDYFGQREBLXSPL-UHFFFAOYSA-N 360.122 4.860 30 40 FJEB CC[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C1 670642 WLKJFUMPXRVZHJ-LBPRGKRZSA-N 374.893 4.806 30 40 FJEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(F)cc2)ccc1O 2483056 GHNYZNHKSLDUON-YDZHTSKRSA-N 361.376 4.605 30 40 FJEB N#CCCN(CC1CC1)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 96012389 JNXKFYHEJSHKHE-UHFFFAOYSA-N 360.866 4.850 30 40 FJEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=S)Nc3ccccc3)cc21 208202785 RHRIWDQIFUSTON-HSMAQGNYSA-N 366.534 4.729 30 40 FJEB C=CCOc1ccc(NC(=S)NCCSC2CCCCC2)cc1 225358881 JUHQRIWAWOEYJZ-UHFFFAOYSA-N 350.553 4.604 30 40 FJEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)cc1C#N 225844981 QMUZVNYWOFHXML-UHFFFAOYSA-N 360.498 4.763 30 40 FJEB CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(C)C1=O 408908533 FOUDEILHLKWBMI-KLPPEWMLSA-N 366.486 4.882 30 40 FJEB COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1 2081970 HWCKCCPRJRZZSW-UHFFFAOYSA-N 368.502 4.859 30 40 FJEB Cc1ccccc1N1C(=O)C[C@@]1(C#N)c1ccc(OCc2ccccc2)cc1 2379009 VZMIIORKWBRYQO-XMMPIXPASA-N 368.436 4.730 30 40 FJEB aggregator CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl 5444130 WLEIZGSKHQAVTM-GOSISDBHSA-N 369.848 4.574 30 40 FJEB CCSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)N2 5980681 HKISKVVFRKIYCO-SFHVURJKSA-N 368.506 4.536 30 40 FJEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 6048229 SOBDDAYVVPPJDJ-QHHAFSJGSA-N 367.144 4.706 30 40 FJEB O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1 10224799 OCNKRDJFLFQJNE-LJQANCHMSA-N 357.375 4.501 30 40 FJEB O=[N+]([O-])c1ccc(Cl)c(/C=N\Nc2nc3ccccc3s2)c1Cl 16545379 VHGCUUYCLNWCJE-IDUWFGFVSA-N 367.217 4.957 30 40 FJEB COc1cc2c(cc1OC)/C(=N\c1ccc(F)c(F)c1)NC1(CCCC1)C2 18042717 KAEJIHQKGKMURT-UHFFFAOYSA-N 372.415 4.519 30 40 FJEB COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 18197676 FSTOVNRFVLVECN-FQEVSTJZSA-N 369.848 4.922 30 40 FJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccccc2C(=O)OCC)cc1 44843049 QEHLKKKCLSXWJO-CCEZHUSRSA-N 367.445 4.851 30 40 FJEB C/C(=N\N=C(N/N=C(\C)C(C)(C)C)N/N=C(\C)C(C)(C)C)C(C)(C)C 59102679 HEZGZNOTYZIOPR-LHHAKPDNSA-N 350.555 4.788 30 40 FJEB CC(=O)Nc1cccc(C(=O)/C=C/c2csc(-c3cccs3)n2)c1 78481786 OHCJCXSVPXPXIT-BQYQJAHWSA-N 354.456 4.726 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1(F)F 100045539 NGEYGRCDNBGSKG-LYNCRYNASA-N 358.175 4.546 30 40 FJEB C#CCOc1c(C=NN(Cc2ccccc2)c2ccccc2)cccc1OC 250399462 LNBXNDUUMCNVFJ-UHFFFAOYSA-N 370.452 4.748 30 40 FJEB CC/N=C1/S/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C(=O)N1CC 408931409 LGNXYXZYZOUGQW-CZLOEGHQSA-N 366.914 4.829 30 40 FJEB C[C@@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)c(C#N)c3nc4ccccc4n23)C1 1467906 BLKQSOGNHGNRQP-CHWSQXEVSA-N 372.394 4.860 30 40 FJEB Fc1ccc(NC(=S)NN=C2c3ccccc3-c3ccccc32)c(F)c1 3273219 KLXLTKIULSHZAM-UHFFFAOYSA-N 365.408 4.684 30 40 FJEB COC(=O)c1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 4919156 AOYCPZURBYUACU-UFWORHAWSA-N 357.624 4.879 30 40 FJEB CCN1CCN(c2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2F)CC1 13063211 RIVCHJMTKAGDNW-BJMVGYQFSA-N 372.871 4.517 30 40 FJEB CCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(O)c(OC)c1 19848273 OBZWSAQVIDTJDC-UHFFFAOYSA-N 373.456 4.926 30 40 FJEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)c3ccccc3n2)cc1 46085410 UZYSDGITFFWHSE-LFVJCYFKSA-N 367.456 4.809 30 40 FJEB C[C@H]1C[C@@H]1C(=O)/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1 105774764 KQWZOGSDOXVTDB-SWRFGLAUSA-N 358.363 4.655 30 40 FJEB C=CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1OC 218658145 MJBCTFCIUVEJQR-LJQANCHMSA-N 365.473 4.764 30 40 FJEB N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1ccc(F)cc1 225889128 UURFZECEHAJOJJ-UHFFFAOYSA-N 357.841 4.934 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O 409064877 IPTPOUYXBMPQHC-CPNJWEJPSA-N 365.454 4.796 30 40 FJEB CC[C@@H]1S/C(=N/N=C(\C)c2ccccc2)N(c2ccc(C)cc2)C1=O 4558315 KMSWGRSAOVGMGM-LYQBTNCESA-N 351.475 4.634 30 40 FJEB Cc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3c(C)noc3n2)s1 10642357 CTUNKSXCNUASQZ-UHFFFAOYSA-N 374.425 4.692 30 40 FJEB N#Cc1ccccc1Sc1ccccc1C(=O)N1CCc2ccccc21 13149982 SWPRZXNEBOFFEX-UHFFFAOYSA-N 356.450 4.912 30 40 FJEB C=CCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 59503055 VINBSNBPTUMNEE-HKWRFOASSA-N 361.441 4.893 30 40 FJEB Cc1nn(-c2ccccc2)cc1C(=O)/C=C/c1cccc(Br)c1 97165216 KHSMQMMUGFMDPI-ZHACJKMWSA-N 367.246 4.839 30 40 FJEB C#CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 216895673 GRHHZIUXHBLFQV-VQHVLOKHSA-N 361.224 4.762 30 40 FJEB COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)c1 408844937 DNSHVQKXRXALMR-MFOYZWKCSA-N 372.877 4.857 30 40 FJEB CC[C@@H](C)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1 409018586 XGJQEOMNGRIXGG-JLXMYUAZSA-N 355.434 4.811 30 40 FJEB COc1cc(/C=C/C(=O)c2cc3ccccc3o2)cc(Br)c1O 6639581 YZCDIAFBHPSUTO-VOTSOKGWSA-N 373.202 4.806 30 40 FJEB O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 17417623 LFBAQAZMHWRBDK-LJQANCHMSA-N 361.357 4.672 30 40 FJEB CC(C)(Oc1ccc(Cl)cc1)/C(O)=N/c1nc(-c2ccccc2)n[nH]1 25157157 QEBGDAXCDXZCHH-UHFFFAOYSA-N 356.813 4.571 30 40 FJEB C=CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OCC)c1 216822196 FSSUXPDODCHRGG-UHFFFAOYSA-N 364.800 4.800 30 40 FJEB Cc1cc(C)c(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 1230540 RBMLOKNNEHZMJD-CNHKJKLMSA-N 354.631 4.881 30 40 FJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 2055163 GPZJJXIUPZFVPW-FQEVSTJZSA-N 367.489 4.552 30 40 FJEB O=C(Oc1ccc(/C=N/Nc2ccc3ccccc3c2)cc1)c1cccnc1 5257542 MYQUMNXRWOLAAS-MFKUBSTISA-N 367.408 4.900 30 40 FJEB C=CCn1c(SCC(=C)Cl)nc2scc(-c3ccco3)c2c1=O 11020379 TUDWIFHSYHYKPY-UHFFFAOYSA-N 364.879 4.749 30 40 FJEB CC1(C)C[C@]2(CCO1)/C(=N\c1ccccc1)N=C(S)N2c1ccccc1 13865247 NGNMHUMNTPTJCX-OAQYLSRUSA-N 365.502 4.850 30 40 FJEB CC(=O)N(C)c1cc(/N=C/c2ccccc2)ccc1OCc1ccccc1 17722879 ZJSBGLSFCBTBRQ-LFVJCYFKSA-N 358.441 4.999 30 40 FJEB ONC(=N\c1cccc2ccccc12)/C(=N/c1cccc2ccccc12)NO 18068432 JOSNEQPWOBOODP-UHFFFAOYSA-N 370.412 4.711 30 40 FJEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)cc1 100136894 DGYBJZOKYRXZGG-JBCNATCCSA-N 369.420 4.621 30 40 FJEB F[C@@H](C(F)(F)F)C(F)(F)COc1ccc(NCC(F)(F)F)cc1 103597994 VLPGIYGCTIPOGZ-SECBINFHSA-N 355.200 4.575 30 40 FJEB N#CCc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 225306131 QYXJLHLRWPJDQV-UHFFFAOYSA-N 350.274 4.546 30 40 FJEB COc1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1 408952679 MDKHIUPOWKEQHV-MOSHPQCFSA-N 355.235 4.999 30 40 FJEB CCc1cc(C#N)c(NC(=O)c2cc(Br)ccc2Cl)s1 604030427 WWUHSZVYMVQRMZ-UHFFFAOYSA-N 369.671 4.850 30 40 FJEB CCOC(=O)[C@@H](C#N)[C@@H](c1ccc(Cl)cc1)c1c(C)[nH]c2ccccc12 1463354 PVJKDIOOVIGMKS-FXAWDEMLSA-N 366.848 4.965 30 40 FJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 2179085 VLRNIHYVMWWXKW-UHFFFAOYSA-N 368.527 4.913 30 40 FJEB N#C/C(=N\Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1 4175397 ZZNNPTCDPKJHDF-HZHRSRAPSA-N 356.813 4.942 30 40 FJEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)cc1 11869318 AUIVKTRMSQSAGR-WQRHYEAKSA-N 362.406 4.892 30 40 FJEB Cc1c(C(=O)C2=CN(C)CCc3c2[nH]c2ccccc32)c2ccccc2n1C 85874666 XIGNAWINZSMRQJ-UHFFFAOYSA-N 369.468 4.680 30 40 FJEB biogenic CCCCCCC/C(=N/NC(=S)Nc1cccnc1)c1ccc(O)cc1 102990124 KSZCWLLYWKYFPM-NMWGTECJSA-N 370.522 4.838 30 40 FJEB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C#N 225750922 WLBWEXINKDAOCX-UHFFFAOYSA-N 354.837 4.671 30 40 FJEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 755358 SJWQZOVEUIHKNH-UHFFFAOYSA-N 368.527 4.913 30 40 FJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1c[nH]c2ccccc12 1857467 YALXONUQCWRJKI-CXUHLZMHSA-N 353.834 4.713 30 40 FJEB COc1cc(/C=N/N(c2ccccc2)c2ccccc2)ccc1OC(C)=O 4474161 RFCVIKFXWUUQQV-XQNSMLJCSA-N 360.413 4.793 30 40 FJEB C/C(=C/N1CCN(c2ccc(Cl)cc2)[C@H](C)C1)C(=O)c1ccccc1 5373440 ARDCRVXWCKCOQA-YHKKIHSWSA-N 354.881 4.637 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 6222258 WDUXFPUAENQNQJ-LPYMAVHISA-N 365.364 4.759 30 40 FJEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 18136789 ITRJOQMMAZPFAQ-JOCHJYFZSA-N 364.445 4.977 30 40 FJEB CCOc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 28182498 UTFAOMKGZTZACZ-JMIUGGIZSA-N 363.413 4.510 30 40 FJEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccco1)C2 29748867 KZODRXIQXBCGFB-HNNXBMFYSA-N 357.450 4.956 30 40 FJEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1F 408593636 QSMXGDHSMRAREI-WSDLNYQXSA-N 367.380 4.692 30 40 FJEB FC(F)(F)c1cccc(-n2cccc2/C=N\c2ccc3c(c2)OCO3)c1 408932104 UCKIEVAJFURQBS-KSEXSDGBSA-N 358.319 4.975 30 40 FJEB COc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1OC 1427485 FIOSYFRAZRTJLE-QGMBQPNBSA-N 370.630 4.576 30 40 FJEB COc1ccc(CNc2oc(-c3cccc4ccccc34)nc2C#N)cc1 2405890 XVJROJCRXOOIIO-UHFFFAOYSA-N 355.397 4.987 30 40 FJEB O=C(C(=NNc1ccccc1Cl)C(=O)c1ccccc1)c1ccccc1 4656925 ZPXKXQBJEUGXLB-UHFFFAOYSA-N 362.816 4.874 30 40 FJEB CN(/N=C\c1ccccc1)C(c1ccccc1)N(C)/N=C/c1ccccc1 4758780 OTAJGECFDSUQPP-ZFQRDYFNSA-N 356.473 4.617 30 40 FJEB Cc1ccn2c(/N=C/c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)nc2c1 4815713 SCZIOQXCCMHLGW-HYARGMPZSA-N 356.385 4.969 30 40 FJEB C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCCCC2)cc1 5688643 JLQQOSNIZMUROD-LTGZKZEYSA-N 352.438 4.811 30 40 FJEB C=CCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc23)SC1=S 12412338 YFNZNSLZWJBCGJ-ATVHPVEESA-N 355.484 4.626 30 40 FJEB N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccc(Cl)cc1 20094433 JZQKNKKGRTZZRK-UHFFFAOYSA-N 362.845 4.879 30 40 FJEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCC(C)C 33647876 BTXJORXBUAGOIE-UHFFFAOYSA-N 365.477 4.515 30 40 FJEB C=C(C)COc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1OC 40313275 VCXIIFLEHAZXNC-PXNMLYILSA-N 355.821 4.796 30 40 FJEB biogenic Cc1ccc(COc2ccccc2/C=C2\C(=O)ON=C2c2ccccc2)cc1 96769362 YGKBUCZQUYYSCT-QNGOZBTKSA-N 369.420 4.919 30 40 FJEB CCCCCCCCCCCCCC(=O)N1C(=O)CC[C@H]1C(=O)OCC 97950423 JIONFXUBSSXTPH-SFHVURJKSA-N 367.530 4.768 30 40 FJEB CC/N=c1/scc(-c2ccco2)n1/N=C/c1cccc(C(F)(F)F)c1 102925109 UIJHGTWEXWASSE-RYZRSQFGSA-N 365.380 4.631 30 40 FJEB COc1cc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)ccc1O 408718525 VHYRDSANXSKFGL-OEAKJJBVSA-N 371.396 4.868 30 40 FJEB COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(C(=O)O)cc1 409230837 GEXRYXBHSSFPLX-CIAFOILYSA-N 354.793 4.588 30 40 FJEB CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN3CCCCCC3)CC[C@H]21 12659052 UWQHCHABBAIPPF-JCTONOIOSA-N 367.533 4.963 30 40 FJEB O=C(/C=C\c1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 33376664 ZZLPQGVAUBCCGB-BENRWUELSA-N 358.393 4.890 30 40 FJEB C=CCOc1ccc(NC(=S)NCCCc2ccc(OCC)cc2)cc1 225623081 RYKGWVXMPYQKPU-UHFFFAOYSA-N 370.518 4.569 30 40 FJEB CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@@H](C)C1 225833264 PHFDMQYKMAROEU-IERDGZPVSA-N 358.482 4.517 30 40 FJEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 408961291 MILXWSWAHCRKAN-HTMJNSLASA-N 370.449 4.895 30 40 FJEB CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 1218675 FEJAOOZIOHPPQD-JOCHJYFZSA-N 361.489 4.975 30 40 FJEB biogenic CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2Cl)cc1 5900455 KHGRYABMPVADRE-YBFXNURJSA-N 358.854 4.542 30 40 FJEB O/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 11803756 PVEACFCEUJSMPR-RGVLZGJSSA-N 356.219 4.989 30 40 FJEB C=CCn1c(-c2ccc(OCC)cc2)cs/c1=N/N=C/c1ccccc1 33337658 PFERSGPEYKXLQD-YAPJOUOUSA-N 363.486 4.736 30 40 FJEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408908378 BZKSRVPFFCHUGW-QRVIBDJDSA-N 362.429 4.860 30 40 FJEB N#CCC1(CNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)CC1 594702945 ZQHKMQALVOHQQH-UHFFFAOYSA-N 357.816 4.837 30 40 FJEB COc1ccc(-c2nc3cc(/N=C/c4cccc(OC)c4O)ccc3o2)cc1 711193 LGYDMGFIJWVRSH-YDZHTSKRSA-N 374.396 4.968 30 40 FJEB O=C(O/N=C/c1c(Cl)cccc1Cl)c1cc(Cl)cnc1Cl 2570678 LAJYKIOENYHLFF-KPSZGOFPSA-N 364.015 4.886 30 40 FJEB N#Cc1ccccc1OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 3352941 LYLSXWZYBMMGQZ-UHFFFAOYSA-N 355.608 4.536 30 40 FJEB COc1ccc(/C=C2\COc3ccccc3C2=O)cc1OCc1ccccc1 3378063 NFDWMUYMADLHGZ-CPNJWEJPSA-N 372.420 4.933 30 40 FJEB CCN(CC)c1ccc(/C=N/Nc2cc(C)c3cc(C)ccc3n2)c(O)c1 5006892 MGMNRJYUKHPHFX-OEAKJJBVSA-N 362.477 4.849 30 40 FJEB CCN(CC)c1ccc(/N=C2/C(C)=Nn3c2nc2ccc(Cl)cc23)cc1 16678185 XWKTWIYSMDFAGL-QOCHGBHMSA-N 365.868 4.894 30 40 FJEB CSc1nc(-c2ccc(C)cc2)c(C#N)c(N(C)C2CCCCC2)n1 19794120 IQQGAAOJVMGHLE-UHFFFAOYSA-N 352.507 4.815 30 40 FJEB CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccccc2)C1=O 97951411 APHXWUGISRXJSA-HXUWFJFHSA-N 358.526 4.829 30 40 FJEB Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 408742618 WVRWVWQVASJSNB-LFVJCYFKSA-N 360.505 4.977 30 40 FJEB C=CCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408987752 GMNZCTBZSMHHRH-UHFFFAOYSA-N 352.459 4.898 30 40 FJEB O=c1c(/C=N/c2ccc(Cl)cc2)c(Nc2ccccc2)nc2ccccn12 910937 AXKKARQUBMIGRP-OEAKJJBVSA-N 374.831 4.842 30 40 FJEB Cc1cc(C)c(C#N)c(SCCCSc2nc(C)cc(C)c2C#N)n1 1979022 HQUFQGKKVPFXFA-UHFFFAOYSA-N 368.531 4.728 30 40 FJEB Cc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)o1 8550941 XOQDJGCORUIDDD-KPKJPENVSA-N 353.230 4.786 30 40 FJEB Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(OCCN3CCCC3)n2)cc1 36646309 WAXZPKLPVJCLSC-UHFFFAOYSA-N 373.456 4.663 30 40 FJEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 224709604 MYDRRHWVAKAKAX-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB C#CCOc1ccc(Br)cc1/C=N/c1sc(C)c(C)c1C#N 408808730 FJEXKTCYRRYSDA-KEBDBYFISA-N 373.275 4.762 30 40 FJEB CC/N=C1\S/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)N1CC 408850677 CHWORVQPHBWDLX-PTPABZONSA-N 352.459 4.791 30 40 FJEB C=CCOc1c(Cl)cc(C(=S)N2CCC(C)CC2)cc1OCC 6350971 YBLBNGHFPUQAKS-UHFFFAOYSA-N 353.915 4.711 30 40 FJEB CCCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10119056 MBXKMQDYYBHFKH-WSDLNYQXSA-N 367.276 4.915 30 40 FJEB CCN1C(=O)/C(=C/Nc2cccc(C)c2)S/C1=N\c1cccc(C)c1 13286519 YCNZMLMUFDWLBJ-GTFONSFASA-N 351.475 4.840 30 40 FJEB Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCCOc1ccc(C#N)cc1 15498464 XMOOMDRIDDDKGW-CQSZACIVSA-N 374.893 4.659 30 40 FJEB CCCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1Br 59120402 DZHZKQZWZFVJMR-AWEZNQCLSA-N 371.278 4.934 30 40 FJEB C#CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 73638326 UUDRWOHKABAYEG-VMPITWQZSA-N 365.610 4.552 30 40 FJEB O/N=C\c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 216811194 NDEBTWOIFNGYMH-WSVATBPTSA-N 358.594 4.629 30 40 FJEB Oc1c(C=Nc2ccc(I)cc2)ccc2ccccc12 260840524 ADXBIGOSCFZVRF-UHFFFAOYSA-N 373.193 4.901 30 40 FJEB Cc1ccc(C(=O)/C=C/N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 721378 CGRIBUPTAJPNPA-MDZDMXLPSA-N 374.406 4.532 30 40 FJEB C[C@@H](Nc1oc(COc2cccc(Cl)c2)nc1C#N)c1ccccc1 2333698 CNNBGJFFOCTYAU-CYBMUJFWSA-N 353.809 4.952 30 40 FJEB Fc1ccccc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl 2351402 JOIOFLQSSHQKBC-UWVJOHFNSA-N 367.236 4.562 30 40 FJEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/C=C/c1ccco1 5376746 UTBQQVAVXYULKK-HNBAAQFOSA-N 364.348 4.746 30 40 FJEB N#Cc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 29013046 IOWAIJAEVXUSSD-UHFFFAOYSA-N 373.359 4.953 30 40 FJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1 36358323 DXXKQCLKWVNMGF-AWEZNQCLSA-N 366.783 4.660 30 40 FJEB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@@H](C)C1 225854642 VVAYQOFUCQTFNY-IERDGZPVSA-N 358.482 4.659 30 40 FJEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 408911553 NVTKEKMNKGFNHW-STZFKDTASA-N 369.421 4.567 30 40 FJEB COc1ccc(/C=C/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409108575 WZHALACROWZQID-QFPUGKHMSA-N 365.311 4.733 30 40 FJEB Cn1cc(-c2ccc(CCO[C@H]3CCCCO3)cc2)c2c(C#N)cccc21 1648890 JTXWFGCXVHYEDK-QFIPXVFZSA-N 360.457 4.803 30 40 FJEB C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1 13371113 JWLZILSXRBYLTR-FSAHKVHBSA-N 367.492 4.881 30 40 FJEB COc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccc(C)cc3)n2)cc1 33011174 QPYJGTSOJUJKIJ-UHFFFAOYSA-N 374.465 4.912 30 40 FJEB COc1ccc([C@@H]2C[C@@]2(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 51330270 KFYFXOTZECSPIN-KSSFIOAISA-N 361.228 4.638 30 40 FJEB C/C(CC(=O)c1ccccc1)=N\CCC/N=C(\C)CC(=O)c1ccccc1 103061331 FQQYERHFBVGNBV-SIHVKLMXSA-N 362.473 4.844 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1c(Cl)cccc1Cl 409037106 SKZZCZFXDNUAQB-LRNAUUFOSA-N 357.056 4.707 30 40 FJEB CC[C@@H]1CCc2c(sc(NC(=O)CCc3ccc(OC)cc3)c2C#N)C1 2741810 DNKGIWZIPXBKQP-CQSZACIVSA-N 368.502 4.715 30 40 FJEB Cc1nn(-c2ccccc2)c(O)c1/C(=N/Nc1ccccc1)c1ccccc1 5536186 MPEMGVLEALXCEY-YYDJUVGSSA-N 368.440 4.751 30 40 FJEB Cc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1 5543282 ZYFARGURVWONSI-CAOOACKPSA-N 369.056 4.976 30 40 FJEB Cc1cccc(N/C(S)=N\Nc2ncc(C(F)(F)F)cc2Cl)c1 8687437 GZNHAIBGFYBYOK-UHFFFAOYSA-N 360.792 4.787 30 40 FJEB CCCNc1c(/N=C(\O)Nc2ccc(C)cc2)c(=O)oc2ccccc12 28048666 OLJQEPQABFDHEC-UHFFFAOYSA-N 351.406 4.581 30 40 FJEB N#C[C@@H](C(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 36278151 DRYBNGLTHOAQDE-VIFPVBQESA-N 352.362 4.867 30 40 FJEB COc1ccc2oc(-c3ccc4nc(NN=C(C)C)sc4c3)nc2c1 40542421 JIPNOAZVTWSXAE-UHFFFAOYSA-N 352.419 4.921 30 40 FJEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccc([N+](=O)[O-])cc1 59195411 AOVIHHILXWEHBW-UDWIEESQSA-N 352.419 4.863 30 40 FJEB Cn1/c(=N\N=C\c2cccc(OCc3ccccc3)c2)sc2ccccc21 105275261 RFUJWPOBTCLMQX-COWAANAZSA-N 373.481 4.754 30 40 FJEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccccc1F 408597172 XYASSOVLEOYWBZ-AFUMVMLFSA-N 360.388 4.827 30 40 FJEB C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O 408902966 STNHGDJVQDDLLV-SFQUDFHCSA-N 353.468 4.527 30 40 FJEB COc1cccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)c1 409104498 JDHZJODHMUOQAM-FYJGNVAPSA-N 364.357 4.852 30 40 FJEB C[C@H]1C[C@@H](C)CN([C@@H](C)CNc2oc(-c3ccc(Cl)cc3)nc2C#N)C1 1775965135 VPZWYPXRNUGSRE-ZNMIVQPWSA-N 372.900 4.645 30 40 FJEB CC(C)c1ccc(/C=N/n2cnc3c([nH]c4ccc(Cl)cc43)c2=O)cc1 2263156 GKBLNXMRHAYNKZ-AUEPDCJTSA-N 364.836 4.537 30 40 FJEB C=CCNc1nc(Nc2ccc(C)c(C)c2)c2cnn(-c3ccccc3)c2n1 9573525 YGERLBAVZBWZAG-UHFFFAOYSA-N 370.460 4.774 30 40 FJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 102864332 XCPALCJDRJRAJJ-JBCNATCCSA-N 369.420 4.621 30 40 FJEB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C#N 225854596 KNLIGNCYDBPPJJ-HRAATJIYSA-N 358.482 4.661 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O 409073781 IMEHDGCWDRWYDO-LDADJPATSA-N 369.417 4.627 30 40 FJEB C(=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1ccc2c(c1)OCO2 3045120 SFIHSRJNXLDEFS-YDZHTSKRSA-N 369.380 4.883 30 40 FJEB C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 4170249 PNDIWFPWHBHBEM-SFHVURJKSA-N 367.470 4.636 30 40 FJEB Cc1n[nH]c(=S)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 5461285 YIHOLLXQCYOLQI-LPYMAVHISA-N 374.469 4.864 30 40 FJEB C=C(C)COc1ccc(-c2ncncc2Oc2cccc(OC)c2)c(O)c1 5573721 KJDGQLFHQNRWGN-UHFFFAOYSA-N 364.401 4.605 30 40 FJEB CC1(C)CC(O)=C/C(=N\n2cnc3scc(-c4ccccc4)c3c2=O)C1 5839143 ZAHXDYFBZSQXFG-HYARGMPZSA-N 365.458 4.591 30 40 FJEB CCOc1ccc(/N=C/c2cc(OC)c(OC)cc2Br)cc1 6962322 WSLWUWUHDQQKOC-YBFXNURJSA-N 364.239 4.616 30 40 FJEB N#Cc1c(O)nc(SCc2ccc(Cl)cc2)nc1-c1cccs1 15989616 JQXFFLCVJXGBDY-UHFFFAOYSA-N 359.863 4.728 30 40 FJEB CC(C)c1ccc(CCCNC(=S)Nc2ccc(CC#N)cc2)cc1 225806569 SSYRIGWUTVVYSP-UHFFFAOYSA-N 351.519 4.795 30 40 FJEB Cc1ccccc1-c1nnc(C)n1-c1ccc(OCC2(CC#N)CC2)cc1 596265970 QJVKCBMATBCSOV-UHFFFAOYSA-N 358.445 4.624 30 40 FJEB C=CCSc1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3 2229496 WLUUSANOIKXNNL-INIZCTEOSA-N 352.550 4.933 30 40 FJEB N#Cc1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1 2619786 LVRHMUZWMQLTDW-UHFFFAOYSA-N 353.472 4.679 30 40 FJEB Cc1cc(C(=O)C[n+]2ccc3ccccc3c2)c(C)n1Cc1cccs1 7714555 CQRCSDOETNQGDC-UHFFFAOYSA-N 361.490 4.538 30 40 FJEB C=CCSc1ncc(Cl)c(C(=O)Nc2cccc3ccccc23)n1 9764296 PRWKTTNMYBXVQO-UHFFFAOYSA-N 355.850 4.814 30 40 FJEB O=[N+]([O-])c1cccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c1 32190510 CQPFVILQKOEINR-ODLFYWEKSA-N 364.386 4.911 30 40 FJEB CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC 33762659 WTMPQEAKKSCJMR-LBPRGKRZSA-N 370.832 4.989 30 40 FJEB O=C(/C=C(O)\C(O)=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 100469450 UAROJMZLVNTJFN-BEQMOXJMSA-N 363.196 4.943 30 40 FJEB COc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1ccco1 102417355 WNQKZWHDUUJLAG-SRZZPIQSSA-N 370.792 4.650 30 40 FJEB CCN1c2ccc(/C=N\Nc3ccc(C(=O)O)cc3)cc2[C@H](C)CC1(C)C 208314638 JHIXIDYKHIDRMT-JNCAFBRLSA-N 365.477 4.943 30 40 FJEB C=CCN(c1c(C)cccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224927632 IUQUPUMYPJLQHA-UHFFFAOYSA-N 370.301 4.992 30 40 FJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 226334858 AQRPHKJBVQGNLT-UXBLZVDNSA-N 373.792 4.570 30 40 FJEB Cc1c(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc2n1C 408814224 QQUIPSSPIPIJAU-WQRHYEAKSA-N 365.433 4.517 30 40 FJEB C#CCn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 408902278 MRVWOIUZTVSJQW-CPNJWEJPSA-N 374.490 4.680 30 40 FJEB CC(C)CC/N=C1/NCCCCCOc2ccccc2Oc2ncccc21 643572034 ZFOWAHKSNWYVRR-UHFFFAOYSA-N 367.493 4.819 30 40 FJEB O=C(C=Cc1ccccc1O)c1cccc(C(=O)C=Cc2ccccc2O)c1 2049238488 FRFLRNQXMSSLLA-UHFFFAOYSA-N 370.404 4.890 30 40 FJEB N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccc(Cl)cc1Cl 4723503 KWZDXZCKEWOUTI-UHFFFAOYSA-N 373.239 4.818 30 40 FJEB COc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccco1 4918060 SXQMHLVBZOOIOP-CIAFOILYSA-N 370.792 4.607 30 40 FJEB O=C(/C=C/c1ccccc1Br)c1ccc(-n2ccnc2)cc1 8715798 TTXSAWZPWRKYIT-JXMROGBWSA-N 353.219 4.531 30 40 FJEB CCOc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 28182608 AXPMHTWJQURYMX-FBHDLOMBSA-N 363.413 4.685 30 40 FJEB Cc1ccc(OCCn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)cc1 225861728 UACDRLAOQHJUKL-UHFFFAOYSA-N 365.864 4.574 30 40 FJEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(CC(=O)O)cc1 408620804 KBULBWIMBOTGMR-JLHYYAGUSA-N 359.425 4.617 30 40 FJEB Cc1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1C 408800467 MPYIFYOQYOSOLB-IWIPYMOSSA-N 364.489 4.882 30 40 FJEB CC(=O)Nc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 3148595 KODTYBZGYYKPJJ-QGMBQPNBSA-N 352.177 4.611 30 40 FJEB N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 5333380 UATBRTBPXUJWCO-UHFFFAOYSA-N 350.422 4.583 30 40 FJEB CC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(-c3ccco3)c2CO1 13116021 ZICILCWQDGGMQM-UHFFFAOYSA-N 373.456 4.719 30 40 FJEB COc1ccc(/C=N\Nc2nc3ccccc3s2)cc1Br 28617758 QIMMDJIDQUQKOY-MFOYZWKCSA-N 362.252 4.513 30 40 FJEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)NC1CCCCC1 100397903 TXIJLCBKVIKJOS-UCQKPKSFSA-N 370.880 4.918 30 40 FJEB C=CCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 245297616 UZECRIRVJZFHAY-GJEUKYARSA-N 358.485 4.899 30 40 FJEB CC/N=C1\S/C(=C\c2cc(C(C)C)c(O)c(C(C)C)c2)C(=O)N1CC 408857028 MSYGPZDOOMGPGB-ICSPAVNMSA-N 360.523 4.951 30 40 FJEB COc1ccc([C@H](C#N)c2ccc(C(=O)c3ccccc3)cc2)cc1OC 1397748 WDRPNTANSXDVJV-HXUWFJFHSA-N 357.409 4.590 30 40 FJEB CCc1ccccc1/N=C1/S/C(=C/c2ccc(O)cc2)C(=O)N1CC 4690940 BCPYOCINYWMYDE-KXNKKEQVSA-N 352.459 4.579 30 40 FJEB C=CCn1c(SCc2ccccc2)nnc1[C@H](C)Oc1ccccc1 35682600 FDJPDSQHLAAMFQ-INIZCTEOSA-N 351.475 4.896 30 40 FJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1Cl 69374805 VQEOJIILXZONKJ-CRAIPNDOSA-N 360.862 4.721 30 40 FJEB CCOc1cc(C)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1C(C)C 408594516 TWPQGVKLKHRKLD-CIAFOILYSA-N 356.422 4.976 30 40 FJEB N#Cc1ccc(COc2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)cc1 409193120 CCJQRFNETVOBFX-FYJGNVAPSA-N 352.393 4.630 30 40 FJEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 5279087 ZZLPQGVAUBCCGB-ZRDIBKRKSA-N 358.393 4.890 30 40 FJEB CC1(C)[C@H]2CC=C(/C=N/n3c(S)nnc3-c3ccccc3Cl)[C@@H]1C2 7990899 OGOGUNCUNDDLJR-RXYWKKKQSA-N 358.898 4.714 30 40 FJEB COc1cccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c1 8277644 IZZXBCRUNIXKOU-MHWRWJLKSA-N 358.850 4.549 30 40 FJEB CCCCC[C@@H](CN(C)C)C(=O)/C=C\c1ccc(Br)cc1 17126414 RIWMHWKZNAZBPC-DDKJEQMHSA-N 352.316 4.790 30 40 FJEB COc1cc2c(cc1OC)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 18199995 RXFZBYXLUYWDJU-IBGZPJMESA-N 369.486 4.966 30 40 FJEB C=CCOc1ccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)cc1 225633097 OWXIYUSGLZTVOV-KRWDZBQOSA-N 354.519 4.807 30 40 FJEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1c(F)cccc1Cl 408867885 OHFXCBFXYMDIJM-ZSOIEALJSA-N 350.777 4.510 30 40 FJEB Cc1ccccc1NC(=O)COc1ccc(/C=N\OCc2ccccc2)cc1 409020980 WMOCCLAPPCYVJB-IWIPYMOSSA-N 374.440 4.563 30 40 FJEB CC(=O)/C(=N/c1ccc(Cl)cc1Cl)NNc1ccc(Cl)cc1 5789426 IZRUPSUKUSTNGV-UHFFFAOYSA-N 356.640 4.883 30 40 FJEB CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccsc3)c(=O)oc2c1 7039566 JBXFHGOFKOTRRT-VMPITWQZSA-N 353.443 4.597 30 40 FJEB C=CCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 8041638 AKQRTSRRESJRFZ-UHFFFAOYSA-N 361.894 4.568 30 40 FJEB COc1cccc2cc(C(=O)/C=C/c3ccc(O)c(Br)c3)oc12 12792995 KFRYREHMBXGXQO-SOFGYWHQSA-N 373.202 4.806 30 40 FJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 21167727 ZWFHGYWMJMCZSA-OAHLLOKOSA-N 365.864 4.786 30 40 FJEB C=C(C)c1nc(C#N)c(N/N=C/c2ccc(OCc3ccccc3)cc2)o1 27562361 VKDVNILTXWZRJJ-YDZHTSKRSA-N 358.401 4.604 30 40 FJEB O=C1CCCC2=C1C(c1ccc(Br)cc1)C1=C(CCCC1=O)O2 59193554 MOUVMNUUXACZIN-UHFFFAOYSA-N 373.246 4.577 30 40 FJEB C=CCNC(=O)c1ccccc1NCc1ncc(-c2ccccc2Cl)o1 80756481 ULIAKYPADLKXMI-UHFFFAOYSA-N 367.836 4.523 30 40 FJEB C=C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927798 WHUVCKHSKYGQND-KIYFCUGLSA-N 358.522 4.798 30 40 FJEB Cc1c(/C=N/c2ccccc2I)c2ccccc2n1C 408850748 DQMUIBOOTVYIPX-YBFXNURJSA-N 374.225 4.842 30 40 FJEB O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccccc2)c1 409070331 FKQHNYCMYUZXSU-QNGOZBTKSA-N 355.393 4.610 30 40 FJEB C#CCOc1c(CC=C)cc(CNc2ccc(OCC)cc2)cc1OCC 409119806 QKMCCCICQQHGOW-UHFFFAOYSA-N 365.473 4.837 30 40 FJEB CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccccc2)C1=O 4936854 IJGWBVHPNOYBOJ-OJIBODITSA-N 365.502 4.548 30 40 FJEB COc1ccc(C(=O)N2CCCS/C2=N\c2ccc(C)c(Cl)c2)cc1 12577571 YVLZDVULVAQPPT-VZCXRCSSSA-N 374.893 4.924 30 40 FJEB COc1cc(/C(C)=N/Nc2ccccc2C(=O)O)ccc1SC(F)F 58197425 QXKUGNSMUUBSEA-KEBDBYFISA-N 366.389 4.544 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)COc1ccccc1Br 72265782 NVGXDYLZXBQRBZ-UHFFFAOYSA-N 355.047 4.661 30 40 FJEB Cc1c(/N=C/c2cc(Cl)cc(Br)c2O)cccc1[N+](=O)[O-] 102422538 BRIYYQUZWSMZCV-REZTVBANSA-N 369.602 4.775 30 40 FJEB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)c1 408624763 ZTTRMIZRLVCBBJ-UHFFFAOYSA-N 373.387 4.510 30 40 FJEB CCc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 1222299 XXJPEJLYYBTWHG-UHFFFAOYSA-N 361.470 4.708 30 40 FJEB Cc1ccc(Cn2nc(C)c(N/C=C/C(=O)c3ccc(F)cc3)c2C)cc1 2794290 FEJDVLHUGCVVKP-OUKQBFOZSA-N 363.436 4.804 30 40 FJEB N#Cc1ccc(COC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 3412733 MCQKPDLAGBCFRR-UHFFFAOYSA-N 366.420 4.923 30 40 FJEB CC(C)CCn1nc(/C(O)=N/c2ccc(Cl)cc2)c2ccccc2c1=O 3456163 NHDQXYOZLUGSIT-UHFFFAOYSA-N 369.852 4.732 30 40 FJEB C=CCc1cc(/C=N/Nc2nc3ccccc3s2)cc(OCC)c1OC 4655940 DPNJDEVNCZWFBJ-FYJGNVAPSA-N 367.474 4.878 30 40 FJEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)c(C)c1 8368835 PPLSKWCXPUUOMA-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1cccs1 13769234 UEUGQMCIGDZVFJ-YVLHZVERSA-N 366.369 4.723 30 40 FJEB CCN(C(=O)CCc1ccc(Cl)s1)c1ccc(C#N)c(Cl)c1 95439126 GVTNKYSLXMMPBM-UHFFFAOYSA-N 353.274 4.912 30 40 FJEB Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C1\Cc2c(O)cccc2C1=O 98054989 DSEWBLJPQOPHFG-GXDHUFHOSA-N 364.832 4.671 30 40 FJEB CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=S)Nc3ccccc3)cc21 208440235 PMHFLZNOLSXJGS-HMAPJEAMSA-N 364.518 4.639 30 40 FJEB COc1cc(C)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1C(C)C 408932830 ZRBVBKJRMUMSRC-HZHRSRAPSA-N 352.478 4.714 30 40 FJEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 634036 KOXYEUFKDOGQOJ-FQEVSTJZSA-N 373.452 4.822 30 40 FJEB O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccccc1)c1cc2ccccc2o1 3261668 IIJKOWFMFSYHME-UHFFFAOYSA-O 373.457 4.771 30 40 FJEB C[C@H]1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C#N)C1 4167554 IJVOECMVHGVFFU-ZDUSSCGKSA-N 356.516 4.865 30 40 FJEB CCN(CC)c1oc(-c2ccc(COc3ccc(C)c(C)c3)o2)nc1C#N 39404153 NKFFOURZLNNYLU-UHFFFAOYSA-N 365.433 4.848 30 40 FJEB C=CCOc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 225071550 UWBOWKUHAKVIQN-UHFFFAOYSA-N 366.642 4.920 30 40 FJEB C=CCOc1c(/C=C2/SC(=O)N(c3ccccc3)C2=O)cccc1OC 408528485 GIQOBJQPDYWOJG-GHRIWEEISA-N 367.426 4.501 30 40 FJEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N(C)C)cc1 408914518 YFKVACOTDAOZCL-YDZHTSKRSA-N 361.445 4.639 30 40 FJEB CC1=NOC(=O)/C1=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 409066238 MMBLOHZGPDEBBC-NVNXTCNLSA-N 362.212 4.889 30 40 FJEB C=CCSc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 2661056 XRUGZNABLIDYGN-UHFFFAOYSA-N 367.499 4.664 30 40 FJEB COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)c2ccccc2)cc1 4029781 BNPRJFYEIHLUSP-DTQAZKPQSA-N 358.393 4.811 30 40 FJEB biogenic Clc1cccc(Cl)c1CN/N=C/c1cccc(Br)c1 9195747 GRNBYKLFMADVFW-QGMBQPNBSA-N 358.066 4.880 30 40 FJEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C2 12080343 ASMAHLZUEWTNTJ-NRWCZATHSA-N 350.802 4.607 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccc(OC)cc1 206616427 WABVOBRARRDVMZ-HWWZFDGNSA-N 372.877 4.973 30 40 FJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccccc3)cc2)c1 408589081 CXIKQIAJLRTKDK-HYARGMPZSA-N 362.385 4.725 30 40 FJEB CC(=O)c1ccc(-c2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)o2)cc1 408589689 FMYVGMSJPPCIIF-CIAFOILYSA-N 364.357 4.608 30 40 FJEB C=CCSc1nc2sc(CC)c(C)c2c(=O)n1-c1ccc(C)cc1 409118924 RJAXGSQBCQVGRZ-UHFFFAOYSA-N 356.516 4.905 30 40 FJEB Cc1ccc(/N=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 409120791 UDHNYJRIYLKINK-MTJSOVHGSA-N 350.403 4.595 30 40 FJEB Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 409198990 ATRXQKCTLQDGOQ-JCMHNJIXSA-N 365.454 4.822 30 40 FJEB N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccc(F)cc1F 603968553 BBCFJTCPMSPKEY-UHFFFAOYSA-N 370.380 4.582 30 40 FJEB CCCCn1c(=O)c(-c2ccc3ccccc3n2)c(C#N)c2ccccc21 5655579 KUYYGRHFQZMRAN-UHFFFAOYSA-N 353.425 4.888 30 40 FJEB C=CCNC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 12366594 GDTQZNKBGMKGKX-UHFFFAOYSA-N 363.501 4.612 30 40 FJEB C=CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 208844689 OPDFKDMMTWNGNG-QGOAFFKASA-N 352.821 4.711 30 40 FJEB C=CCOc1ccc(NC(=S)NCCSCc2ccccc2C)cc1 225362458 KVFRQMLNKKNVLO-UHFFFAOYSA-N 372.559 4.780 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C)c3)S2)cc1 408961832 OIWDGKGORRFHTM-XSFVSMFZSA-N 373.481 4.986 30 40 FJEB COc1cc(/C=N\C2CCCCC2)ccc1OCc1ccc(C(=O)O)cc1 408965550 IRDOIILKIUIKGR-UCQKPKSFSA-N 367.445 4.724 30 40 FJEB COc1ccc2cc(Br)ccc2c1/C=N/c1c(C)nn(C)c1C 408976098 PBZPZZJSMMSLRW-KEBDBYFISA-N 372.266 4.712 30 40 FJEB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1 2346574 PQKBCHASHUJQPG-UHFFFAOYSA-N 359.454 4.660 30 40 FJEB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 4079553 AAYJYAKGRGBAGK-UHFFFAOYSA-N 354.475 4.928 30 40 FJEB COc1ccc(OC(=O)c2ccco2)c(C(=O)/C=C/c2ccccc2F)c1 6453936 GEGBCABMQNWYMJ-CSKARUKUSA-N 366.344 4.543 30 40 FJEB CCOc1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 6870397 BOXOBSBGBGWVQX-FQHLDWHWSA-N 364.470 4.923 30 40 FJEB C=CCOc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 14783728 GTRDYLXAZXSACC-UHFFFAOYSA-N 352.217 4.576 30 40 FJEB C=CCn1c(SCc2ccc(C)cc2)nc2c([nH]c3ccccc32)c1=O 17041800 GGOQKYZNNFRDST-UHFFFAOYSA-N 361.470 4.665 30 40 FJEB O=C1Nc2ccc(Br)cc2/C1=N/c1ccc2ccccc2c1 17729218 VPKCWNYXDNNTCE-UHFFFAOYSA-N 351.203 4.675 30 40 FJEB N#Cc1cccc(NC(=O)c2ccc(SCc3cscn3)cc2)c1 23043316 ZKADUYDHVMHJSS-UHFFFAOYSA-N 351.456 4.559 30 40 FJEB CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CCN(C)C2 408601190 IXWAYYPLSLYTJJ-ZDXHCBJDSA-N 353.491 4.536 30 40 FJEB Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408853335 REFSKLRWRCYOEZ-JJFYIABZSA-N 368.820 4.902 30 40 FJEB N#Cc1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2 4079254 OAVCONBCUOSJAE-SOFGYWHQSA-N 373.459 4.510 30 40 FJEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 4740360 SNHXXYZNPJORBS-IHCIQGKHSA-N 366.436 4.978 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3cccc(C)c3C)=NC2=O)cc1 5797756 NANRCBCLQBONCO-CPNJWEJPSA-N 364.470 4.951 30 40 FJEB N#Cc1ccc(-c2csc(NC(=O)CCc3ccccc3Cl)n2)cc1 7778108 XTTIUATUFDWVPP-UHFFFAOYSA-N 367.861 4.906 30 40 FJEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc2c3c(cccc13)CC2 408757424 ZVLUSRXERRVZOW-UYRXBGFRSA-N 356.450 4.830 30 40 FJEB Cc1cc(Br)ccc1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575362129 FWPPWSJHXBWPQU-UHFFFAOYSA-N 367.058 4.773 30 40 FJEB C=CCn1c(SCc2cccc3ccccc23)nnc1-c1cccnc1 2378787 HBAYHWNVGIWBDA-UHFFFAOYSA-N 358.470 4.972 30 40 FJEB Cc1ccc(/C=N/N=c2/sc3ccccc3n2Cc2ccccc2)cc1 4703533 DBNAPDLLJKOHNR-COWAANAZSA-N 357.482 4.994 30 40 FJEB O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 6831558 SKJDNOZNUFXIKD-VZUCSPMQSA-N 354.381 4.620 30 40 FJEB CCN1C=C(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H](c2ccccc2)NC1=O 12390041 ULLYKRBICSLTMY-XEDBTPMOSA-N 366.848 4.593 30 40 FJEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccc(C)cc3)C(=O)N=C2S1 100653682 YCSSQQICDNKNKF-IGLFKNPDSA-N 368.506 4.975 30 40 FJEB CNc1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 100724013 HJPVVBCICYOONZ-UHFFFAOYSA-N 358.509 4.879 30 40 FJEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 408760944 BDOVBNXOFMWECM-RYRKJORJSA-N 351.793 4.946 30 40 FJEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc(Cl)cc(Cl)c1O 5007473 PHOOBMVLDHLFEV-NTUHNPAUSA-N 365.241 4.591 30 40 FJEB CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCO 104347297 VRAWJQPYXHZBSK-UHFFFAOYSA-N 369.614 4.681 30 40 FJEB CCOc1ccc2cc(C3=C/C(=N/Nc4ccccc4)C(=O)O3)ccc2c1 408726820 VOPURIAFYMBCQS-GFMRDNFCSA-N 358.397 4.604 30 40 FJEB O=C(O)c1cccc(-n2cccc2/C=N/c2cccc(Br)c2)c1 409108051 VHHAXHDAILXNAQ-UDWIEESQSA-N 369.218 4.689 30 40 FJEB COc1cc(/C=C/C(=O)c2cc(C)sc2C)cc(Br)c1O 13140779 YBPUPEWKLVTQIU-SNAWJCMRSA-N 367.264 4.738 30 40 FJEB C/C(=C\C(=O)c1cccnc1)Nc1ccc(Cl)cc1Br 15228265 FVINZALXBQHSRJ-JXMROGBWSA-N 351.631 4.696 30 40 FJEB COc1cccc(/C=N\c2ccc(Cl)c(Cl)c2)c1O[C@@H](C)C(=O)O 409248836 RLOUAKQAVJTZLF-ZFKRWFGPSA-N 368.216 4.605 30 40 FJEB N#Cc1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCCCC2 5192371 QTWRRGOWRAXFCC-UHFFFAOYSA-N 360.479 4.759 30 40 FJEB COc1cc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc(OC)c1OC 6639954 VNWRUEWCRKSXRV-CMDGGOBGSA-N 366.335 4.627 30 40 FJEB CCOc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 9306765 IKFJMXVFABXZKS-UNOMPAQXSA-N 366.413 4.653 30 40 FJEB N#Cc1ccccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 14140299 XPEOEGHHFBOXKD-UHFFFAOYSA-N 369.833 4.597 30 40 FJEB Brc1ccccc1/C=N\N=C/c1ccccc1Br 17379080 UQXSQQHKLNFMFJ-XFQWXJFMSA-N 366.056 4.665 30 40 FJEB Cc1ccc(/N=C/c2cc(Br)ccc2O)c(Br)c1 44835886 FTMOZWODNVIUBA-CAOOACKPSA-N 369.056 4.976 30 40 FJEB CC(=O)N(C)c1nc(/C=C/C(=O)c2ccc(-c3cccs3)cc2)cs1 58175136 NKKIUKMNWNZVLG-MDZDMXLPSA-N 368.483 4.750 30 40 FJEB CCN(Cc1ccc(C#N)cc1F)C(=O)c1cc2c(s1)CCCCC2 60589221 GCANOQQJDDAHED-UHFFFAOYSA-N 356.466 4.690 30 40 FJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)o1 408913639 VUQXNFYCXZRIPK-ODLFYWEKSA-N 366.333 4.517 30 40 FJEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3cccc(Cl)c3)ccc21 5184794 GKWHWZVYZIZDND-JMIUGGIZSA-N 363.800 4.930 30 40 FJEB O=C(/C=C/c1ccccc1C(F)(F)F)c1cccc(N2CCCC2=O)c1 7350111 ORXGEXJISRFASA-ZHACJKMWSA-N 359.347 4.728 30 40 FJEB O=C(/C=C\c1ccc2c(c1)OCCO2)c1ccccc1OCc1ccccc1 33376666 TYWWUXORZPJQEN-BENRWUELSA-N 372.420 4.933 30 40 FJEB Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)oc2ccc(F)cc12 40038277 FYBUQFSIVDBLSI-UHFFFAOYSA-N 354.406 4.945 30 40 FJEB O=C(Nc1cccc(OCC#Cc2ccc(Cl)cc2)c1)c1ccco1 72314414 VONGUJKKNDQSHV-UHFFFAOYSA-N 351.789 4.616 30 40 FJEB C/C(=N\c1cccc(O)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643563 BUPZUZGTXCHIFF-BUVRLJJBSA-N 370.408 4.543 30 40 FJEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)SC1=S 408820334 WWLSFUAMNKZAEP-BOPFTXTBSA-N 372.490 4.620 30 40 FJEB C=CCOc1ccc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1OCC 409112197 FGMKYCZMNQXWCV-CYVLTUHYSA-N 363.457 4.947 30 40 FJEB N#Cc1c(/N=C/c2ccc(O)c(O)c2)oc(-c2ccco2)c1-c1ccco1 409383012 SRVDJNZWBQQQSO-SSDVNMTOSA-N 360.325 4.833 30 40 FJEB CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 3079498 TZQKSBDTEIXFRO-UHFFFAOYSA-N 354.450 4.944 30 40 FJEB biogenic COc1ccccc1/C=N/N=c1/sc2ccccc2n1Cc1ccccc1 4703544 LYDIPQNUVQBVNZ-COWAANAZSA-N 373.481 4.695 30 40 FJEB CCSc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 10252466 LNAZDZUEWMPUML-UHFFFAOYSA-N 356.516 4.792 30 40 FJEB Cc1nc2c(cc(OC(=O)c3ccc(C#N)cc3)c3ccsc32)s1 14651105 LFLGOUBMRCYHCY-UHFFFAOYSA-N 350.424 4.910 30 40 FJEB COc1cc2c(cc1OC)[C@H](C)N(C/C(O)=N/c1cc(C)cc(C)c1)CC2 82100497 FMSSXEYVLVLGCB-INIZCTEOSA-N 368.477 4.528 30 40 FJEB COc1ccc2ccc(OC)c(/C=N\Nc3nc4ccccc4s3)c2c1 409007889 RIQGWHCOCXVFIO-MTJSOVHGSA-N 363.442 4.913 30 40 FJEB O=C(c1ccc(F)cc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575360337 BVFSBLVNLLGRJB-UHFFFAOYSA-N 360.122 4.860 30 40 FJEB F[C@H](C(F)(F)F)[C@](F)(Oc1ccc(Br)cc1)C(F)(F)F 627280226 DAPZTXZPQZYDEY-YUMQZZPRSA-N 373.037 4.956 30 40 FJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(CC)cc1 4918804 SVVGENASNDJHSL-FXAWDEMLSA-N 354.471 4.630 30 40 FJEB N#Cc1c(N)nc(SCc2ccccc2F)c(C#N)c1-c1cccs1 19805233 KUFOZBMAJKNPCW-UHFFFAOYSA-N 366.446 4.567 30 40 FJEB C=CCSc1nnc(NC(=O)CCc2cccc3ccccc23)s1 225515675 KCDDGGDPZWFOGC-UHFFFAOYSA-N 355.488 4.541 30 40 FJEB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@H](C)C1 225854872 UDOLYPKJVXFNHL-HTAPYJJXSA-N 372.509 4.907 30 40 FJEB CCCCCCCc1nnc(SCC(=O)N(C)c2ccccc2)n1CC 408560978 SLKFWRKUBMVNDH-UHFFFAOYSA-N 374.554 4.566 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3)S2)cc1 408960175 DAQZKUFJFFDUSB-XSFVSMFZSA-N 373.481 4.986 30 40 FJEB F[C@H](C(F)(F)F)C(F)(F)COc1ccccc1NCC(F)(F)F 1083810950 AYFVDWQSXKHAFY-VIFPVBQESA-N 355.200 4.575 30 40 FJEB CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)OC3)cc1 2452158 XAMLWPLSPBYTIL-UHFFFAOYSA-N 370.474 4.512 30 40 FJEB C=CCn1c(SCc2ccccc2F)nnc1-c1ccccc1OC 5131453 JKHIZLZPEHMNLA-UHFFFAOYSA-N 355.438 4.571 30 40 FJEB Cc1nn(Cc2ccccc2)c(C)c1/C=N/CCc1ccc(Cl)cc1 35325783 MJNOYHWADUSBFE-OEAKJJBVSA-N 351.881 4.863 30 40 FJEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2ccc(Cl)cc21 46084662 DBVXSHCRMGEKKW-QOCHGBHMSA-N 372.852 4.634 30 40 FJEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cccc(Cl)c32)cc1 46084737 NVBXOHPAIGWWDJ-PYCFMQQDSA-N 372.852 4.634 30 40 FJEB COC(=O)c1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 96766960 ZZDLTCXBCRQXTD-QFXGEWDLSA-N 370.404 4.873 30 40 FJEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)c(Cl)c1 409236925 IDCNTSVOLCFHKS-MTJSOVHGSA-N 365.260 4.589 30 40 FJEB COc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 885436 LWLWBAFUHMFAOP-HSZRJFAPSA-N 356.425 4.917 30 40 FJEB C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O 4910325 XAWDUGVRYRKJAA-FQEVSTJZSA-N 373.500 4.710 30 40 FJEB Cc1ccc(O)c(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCC3)c1 5277198 RXWXYQBUCQFNJE-UHFFFAOYSA-N 354.413 4.606 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1 39857520 INBSHWLPKJKVNJ-AQTBWJFISA-N 367.426 4.501 30 40 FJEB C=CCc1cc([N+](=O)[O-])cc(C=Nc2sc3c(c2C#N)CCCC3)c1O 245228870 HXMCQJORGTYURN-UHFFFAOYSA-N 367.430 4.591 30 40 FJEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1 409013180 LZUZRNJRXVRMOA-LPYMAVHISA-N 352.821 4.976 30 40 FJEB N#Cc1nc([C@@H]2C[C@@H]2c2cccc(F)c2)oc1N1CCc2ccccc2C1 1775975577 IVDHYFAIMAQJHI-RTBURBONSA-N 359.404 4.519 30 40 FJEB Cc1ccc(CNc2oc(COc3ccccc3Cl)nc2C#N)cc1 2200636 SWDMVXBESDFVGI-UHFFFAOYSA-N 353.809 4.699 30 40 FJEB C=CCn1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 3477939 OKYCLOCLFJLFIX-UHFFFAOYSA-N 360.841 4.667 30 40 FJEB CCOc1ccc(C(=O)/C(C)=N\OC(=O)Nc2cccc(Cl)c2)cc1 4599390 ZYZPOLVMHKEMNJ-MTJSOVHGSA-N 360.797 4.546 30 40 FJEB COc1ccc(/C=N/c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)cc1 4714804 RNPGAEIPMNHEGM-HYARGMPZSA-N 372.384 4.669 30 40 FJEB CCc1cc(CC)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(CC)c1 5318247 VERNMCIJAKDCTB-UDWIEESQSA-N 370.409 4.636 30 40 FJEB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OC(C)C 10119057 QXEMSOAHBCZGDK-SSDVNMTOSA-N 367.276 4.913 30 40 FJEB COc1ccc(/C=C/C(C)=N\NC(=S)Nc2ccc(Cl)cc2)cc1 17143085 KQMTYAWBTIHDOH-PVXXHHJBSA-N 359.882 4.724 30 40 FJEB N#Cc1cc(NC(=O)c2occc2COc2ccccc2)ccc1Cl 32882485 IKLLGYCLYMTMDH-UHFFFAOYSA-N 352.777 4.636 30 40 FJEB O=C(Nc1ccccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97942926 BRYGRNWQUQXWPL-UHFFFAOYSA-N 373.602 4.747 30 40 FJEB C=CCSc1ccccc1C(=O)NCc1ccc(OCC)c(OCC)c1 219810736 ARQITJZDRGDJQI-UHFFFAOYSA-N 371.502 4.692 30 40 FJEB N#Cc1c(/N=C/c2ccc(Sc3ncccn3)o2)sc2c1CCCC2 409092200 WLWYBORTFQSCNB-SSDVNMTOSA-N 366.471 4.783 30 40 FJEB COc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2Cl)cc1OC 4673153 VXJLYMOPUXPWAT-BQYQJAHWSA-N 352.217 4.819 30 40 FJEB COC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)c1 7939549 UKTAASRPURHNMP-ZRDIBKRKSA-N 362.381 4.638 30 40 FJEB N#CC1(NC(=O)CNc2ccccc2Sc2ccccc2)CCCCC1 11619730 YSLZURWERZXOMU-UHFFFAOYSA-N 365.502 4.592 30 40 FJEB CCN1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2[C@H](C)CC1(C)C 208303487 DYZRRMABYFXMRD-LVCXCXRVSA-N 367.453 4.548 30 40 FJEB C=CCc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1OC 218658228 MJBCTFCIUVEJQR-IBGZPJMESA-N 365.473 4.764 30 40 FJEB C=CCSc1nnc(NC(=O)CCc2c(Cl)cccc2Cl)s1 225365299 SRYLYIGNAFISAV-UHFFFAOYSA-N 374.318 4.694 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1 898885 OOGRCKQMBJRBFL-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB O=C(O/N=C\c1cccc(Oc2ccccc2)c1)c1cccnc1Cl 4695343 QPRXAIJSFUSEAK-XKZIYDEJSA-N 352.777 4.718 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)c(C#N)cc2c1 4849181 MILHJYYKQDGODH-KDOFPFPSSA-N 367.518 4.510 30 40 FJEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)cc1 5551662 GXORDHRRBDBDRX-PDGQHHTCSA-N 352.459 4.594 30 40 FJEB CCOC(=O)c1cc(C#N)c(SCc2c(F)cccc2Cl)nc1C 7149673 IMQKKKFFUGFKND-UHFFFAOYSA-N 364.829 4.523 30 40 FJEB C[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O 36093464 BEZYOBCLSRXWRT-VJKAQKEDSA-N 373.481 4.694 30 40 FJEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3ccc(Cl)cc32)cc1 46084661 ZPQVHOOHXSBUHV-QOCHGBHMSA-N 372.852 4.634 30 40 FJEB CC(=O)Nc1ccc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)cc1 96998046 QCUJPUYHEOPQSA-SDQBBNPISA-N 362.212 4.611 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 408707988 UNVGBUNCWBTDCA-UHFFFAOYSA-N 356.869 4.675 30 40 FJEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(O)ccc1O 409051630 MCLNHJCFABWPAM-JMIUGGIZSA-N 359.838 4.711 30 40 FJEB CC1=NOC(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 409068640 SEQZGOYJAHXGON-PXNMLYILSA-N 362.212 4.889 30 40 FJEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cccnc1 2391892 YWWIQKHBUJDXSQ-UHFFFAOYSA-N 360.845 4.611 30 40 FJEB CN(/N=C/c1cccnc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 5003341 ZKWDZWKEAAHHEK-KOEQRZSOSA-N 365.440 4.676 30 40 FJEB CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC 7717831 OKJSHDOHMWBFLU-MDZDMXLPSA-N 361.235 4.753 30 40 FJEB CC1(C)Cc2c(C#N)c(OCc3ccccc3)nc(-c3ccco3)c2CO1 12324578 MOTVNLBMXUFHAM-UHFFFAOYSA-N 360.413 4.644 30 40 FJEB Cc1ccc(N2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 13719463 ISHNLCOGEMYNCO-JAIQZWGSSA-N 359.381 4.561 30 40 FJEB C=CCOc1ccc(C(=O)Nc2ccc(OCCC)c3ncccc23)cc1 15840949 GKRAKBOZZSBRNH-UHFFFAOYSA-N 362.429 4.841 30 40 FJEB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCCCC#N)c2C1 32666633 MYGZPSYLCZSSRH-HNNXBMFYSA-N 350.462 4.846 30 40 FJEB Cc1ccc(-c2nc(CCNc3ccc([N+](=O)[O-])cc3C#N)cs2)cc1 58173452 DSLONPGMTUYREE-UHFFFAOYSA-N 364.430 4.553 30 40 FJEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(O)cc1 409097495 MKCRVYLESOXOFY-YSURURNPSA-N 374.366 4.660 30 40 FJEB c1ccc(N/N=C(/Cc2ccnn2-c2ccccc2)c2ccccc2)cc1 4616277 CTHQEQXVMYCSKG-RWEWTDSWSA-N 352.441 4.931 30 40 FJEB CCc1ccc([C@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)cc1 4655570 XHRHCUJHPPAIHA-BXSZQUSASA-N 358.485 4.781 30 40 FJEB O=C1/C(=C/c2ccccc2F)Oc2cc(OC(=O)C3CCCCC3)ccc21 9419757 LMKAQDHVKLFWEL-NDENLUEZSA-N 366.388 4.928 30 40 FJEB N#Cc1ccccc1COc1ccccc1C=C1C(=O)c2ccccc2C1=O 408910937 MCMQNPGTXGUFDK-UHFFFAOYSA-N 365.388 4.600 30 40 FJEB N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cc2Cl)cc1 504265219 NOPAWVUHJHIMMT-JFIYKMOQSA-N 368.820 4.510 30 40 FJEB CC(C)C/N=C1/NCCCCCCOc2ccccc2Nc2ncccc21 643571822 MKDJFVXRGVAXID-UHFFFAOYSA-N 366.509 4.770 30 40 FJEB C=C(C)CSc1nnc2c3c4c(sc3nc(SC)n12)CCCC4 2427160 NNQAQTJJHNFMKP-UHFFFAOYSA-N 362.549 4.608 30 40 FJEB C=CCn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)nc2ccccc21 4033259 VPMIHRUVIHVRRZ-OAHLLOKOSA-N 365.864 4.705 30 40 FJEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8115969 DAUOAEVVLJLGFH-JTQLQIEISA-N 368.742 4.636 30 40 FJEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14783800 LRMOPPJPFDPVMX-MRXNPFEDSA-N 353.462 4.955 30 40 FJEB COc1cccc2c(Nc3ccc(Br)cc3)c(C#N)cnc12 16841278 HBLDOBQJPAFDHW-UHFFFAOYSA-N 354.207 4.621 30 40 FJEB Cc1ncc(/C(O)=N/[C@H]2CCCc3cn(C4CCCC4)nc32)c(C(C)C)n1 329310553 FUZWMMCBQJJUKA-SFHVURJKSA-N 367.497 4.602 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(F)cc1 854375 WMOBLWOSLUGWMX-PZJWPPBQSA-N 373.427 4.868 30 40 FJEB O=C(/C=C\c1ccc(/C=C\C(=O)c2ccccc2O)cc1)c1ccccc1O 4945959 GSFRPUAGDBMSNQ-VMNXYWKNSA-N 370.404 4.890 30 40 FJEB C/C(=N\NC(=S)Nc1ccc(SC(F)F)cc1)c1ccc(C)o1 6407356 KOUIWKMOGOHALA-VXLYETTFSA-N 355.435 4.613 30 40 FJEB COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(C)cc1 20762705 OXQWTXXZYWSVNX-PCLIKHOPSA-N 360.457 4.706 30 40 FJEB Cc1ccc(-c2n[nH]c(=S)n2/N=C\c2c(O)ccc3ccccc23)cc1 37501406 JRQYJPYPGWICEA-MTJSOVHGSA-N 360.442 4.657 30 40 FJEB O=C(/C=C/c1ccccc1I)c1ccccc1Cl 6552116 XKBYKHNMGPKWAG-MDZDMXLPSA-N 368.601 4.841 30 40 FJEB COc1ccc(/N=C/c2cc(C)cc(Cl)c2O)cc1Br 6825453 MTQUIHHTKPHZEE-QGMBQPNBSA-N 354.631 4.876 30 40 FJEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/C=C/N(C)C)C[C@@H]12 104227348 OZHKGIPTPIFKOA-QVXKKPLLSA-N 365.517 4.732 30 40 FJEB Cc1cc(N/N=C2\C(=O)Nc3ccc(C(C)C)cc32)ccc1Br 223729876 XDTBQQLIKBGRTG-UHFFFAOYSA-N 372.266 4.649 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)c(C)c1 408846169 IQVMIAYTJWBVSD-ZHZULCJRSA-N 373.481 4.986 30 40 FJEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)ccc1O 1441353 SYECSNXUWPMESD-OAQYLSRUSA-N 372.424 4.514 30 40 FJEB CC(C)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 24135448 GHEXAGVAICZVGU-QGZVFWFLSA-N 362.473 4.640 30 40 FJEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(C(C)C)cc3)C2=O)s1 137136061 BDJFXAWIHWCEAX-LIJALFLSSA-N 357.504 4.642 30 40 FJEB N#C[C@@]1(c2ccc(OCc3ccccc3)cc2)CCC(=O)N1c1ccccc1 987621 HPYSDJRRXDJCCD-XMMPIXPASA-N 368.436 4.811 30 40 FJEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Cl 1262307 UNHUFDQCHLKOPF-JTQLQIEISA-N 360.866 4.659 30 40 FJEB Cc1ccc(/C=N/n2c(-c3ccccc3Cl)nc3ccccc3c2=O)cc1 1575303 SJMNTQKOGGRCLI-ZVHZXABRSA-N 373.843 4.908 30 40 FJEB CCC1=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C(=O)C1=O 2077859 OEPXVACJTBHKBV-UHFFFAOYSA-N 368.436 4.972 30 40 FJEB COc1cc(/C=N/Nc2cccc(Cl)c2)ccc1OC(=O)c1ccco1 4921169 QZJWTZSWRMENNK-CIAFOILYSA-N 370.792 4.607 30 40 FJEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 8085022 AILZFELGRYIGLV-CJLVFECKSA-N 365.454 4.767 30 40 FJEB CCCOc1c(C)cc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1C 216058963 KXLMQGISRLMCGM-JJIBRWJFSA-N 370.493 4.623 30 40 FJEB C=CCSc1nnc(NC(=O)CCc2ccc(C(C)(C)C)cc2)s1 222714227 WWMISXBJPVHLKU-UHFFFAOYSA-N 361.536 4.685 30 40 FJEB CCN1c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C 223526994 LKUGWKISDBNVAE-KOUDTOEKSA-N 367.453 4.548 30 40 FJEB COc1cc(/C=C2\CCC/C(=C(/O)C(F)(F)F)C2=O)cc(Cl)c1O 408563857 QXYQQALDZVDEBD-LFKWHJGZSA-N 362.731 4.565 30 40 FJEB C#CCOc1ccc(Cl)cc1/C=C1\C(=O)N(CC(C)C)c2ccccc21 409110295 BEPFXYOWXHOGET-UYRXBGFRSA-N 365.860 4.895 30 40 FJEB Cc1ccccc1-c1nc(C#N)c(NC[C@@H](c2ccccc2)N2CCCC2)o1 1775976336 LKAKJSJMGUVOGD-NRFANRHFSA-N 372.472 4.771 30 40 FJEB COc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1Cl 803471 KQFLEUCXAOBEEL-UHFFFAOYSA-N 367.257 4.676 30 40 FJEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(C)C)cc3)S2)c1 4525068 SFELFGRJBQOFAP-XDHOZWIPSA-N 366.486 4.921 30 40 FJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 12568328 ZGIZJVGAAUXZPS-FPOVZHCZSA-N 368.860 4.968 30 40 FJEB N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1cccc(F)c1 225889114 TYWSMVIGYUXPPN-UHFFFAOYSA-N 357.841 4.934 30 40 FJEB CCOc1ccc(-n2c(SCCCC#N)nnc2-c2ccccc2)cc1 5736014 KSBSVBRAIDPRRX-UHFFFAOYSA-N 364.474 4.729 30 40 FJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118813 JPKKIGPLNZHDAC-WSDLNYQXSA-N 369.808 4.940 30 40 FJEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(OC(F)F)cc1 40139566 IHFXWVOVYVSMTP-RMKNXTFCSA-N 358.369 4.703 30 40 FJEB Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N\O)CC(C)(C)C2 100931486 RRRRBPWSYMTSLG-UUYOSTAYSA-N 369.446 4.601 30 40 FJEB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCCCCC1 225830826 IPSGWXRWVYRXSF-INIZCTEOSA-N 358.482 4.804 30 40 FJEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 409081118 OQVZGKZSSGPHKH-KGENOOAVSA-N 354.406 4.871 30 40 FJEB O=S(=O)(Oc1ccccc1/C=N/c1ccccc1)c1ccc(Cl)cc1 409216946 MOEVCJKPUIWHOP-KGENOOAVSA-N 371.845 4.858 30 40 FJEB O=C(/C=C\c1ccccc1)c1cc(C(=O)/C=C\c2ccccc2)c(O)cc1O 5957235 CAAJXTJDBCGUNB-XSYHWHKQSA-N 370.404 4.890 30 40 FJEB COc1ccc(C(=O)/C=C/c2ccc(Br)cc2F)c(OC)c1 6628314 AECXNLKSCLHXSP-XBXARRHUSA-N 365.198 4.502 30 40 FJEB Cc1cc(C)c2c(c1)/C(=N\NC(=S)Nc1ccc(Cl)cc1)CCC2 38199621 ZWMRRMUWCYPEJC-PYCFMQQDSA-N 357.910 4.984 30 40 FJEB Cc1cc(N2C[C@@H]3CC[C@@](C)(C2)C3(C)C)n2c(nc3ccccc32)c1C#N 100926510 IFNHJHCUSWQNJC-HJPURHCSSA-N 358.489 4.930 30 40 FJEB CC(C)(C)c1ccc2c(c1)[C@](O)(c1ccccc1)[C@H]1O[C@]1(C(C)(C)C)C2=O 104007628 FCPOGDZEICKPOF-AGILITTLSA-N 364.485 4.600 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)cc1 2377160 LFKIBDDZXKUQJQ-SFQUDFHCSA-N 370.861 4.987 30 40 FJEB CC[N+](CC)(CC)CC#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2557786 QVCNKWMYAGIFFD-UHFFFAOYSA-N 352.342 4.952 30 40 FJEB Clc1nc2sccn2c1/C=N/N=C(c1ccccc1)c1ccccc1 21187688 AQHQSRDTYTXKHW-FYJGNVAPSA-N 364.861 4.921 30 40 FJEB Oc1ccc(Br)cc1/C=N/Cc1cccc(C(F)(F)F)c1 57411947 GYLSTXZYNRSDHA-AWQFTUOYSA-N 358.157 4.793 30 40 FJEB Cc1ccc(N/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)cc1C 100862372 WZQAUPGOZPKFDN-LCYFTJDESA-N 353.365 4.675 30 40 FJEB C=CC/N=c1/scc(-c2ccc(C)cc2)n1/N=C/c1ccc(F)cc1F 103371473 XDYCNUOGWFOFHH-OHPFFMRYSA-N 369.440 4.772 30 40 FJEB CCOc1ccc2nc(SCC(=O)c3ccc(C)cc3)c(C#N)cc2c1 976956 NTQNYZQILXBCEZ-UHFFFAOYSA-N 362.454 4.789 30 40 FJEB O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccc(F)cc1F 1079600 REORMCGSPXGBLL-GFCCVEGCSA-N 359.397 4.554 30 40 FJEB N#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 4175420 DXYHEFZDIOKCMO-HZHRSRAPSA-N 356.813 4.942 30 40 FJEB O=C(/C=C/c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 4409863 CMTPFAPRPZDSCV-OUKQBFOZSA-N 372.380 4.743 30 40 FJEB Oc1ccc(Br)cc1/C=N/Nc1ccccc1C(F)(F)F 4934047 CEDTZMBRPRQDHP-UFWORHAWSA-N 359.145 4.620 30 40 FJEB CSc1nc(NCc2ccc(F)cc2)c(C#N)c(-c2ccc(C)cc2)n1 19820683 ZQIMGLWKWSPYKS-UHFFFAOYSA-N 364.449 4.797 30 40 FJEB O/N=C1C(=C/c2ccc(F)cc2)\CCC[C@@H]\1[C@H](NO)c1ccc(F)cc1 104283661 UXDMUBQZCGHXNL-FTQIEJLHSA-N 358.388 4.699 30 40 FJEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 224911767 LGQYYBKZVWJQSP-UHFFFAOYSA-N 360.237 4.514 30 40 FJEB CCc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)cc1 408851849 ARRDKWZPBYVMDP-HKWRFOASSA-N 373.481 4.931 30 40 FJEB CC(C)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)c(OC(C)C)c1 409393201 VOODSZHPHYVCFD-UHFFFAOYSA-N 350.414 4.724 30 40 FJEB CCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)/C=C/c2ccc(C)cc2)=C1C 12389513 ZRJUHUIBHUJWDC-FRFYRWIFSA-N 360.457 4.638 30 40 FJEB Cc1noc(C)c1CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2 12607437 VKSPXEVTRYCFLF-UHFFFAOYSA-N 365.458 4.989 30 40 FJEB CC(=O)c1ccc(/N=C2\SCCCN2C(=O)/C=C/c2cccs2)cc1 12645056 VUYZPJJDCYFCDK-OOLHVZIJSA-N 370.499 4.617 30 40 FJEB C=CCN(C(=O)c1ccccc1Br)c1nc2ccccc2s1 14232414 HWQSFPQJJMPTHG-UHFFFAOYSA-N 373.275 4.892 30 40 FJEB CCCOc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc1 15013669 KLSDDOHWDSETKI-QGOAFFKASA-N 352.459 4.675 30 40 FJEB Cc1ccc(C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)cc1[N+](=O)[O-] 16408944 XMAIOHLTRCOPIJ-BQYQJAHWSA-N 361.829 4.614 30 40 FJEB C/C(=N/n1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(C)cc1 17024204 XDEXXXDLPPIXEU-UQQQWYQISA-N 353.425 4.644 30 40 FJEB CCCCCCCCCCCCCC(=O)OCCOCC[N+](C)(C)C 100925337 RRKSAHYQPVURJI-UHFFFAOYSA-N 358.587 4.954 30 40 FJEB C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5)cc4OC)OCC[C@]3(C2)[C@@H]1C 257276874 NVMHXKLWOHDCBF-GTRAWVPRSA-N 353.506 4.975 30 40 FJEB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCCCCC#N)cc12 3441613 LSIUUKPXBPPCRF-UHFFFAOYSA-N 373.865 4.900 30 40 FJEB CCc1nnc(S)n1/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8183033 YNLUJVWUKFEIMH-QGMBQPNBSA-N 367.261 4.578 30 40 FJEB N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 8187559 JLTGZFYDGUCRRN-IENJSVCTSA-N 359.454 4.545 30 40 FJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H](C)c4ccccc4)[C@H]3C[C@H]12 12885789 YMDKUNNJPAGDDL-YHFZNZFXSA-N 353.506 4.651 30 40 FJEB biogenic COc1cccc(/C=C2/S/C(=N\c3cccc4ccccc34)NC2=O)c1 59488402 GNKYWIIYSKCCEO-CPNJWEJPSA-N 360.438 4.740 30 40 FJEB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 66088915 FZFLSHLTHQEGKP-IBGZPJMESA-N 367.489 4.632 30 40 FJEB Cc1ccc(OCc2ccc(C(=O)N(CCC#N)CC3CCC3)o2)c(C)c1 84133557 QZYYQBNBLVORRQ-UHFFFAOYSA-N 366.461 4.631 30 40 FJEB CCCCC(C)(C)[C@H](O)/C=C\[C@@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)O 111940724 MOTPSJUHMGPRFZ-CEPBGKCISA-N 362.510 4.692 30 40 FJEB C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2cccc3ccccc23)c1 216897778 IFFIMHORBYYOBY-WYMLVPIESA-N 372.420 4.617 30 40 FJEB CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC[C@H](C)C1 260818224 YCOZRJIXAJZZCC-GCKMJXCFSA-N 358.482 4.659 30 40 FJEB C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 537293136 ITYKBEMNHCULEM-DLBZAZTESA-N 370.456 4.617 30 40 FJEB C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CCc1ccccc1-3 3901863 IRDOIUHJYDULHM-UHFFFAOYSA-N 366.511 4.688 30 40 FJEB aggregator O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccccc1F 5376939 OQZOZXLPIFKLGQ-AUWJEWJLSA-N 350.777 4.510 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1OC 8371747 HXORMUXAESOOGU-UDWIEESQSA-N 358.235 4.529 30 40 FJEB C=CCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 8471658 JGSBKJUVJQNAIS-UHFFFAOYSA-N 352.261 4.857 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2ccccc2F)c2ccccn2)cc1 28286743 IZWMDORGQAVAHB-UHFFFAOYSA-N 362.404 4.633 30 40 FJEB Fc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)cc1 59417089 WXXNALDWCADTDT-YDZHTSKRSA-N 360.392 4.727 30 40 FJEB CCOc1ccc(/C(C)=N\N=c2\[nH]c(-c3ccc(C)cc3)cs2)cc1 83299545 WBIDVXGJBJFHDZ-JCMHNJIXSA-N 351.475 4.775 30 40 FJEB Cc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1Cl 113857858 WJFQMKXWZYKSMA-REZTVBANSA-N 369.602 4.775 30 40 FJEB C=CCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 245297617 UZECRIRVJZFHAY-WFDRNDOFSA-N 358.485 4.899 30 40 FJEB C=CCn1c(Cc2cccs2)nnc1SC/C=C/c1ccccc1 2196615 CJQWNSKJVCWJMG-UXBLZVDNSA-N 353.516 4.922 30 40 FJEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 3360782 IOQCWSDNTJCSIZ-UHFFFAOYSA-N 359.454 4.813 30 40 FJEB Cc1ccc(-c2ccc(/C=N/c3cccc([N+](=O)[O-])c3)o2)cc1C(=O)O 4739269 LIIVVIHLBDCYQN-RGVLZGJSSA-N 350.330 4.612 30 40 FJEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 20647144 BXQGMDSZCAECGX-HMAPJEAMSA-N 371.436 4.737 30 40 FJEB COc1cc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)ccc1O 59461361 ODHMODHQVHTDJX-HUWVGRHQSA-N 368.414 4.591 30 40 FJEB FC(F)(F)CNc1ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc1 103598116 BWTARMCOEVTMIF-UHFFFAOYSA-N 373.190 4.873 30 40 FJEB CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 706959 OUHDLXKOUQGJER-UHFFFAOYSA-N 354.475 4.639 30 40 FJEB Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 3323457 KXGQDPKMVGNQIU-UHFFFAOYSA-N 362.502 4.944 30 40 FJEB CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CCN3CCCCCC3)CC[C@H]21 4027787 UWQHCHABBAIPPF-KIFXHHALSA-N 367.533 4.963 30 40 FJEB N#CCCCSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 4365535 ZMKJWMKHRUSGBH-UHFFFAOYSA-N 373.840 4.574 30 40 FJEB CCN(CCC#N)c1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(C)c1 8394150 CSNWXQARPSUZFV-XDHOZWIPSA-N 365.864 4.881 30 40 FJEB COc1ccc(/C=N/c2oc(-c3ccc(OC)cc3)nc2SC)cc1 17005505 KMWZHFMNOMQDGT-UDWIEESQSA-N 354.431 4.831 30 40 FJEB 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COc1ccccc1/N=C/c1cccn1-c1cccc(Br)c1 409015025 RJDMNWRVJRXGNU-DEDYPNTBSA-N 355.235 4.999 30 40 FJEB N#C[C@@H](C(=O)c1ccc2c(c1)CCC=C2)c1nc(-c2ccncc2)cs1 573907132 WGALRLTVPCHOJV-SFHVURJKSA-N 357.438 4.655 30 40 FJEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC 888075697 KIQQMECNKUGGKA-RSFSFSNISA-N 369.505 4.715 30 40 FJEB C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2ccccc2C)cc1 1434841 DIGSZGMWEQXQPA-UHFFFAOYSA-N 366.486 4.585 30 40 FJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 2063654 MPHPZHUOAFGYAJ-IBGZPJMESA-N 373.880 4.651 30 40 FJEB C=CC[C@@H]1Cc2c(Br)ccc(Br)c2[C@@H](CC=C)N1 19860595 PWYXIEYQBHGUIV-QMTHXVAHSA-N 371.116 4.919 30 40 FJEB N#CC1(c2ccccc2)CCC(NC2CCN(Cc3ccccc3)CC2)CC1 23703118 JLULSGNZFPXTMB-UHFFFAOYSA-N 373.544 4.645 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1cc(OC)c(Cl)cc1OC 219808944 LOGCNSSTMFRNBH-UHFFFAOYSA-N 363.866 4.888 30 40 FJEB O=C(NCc1ccco1)c1c(/N=C\c2ccccc2)sc2c1CCCC2 408858303 YDHNYFLNTKODQG-QRVIBDJDSA-N 364.470 4.901 30 40 FJEB O=C(/C=C/Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2ccccc2)cc1 409178585 MZIASENKQYYGPO-OUKQBFOZSA-N 359.381 4.566 30 40 FJEB Cc1ccc(-n2c(C)cc(/C=N/N=c3/[nH]c4ccccc4s3)c2C)cc1 1851511 AMRZXLMPNNFKNK-LPYMAVHISA-N 360.486 4.880 30 40 FJEB COc1ccc(OC)c(C(=O)/C=C/c2cc(Br)ccc2F)c1 13137370 FIXGKDBWRIHSES-XVNBXDOJSA-N 365.198 4.502 30 40 FJEB Oc1ccc(/C=N/N=c2\[nH]c(-c3ccc(Cl)cc3Cl)cs2)cc1 13583576 XBRVBEUXFJQGIS-UFWORHAWSA-N 364.257 4.690 30 40 FJEB CCCn1c(C)c(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 20196658 PIZFZQKFHKDPKE-BUVRLJJBSA-N 365.477 4.501 30 40 FJEB COc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1 59461347 YEGPUHDBIISOIX-LNSJNNGNSA-N 352.415 4.886 30 40 FJEB C/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)o1 102960214 WFHFGXCWRFPIBY-AJHYVYAYSA-N 366.273 4.838 30 40 FJEB CCCCCCCCCCCC(=O)Oc1ccc(S(=O)(=O)O)cc1 113240775 CAERUOHSFJZTJD-UHFFFAOYSA-N 356.484 4.760 30 40 FJEB N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1ccccc1F 225889091 JKGOKCQVCXOZEL-UHFFFAOYSA-N 357.841 4.934 30 40 FJEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1 408915475 VWNBSVPDRZXEFK-YDZHTSKRSA-N 362.429 4.860 30 40 FJEB Oc1cccc(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1 1083811074 SXRMSVMVEYUBEI-UHFFFAOYSA-N 356.184 4.834 30 40 FJEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3ccccc3)S2)cc1 4688144 ARQNCERYCFLVOW-XMHGGMMESA-N 359.454 4.677 30 40 FJEB CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCC 4832386 CYOZVBIZJQSWPJ-VMPITWQZSA-N 368.429 4.541 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2ccc(C)cc2)Cc2ccco2)cc1 6810683 UNTOQGHEDAEYJE-UHFFFAOYSA-N 361.441 4.995 30 40 FJEB CCC(CC)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 14162801 VHCRVODFHJOOTL-UHFFFAOYSA-N 367.518 4.553 30 40 FJEB COc1ccc(/C=N/CCCCCC/N=C/c2ccc(OC)cc2)cc1 18061274 SFJWQGWNZNTHEP-GJHDBBOXSA-N 352.478 4.802 30 40 FJEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc2ccccc2c1 225042735 TXXGYQYVOOMIMV-UHFFFAOYSA-N 351.471 4.838 30 40 FJEB CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@@H](C)C1 225832594 FAJAIBHLIWGGNX-IERDGZPVSA-N 358.482 4.517 30 40 FJEB CC[C@H](C)c1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409242560 OOLDWDOAMAYTKV-RJSXDPMQSA-N 355.434 4.811 30 40 FJEB Cc1cccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1 4849078 LEOPSLTYHHHBOI-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CC1(C)CC(=O)C=C(Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 14067105 TXMBTNYSOQKIIC-UHFFFAOYSA-N 352.409 4.763 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@@H]2c1ccc(Cl)cc1 18244351 DKKGFEVSGMVPOR-GOSISDBHSA-N 353.853 4.957 30 40 FJEB Cc1cc(N/N=C\c2cccc3ccccc23)c2cc3c(cc2n1)OCO3 31769279 JHOUTUHUTPZCOR-FMCGGJTJSA-N 355.397 4.871 30 40 FJEB Cc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)o1 35646951 XOQDJGCORUIDDD-GHXNOFRVSA-N 353.230 4.786 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)N[C@H](C)c1ccccc1 98001689 DSFYJDZCWCGGMB-LJQANCHMSA-N 360.542 4.901 30 40 FJEB biogenic Cc1nn(-c2ccccc2)c(C)c1/C=N\Nc1ccc(Br)cc1 408996464 PGCNAFVOZJQGHO-NDENLUEZSA-N 369.266 4.698 30 40 FJEB Cc1oc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)c(C#N)c1C 409392549 QLXAPTNMUBCHHC-UHFFFAOYSA-N 370.408 4.638 30 40 FJEB Cc1cc2nc3c(C#N)cc4c(C)nn(-c5ccc(F)cc5)c4n3c2cc1C 3304739 DIVMQSRLOAZGSC-UHFFFAOYSA-N 369.403 4.762 30 40 FJEB CCc1cccc(C)c1NC(=O)CO/N=C(\C)c1cc2ccccc2o1 6619899 YAQGREMXDQYLBQ-HZHRSRAPSA-N 350.418 4.683 30 40 FJEB CCn1c2ccccc2c2cc(/N=C3\C(=O)N(C)c4ccccc43)ccc21 17425364 BROGKPBGBFHTDH-GYHWCHFESA-N 353.425 4.912 30 40 FJEB COc1ccc(C2=C(NCc3ccc(C)cc3)c3ccccc3C2=O)cc1 20367336 RPZJLSILOJGKSE-UHFFFAOYSA-N 355.437 4.858 30 40 FJEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cccs1)C2=O 20650090 OAOBCCGIETXUFT-PDGQHHTCSA-N 357.475 4.692 30 40 FJEB CN(C)C1(CNc2oc(-c3ccc(Cl)cc3)nc2C#N)CCCCC1 35673305 MOHWJHQZQXMXNC-UHFFFAOYSA-N 358.873 4.543 30 40 FJEB O=C(CCc1c[nH]c2ccccc12)N1CCCS/C1=N\c1ccccc1 58160508 CWHRERZGYDSWMN-LNVKXUELSA-N 363.486 4.754 30 40 FJEB CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)cc1 408605871 ZAOCJGSMXSOMMW-LPYMAVHISA-N 353.491 4.537 30 40 FJEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N1CC 408783039 MLIWQOGRERGUFQ-DPBNUBQISA-N 367.518 4.715 30 40 FJEB COc1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1Cl 409106023 KLCYEFAGRWNGCP-CIAFOILYSA-N 354.793 4.588 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 1815051 IMZFQMQJCCAVTJ-BOPFTXTBSA-N 371.458 4.796 30 40 FJEB O=C(Nc1ccc(F)cc1F)C(F)(F)Oc1cccc(C(F)(F)F)c1 3116995 AJWWYUOVCQYKTR-UHFFFAOYSA-N 367.220 4.594 30 40 FJEB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1)C1=C(CCCC1=O)N2 4965688 XNLSHOOMKDKQQS-NRFANRHFSA-N 373.431 4.884 30 40 FJEB N#Cc1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CCCCC2 6552699 VBYHWRARNUAFKO-UHFFFAOYSA-N 362.857 4.862 30 40 FJEB CCOc1cc(C#N)ccc1OCc1cc2ccc(OC)cc2nc1Cl 6882399 KQSMAOVBHHOYIS-UHFFFAOYSA-N 368.820 4.746 30 40 FJEB Cc1ccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2)cc1 12526932 OXFLSJCQVSBWRZ-UHFFFAOYSA-N 369.453 4.661 30 40 FJEB COc1cccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)c1O 59461336 MSRFKKQYYFGFHH-BFVXURAPSA-N 368.414 4.591 30 40 FJEB CCOc1ccccc1/C=C1/S/C(=N/c2ccc(C)cc2)N(C)C1=O 100233628 HQCQBCUUOKQJFW-KXNKKEQVSA-N 352.459 4.628 30 40 FJEB Cc1n[nH]c(C)c1Sc1ccccc1/N=C\c1ccccc1[N+](=O)[O-] 100505561 FJJGLMWOIFNPSV-ODLFYWEKSA-N 352.419 4.837 30 40 FJEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224712282 DKMLMMMNLPQHGS-UHFFFAOYSA-N 360.237 4.514 30 40 FJEB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@@H](C)C1 225855408 AIOPKCIUQVFBCL-VGSWGCGISA-N 372.509 4.907 30 40 FJEB CC1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2Cl)CC1 408629267 TWZSOGVWQZNOOR-UHFFFAOYSA-N 371.843 4.839 30 40 FJEB COc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1 409214438 XKXXGBPAABAJLA-UCQKPKSFSA-N 361.397 4.723 30 40 FJEB Clc1ccc(N2CCN(/N=C\c3ccc(Cl)c(Cl)c3)CC2)cc1 4562516 OJSYIXQGQVYNGX-MTJSOVHGSA-N 368.695 4.803 30 40 FJEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccccc1 5888669 NHGKSPUVEUWDDC-HXUWFJFHSA-N 373.383 4.609 30 40 FJEB CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccccc2)C1=O 8431884 APHXWUGISRXJSA-FQEVSTJZSA-N 358.526 4.829 30 40 FJEB C=CCn1c(S[C@H](C)C(=O)c2ccc(F)cc2)nnc1-c1ccoc1C 9495055 HKLVUPSOBMJWMH-CYBMUJFWSA-N 371.437 4.535 30 40 FJEB C[C@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 28795110 CGHUUAIDLXULPI-ZDUSSCGKSA-N 353.853 4.530 30 40 FJEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(CC(=O)O)cc3)c2C)cc1 408692947 ZABSWWFNKSQLDD-JLHYYAGUSA-N 373.452 4.926 30 40 FJEB O=C(O)c1ccc(/N=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 408914558 QQYQUJDPTWSKIV-JMIUGGIZSA-N 370.748 4.957 30 40 FJEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(Br)cc1)C2 652032 VXYHEEIGJJGNHL-WQUXGXPASA-N 350.256 4.808 30 40 FJEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2-c2ccccc2)n1 878212 JWZZYKZBNYUBPI-UHFFFAOYSA-N 373.481 4.968 30 40 FJEB Clc1ccccc1Cn1cccc1/C=N/N=c1/[nH]c2ccccc2s1 1264775 ZIOIARIGPDWTAP-CIAFOILYSA-N 366.877 4.667 30 40 FJEB CC(=O)c1cc(C#N)c(SCc2cccc(C(F)(F)F)c2)nc1C 1387453 AVPLDMNXVGRQLB-UHFFFAOYSA-N 350.365 4.775 30 40 FJEB CC1(C)CC(=C2C(=O)c3ccccc3C2=O)C=C2c3ccccc3C(=O)[C@@H]21 3214418 BPLSYFNHQPSVIQ-HXUWFJFHSA-N 354.405 4.688 30 40 FJEB CCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O 6636394 KFGYIMDRBXRGCJ-REYLQNMUSA-N 371.531 4.691 30 40 FJEB Cc1c(C(=O)c2cccc(C(F)(F)F)c2)c2ccccn2c1CCC#N 6848404 APVUFUZLKKRGPA-UHFFFAOYSA-N 356.347 4.954 30 40 FJEB CCOc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O 8993436 AXPMHTWJQURYMX-UFFVCSGVSA-N 363.413 4.685 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1 19418580 VNGGAUYXDIBGDU-UHFFFAOYSA-N 367.464 4.799 30 40 FJEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224580954 WYZRKOTWPYIXHW-UHFFFAOYSA-N 359.491 4.590 30 40 FJEB C=CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCC 408533896 SWZFTHIILHUQDC-UHFFFAOYSA-N 365.351 4.921 30 40 FJEB CC(C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1Br 408597438 ZODBPOCPTURTDQ-SRZZPIQSSA-N 373.250 4.659 30 40 FJEB CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1c(C)cccc1C 408905943 GLUZGXRHDDTNLS-MSYUKONTSA-N 352.459 4.633 30 40 FJEB CCOc1ccccc1/C=C1/S/C(=N/c2ccc(F)cc2)N(CC)C1=O 409230717 FRJXISGRLWOTFQ-OUUNKBNMSA-N 370.449 4.848 30 40 FJEB C=C(C)Cn1c(SCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 680170 MZKJLGOBVKKWCL-UHFFFAOYSA-N 366.530 4.966 30 40 FJEB biogenic Cc1ccc(C)c2nc(SCC(=O)OCc3ccccc3)c(C#N)cc12 1354323 BEFJSOXOBZXXIO-UHFFFAOYSA-N 362.454 4.559 30 40 FJEB COc1ccc(-n2cnc3cc(/N=C/c4ccc(N(C)C)cc4)ccc32)cc1 1501223 SLRDJIYLTKSEQQ-BUVRLJJBSA-N 370.456 4.851 30 40 FJEB C[C@@H](Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1)C(=O)O 6649452 DPWJOTSLCGSWAB-FZPLPXEFSA-N 365.212 4.741 30 40 FJEB N#Cc1c(NC(=O)c2cc3ccccc3c(Cl)n2)sc2c1CCC2 75488363 JZQAKNRPINRUSK-UHFFFAOYSA-N 353.834 4.562 30 40 FJEB N#Cc1c(Cl)nsc1N[C@@H]1CCCc2cc(OC(F)F)ccc21 84490038 CYONGOYSASQDCW-GFCCVEGCSA-N 355.797 4.759 30 40 FJEB C[C@H](NC(=O)Nc1cccc(C2SCCS2)c1)c1ccc(C#N)cc1 84651519 DPPBGOZSKNIBSU-ZDUSSCGKSA-N 369.515 4.920 30 40 FJEB O=C(c1cccc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101471886 JQFYAKBKEMELDT-UHFFFAOYSA-N 358.587 4.991 30 40 FJEB C#CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 216814440 AJYJOJVCDFWOBI-UHFFFAOYSA-N 353.176 4.502 30 40 FJEB Cc1cccc(OCCn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)c1 225861995 NKYLSVLROLEJEK-UHFFFAOYSA-N 365.864 4.574 30 40 FJEB Cc1cc(Br)c(O)c(/C=N/c2ccccc2N2CCCC2)c1 1098781 QLDNNLFIKFSHTP-UDWIEESQSA-N 359.267 4.814 30 40 FJEB C=C(C)COc1ccc(-c2ncncc2Oc2ccccc2OC)c(O)c1 5573427 YLWWZUZXMKAEGZ-UHFFFAOYSA-N 364.401 4.605 30 40 FJEB N#Cc1ccc(-c2cccs2)nc1S[C@@H](C(=O)O)c1ccccc1 6393134 RRIQKXMTLLMOJH-MRXNPFEDSA-N 352.440 4.600 30 40 FJEB CC(C)(C)c1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 12381698 WOBOQOBAWLSSHX-JLPGSUDCSA-N 369.940 4.789 30 40 FJEB Cc1ns/c(=N\C(=N/c2ccccc2)c2ccccc2)n1-c1ccccc1 17994125 SCPUGCLDMPNDGZ-SXAUZNKPSA-N 370.481 4.921 30 40 FJEB CN(CCC#N)c1ccc(CNC(c2ccccc2)c2ccccc2)cc1 25260255 KDUNWFSNMFZMGW-UHFFFAOYSA-N 355.485 4.916 30 40 FJEB Oc1ccc(Br)cc1/C=N/c1cccc(OC(F)(F)F)c1 44835863 UTOMIHTYYYZSGQ-UFWORHAWSA-N 360.129 4.804 30 40 FJEB COc1cccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)c1 59461354 HTNUXXRIFPECBX-XENGFHBVSA-N 352.415 4.886 30 40 FJEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(O)c2)C(=O)N1CC 408916127 VBEOUVAIEYWNIP-BIXZQSIESA-N 352.459 4.579 30 40 FJEB COc1ccc(Cl)cc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409105526 KTEQLZQYPUIBHQ-DNTJNYDQSA-N 373.718 4.722 30 40 FJEB COc1cc(OC)c(/C=N/c2ccc(C)c(F)c2)cc1Br 831652 JPJKSBFEYMZMNL-DJKKODMXSA-N 352.203 4.664 30 40 FJEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])o3)cc2)c(C)c1 1421710 QXXZYVLIECCRKL-CIAFOILYSA-N 364.357 4.774 30 40 FJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@@]21C 1673596 DKDMFHJMQAAUII-MBTFPLFFSA-N 362.485 4.788 30 40 FJEB biogenic C(=N/c1ccc(-c2nnc3n2CCCCC3)cc1)\c1c[nH]c2ccccc12 3240068 RVFDKPYBXCUGLN-OEAKJJBVSA-N 355.445 4.903 30 40 FJEB O=[N+]([O-])c1cccc(Cl)c1NCCC/N=C/c1cc(Cl)ccc1O 4695951 SQEMBJNLNJSVAQ-VXLYETTFSA-N 368.220 4.528 30 40 FJEB Cc1cn(-c2ccccc2)c(C)c1/C=C1\S/C(=N/c2ccccc2)NC1=O 4798177 AWFYIEAFZVBLHM-MOSHPQCFSA-N 373.481 4.986 30 40 FJEB Cc1ccc([C@H](CC(=O)O)/N=C(\O)c2ccccc2C(F)(F)F)cc1 13178535 FAEYBJKHXOSSSH-HNNXBMFYSA-N 351.324 4.534 30 40 FJEB CCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1OC 31854379 QUEHJTCXGNWHRU-NDENLUEZSA-N 353.447 4.663 30 40 FJEB N#Cc1ccsc1NC(=O)CCCCc1ccc(Br)cc1 48362912 SYZOLSLPYXYBQZ-UHFFFAOYSA-N 363.280 4.734 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1Cl 219807302 VUCSGKJKZAUGLX-UHFFFAOYSA-N 361.850 4.657 30 40 FJEB C=CCOc1ccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)cc1 225705023 XPPKJDRPZPGIMO-FQEVSTJZSA-N 368.502 4.624 30 40 FJEB N#Cc1cn(C(=O)c2cc(Br)ccc2Cl)c2ccccc12 226361473 DFEOIXMNMWSUQX-UHFFFAOYSA-N 359.610 4.617 30 40 FJEB Ic1cccc(/N=C\c2cccn2-c2ccccc2)c1 408852107 CEONFEOKPJPRIV-UYRXBGFRSA-N 372.209 4.833 30 40 FJEB CC[C@H](C)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1 409018590 XGJQEOMNGRIXGG-RJSXDPMQSA-N 355.434 4.811 30 40 FJEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccccn1)CCCC3 2266616 KRITUNIJFLXUPH-UFFVCSGVSA-N 371.234 4.925 30 40 FJEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 4036939 RWUPOOKIXCYLDW-NRFANRHFSA-N 370.408 4.528 30 40 FJEB CCc1ccc(/C=N/n2cnc3scc(-c4ccccc4)c3c2=O)cc1 6398678 PFKWVCUFDPSJIO-FSJBWODESA-N 359.454 4.570 30 40 FJEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1cccs1 13777902 UQTBCVRHRSCGMH-YVLHZVERSA-N 366.369 4.723 30 40 FJEB CCO/C=N/c1c(C(=O)OCC)sc2nc(CC)c3c(c12)CCCC3 20100323 DCMXVHCZWDCVKD-RGVLZGJSSA-N 360.479 4.611 30 40 FJEB C=CCN(CC=C)C(=O)c1ccc2sc3nc4ccccc4nc3c2c1 33780269 XZNJQANCSBZFRW-UHFFFAOYSA-N 359.454 4.812 30 40 FJEB C=CCSc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 223628942 FZQARZZFWGFCFT-UHFFFAOYSA-N 363.482 4.927 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225113288 DNIXJLZPPMWUGX-UHFFFAOYSA-N 370.499 4.613 30 40 FJEB COc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)c(OC)c1 408723284 SPTGYBRBALRHFR-CIAFOILYSA-N 350.443 4.677 30 40 FJEB N#C[C@@]1(C(=O)c2ccccc2)C=Cc2ccccc2N1C(=O)c1ccccc1 1705913 PVIDKUKEDKGIPA-XMMPIXPASA-N 364.404 4.505 30 40 FJEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccccc1OCc1ccccc1 4023173 TYWWUXORZPJQEN-ZRDIBKRKSA-N 372.420 4.933 30 40 FJEB biogenic C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CO 4043356 USJUZEYYTPWSSZ-BZNRXQDOSA-N 360.494 4.656 30 40 FJEB biogenic CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(F)cc1 4663973 MOANQVTXHRMDDM-IBGZPJMESA-N 373.427 4.763 30 40 FJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(CC)cc1 4918823 SVVGENASNDJHSL-XLIONFOSSA-N 354.471 4.630 30 40 FJEB Cc1ccsc1[C@H]1C2=C(CCCC2=O)Nc2c1c(C)nn2C(C)(C)C 5411798 OYJMFJNTZGVQHY-QGZVFWFLSA-N 355.507 4.881 30 40 FJEB C=CCO/N=C(\CCC)C1=C(OC)C[C@H](C[C@H](C)SCC)CC1=O 5417231 UQZVHDPICKDZDC-CGJDATGVSA-N 353.528 4.756 30 40 FJEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(C(C)(C)C)cc1 8267848 XCDRXCHFSOTPCT-QETBKQIWSA-N 367.445 4.725 30 40 FJEB CN1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 12604643 BNQZONUOANLYOV-VRNBXGKJSA-N 358.268 4.975 30 40 FJEB Cc1noc2c1[C@@H](c1ccccc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 13655813 OGILBNNCZIBGHL-IIBYNOLFSA-N 372.424 4.647 30 40 FJEB CCNC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2ccc(Cl)cc2)S1 26896856 VFBSIEKYWFEUHL-QGZVFWFLSA-N 371.889 4.791 30 40 FJEB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@H](C)C1 225855202 PISWEQCHYDRZAG-KKSFZXQISA-N 358.482 4.659 30 40 FJEB CC/N=C1/S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CC 408930071 RRWNQEXRRREWNS-YYUDZJCFSA-N 360.866 4.912 30 40 FJEB CCn1c(C)c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409038646 PWWXAIJLAZZNLY-LIMNOBDPSA-N 369.284 4.684 30 40 FJEB COc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1OC 1435435 YRSAJRYFCGXBQU-QGMBQPNBSA-N 370.630 4.576 30 40 FJEB Cc1sc(NC(=O)CSc2nc3ccccc3s2)c(C#N)c1C 4665097 GCGGIXIYNVCRAF-UHFFFAOYSA-N 359.501 4.577 30 40 FJEB CCNc1c(/N=C(\O)Nc2cccc(Cl)c2)c(=O)oc2ccccc12 28048745 GXZFOTQUMUCMOE-UHFFFAOYSA-N 357.797 4.536 30 40 FJEB O=S(=O)(Oc1ccc(/C=N/c2ccccc2)cc1)c1ccc(Cl)cc1 409199400 CWOZKRDMYAPEKC-KGENOOAVSA-N 371.845 4.858 30 40 FJEB CC[C@@H](C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083806999 NLBLPHYMYZAQRJ-RXMQYKEDSA-N 356.175 4.905 30 40 FJEB Brc1ccc(-c2ccc(/C=N/N=C3/CCCCCN3)o2)cc1 3198035 CZESFMGWHHQIPT-UDWIEESQSA-N 360.255 4.605 30 40 FJEB C(=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)\c1ccncc1 4808784 WDXLMIUMFDJQBN-LFVJCYFKSA-N 351.413 4.652 30 40 FJEB Cc1ccc(C)c(-c2csc(N/N=C/c3cccc([N+](=O)[O-])c3)n2)c1 4957159 GEKOKUKHCYYFKZ-VXLYETTFSA-N 352.419 4.781 30 40 FJEB Cc1cc(-c2ccccc2)nc(OCC(=O)c2ccc(Cl)cc2)c1C#N 12968546 BJEIFWXYODYPJN-UHFFFAOYSA-N 362.816 4.844 30 40 FJEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)c1cc3c(cc1N2)OCO3 18196732 MSRPFEOWXQECKG-IBGZPJMESA-N 353.805 4.633 30 40 FJEB C#Cc1cccc(NC(=O)/C=C/c2ccccc2OCc2csc(C)n2)c1 23010245 NPQGLUIQFTTZOA-VAWYXSNFSA-N 374.465 4.664 30 40 FJEB N#Cc1ccsc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 26364592 YINFARCCPUEJEK-UHFFFAOYSA-N 359.863 4.578 30 40 FJEB Cc1cccc(/C=C2/SC(N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)=NC2=O)c1 100537440 KIKZTEFIKRIYPY-CGIVXDIKSA-N 367.518 4.757 30 40 FJEB CCCC/N=c1/scc(-c2ccco2)n1/N=C/c1c[nH]c2ccccc12 103460899 RWYFWFNNRKAWEU-YPAISQQDSA-N 364.474 4.874 30 40 FJEB CCCOC1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC(C)CC1 225856968 UGWOAWZYAZNPDE-UHFFFAOYSA-N 358.482 4.659 30 40 FJEB Cc1c(-c2ccc(C(=O)n3cc(C#N)c4ccccc43)o2)cccc1[N+](=O)[O-] 226361879 HXBHLWPDJMUMHV-UHFFFAOYSA-N 371.352 4.678 30 40 FJEB COC(=O)c1sc(NC(=O)C2CCC(C(C)(C)C)CC2)c(C#N)c1C 668875 ZUDRTLSGZMUHSA-UHFFFAOYSA-N 362.495 4.506 30 40 FJEB CCc1ccc(NC(=O)[C@H](C)O/N=C/c2ccc(C(C)(C)C)cc2)cc1 5752707 HLKGELICHQCPIE-PFRBSUFTSA-N 352.478 4.924 30 40 FJEB CCCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2)C1=O 36093493 WLIWPBVCFXANCQ-JQHRZMLTSA-N 365.502 4.711 30 40 FJEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)cc1C 59302321 GKUCQQBYCFTVQP-ZHZULCJRSA-N 373.481 4.986 30 40 FJEB Cc1ccc(N(CCC#N)C(=O)Cc2ccc(Br)cc2)cc1C 98078952 JMMQYEHVBYBWCF-UHFFFAOYSA-N 371.278 4.555 30 40 FJEB CCOC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@H](C)C2 100553381 IJZIORKAHWSXBC-KOUDTOEKSA-N 370.518 4.866 30 40 FJEB CC(/C=C\c1ccccc1)=N/NC(=S)N/N=C(C)\C=C/c1ccccc1 104312590 HUYRYEFQLRCGGD-XCAAAYKWSA-N 362.502 4.629 30 40 FJEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1Cl 409239179 OSHMORXVOBSEOE-MTJSOVHGSA-N 365.260 4.589 30 40 FJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)O)cc2)cc1OC 409377617 ISPCGCZWJJAVTC-KIHMUJGBSA-N 361.825 4.975 30 40 FJEB C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)NC1CC1 13687095 CUXXEEFXONEWLN-HXUWFJFHSA-N 370.518 4.835 30 40 FJEB CSc1ccc(/C=C2/CNC/C(=C/c3ccc(SC)cc3)C2=O)cc1 16952821 YFMYNOUCTKNNOG-WHYMJUELSA-N 367.539 4.770 30 40 FJEB N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccn1 41482022 OMSVNTNNSXISTQ-LJQANCHMSA-N 365.392 4.894 30 40 FJEB Cc1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408721965 BSQQBPQQUSNNEH-LNVKXUELSA-N 374.396 4.707 30 40 FJEB CCc1ccc(-n2c(C)cc(/C=N/Cc3ccc(C(=O)O)cc3)c2C)cc1 408762285 DMYADUWWZUOQHL-BUVRLJJBSA-N 360.457 4.974 30 40 FJEB COc1cc(C2(C#N)CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 708277216 CKPJOZOYIFCUGU-UHFFFAOYSA-N 352.390 4.518 30 40 FJEB C=CCn1c(SCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 797594 DVLUXZMYHIBGQY-UHFFFAOYSA-N 354.500 4.522 30 40 FJEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(OC)c2C#N)cc1 1103455 SNYIOTXJWRQZMV-UHFFFAOYSA-N 350.805 4.958 30 40 FJEB C[C@H]1CCc2c(sc3ncnc(SCc4ccccc4C#N)c23)C1 2633610 JAUTVWRWPXFSNI-LBPRGKRZSA-N 351.500 4.980 30 40 FJEB O=C1ON(c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 4946170 DFVAZIHCZQJIBG-IBGZPJMESA-N 361.357 4.672 30 40 FJEB CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 5309060 IFYXKEJDRFSGNX-UHFFFAOYSA-N 354.866 4.782 30 40 FJEB N#Cc1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1 7989560 IQSUWFFFORAOTL-UHFFFAOYSA-N 350.422 4.583 30 40 FJEB Cc1ccc(/N=C2\C(=O)N(CN(C)Cc3ccccc3)c3ccccc32)cc1 13778958 KGNYKBXUDHXVCO-BZZOAKBMSA-N 369.468 4.552 30 40 FJEB CN(C)[C@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1cccs1 27793369 AKVGXCSOELJPMS-OAHLLOKOSA-N 372.881 4.643 30 40 FJEB COc1ccc2cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)[nH]c2c1 83970261 CJFOEMYNBUYEMH-INIZCTEOSA-N 373.437 4.790 30 40 FJEB CC(/C=C\c1ccccc1)=N/NC(=S)N/N=C(C)/C=C\c1ccccc1 104312585 HUYRYEFQLRCGGD-TUTGEMHWSA-N 362.502 4.629 30 40 FJEB CCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCCCCC1 225830861 XAOOTNXVYXHRMW-UHFFFAOYSA-N 358.482 4.661 30 40 FJEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)N1C 408930392 WKISGHAISVGEJY-DOGHIQQUSA-N 367.518 4.749 30 40 FJEB Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 409216426 LAXNXDPMGNQOSN-QNGOZBTKSA-N 351.427 4.513 30 40 FJEB N#Cc1ccc(Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1C#N 992029 WAIFBKLJRTWLGN-UHFFFAOYSA-N 354.365 4.579 30 40 FJEB O=C(O)c1ccc(/C=N/c2ccc(/N=C/c3ccc(C(=O)O)cc3)cc2)cc1 3099682 HQPAOBCJNSLNEW-RNIAWFEPSA-N 372.380 4.584 30 40 FJEB Oc1c(Cl)cc(Cl)cc1/C=N/Nc1c(F)c(F)c(F)c(F)c1F 4836780 QQPVGLGJEJOYIY-WSVFEZOKSA-N 371.092 4.841 30 40 FJEB CC(=O)/C(=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OC(C)C 5002960 VXSUPRZVNANTEZ-YBEGLDIGSA-N 360.494 4.911 30 40 FJEB O=[N+]([O-])c1ccc(CO/N=C(\c2ccccn2)[C@@H]2C[C@H]2c2ccccc2)cc1 5684712 CGFJLRZHILVUBX-VARNECKGSA-N 373.412 4.714 30 40 FJEB ClC(=C\c1ccccc1)/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 19849084 BDPSNXCQQWFUHW-PDIADDBYSA-N 374.315 4.723 30 40 FJEB Cc1cc(C(=O)O)ccc1N/C=C/C(=O)c1ccc(Cl)cc1Cl 409182083 IONJCRGUTCWXCD-VOTSOKGWSA-N 350.201 4.809 30 40 FJEB CCOC(=O)c1c(/N=C/c2cccc(OCC)c2O)sc2c1CCCC2 910319 PLLOCNRXMGGHJS-CIAFOILYSA-N 373.474 4.659 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)c(C#N)cc2c1 4849179 MILHJYYKQDGODH-KSSFIOAISA-N 367.518 4.510 30 40 FJEB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 4965686 XNLSHOOMKDKQQS-OAQYLSRUSA-N 373.431 4.884 30 40 FJEB Cc1ccc(C)c(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 8368165 ZKSFEWAAKWJZPD-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB CCN(CC)c1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1 13639983 URLHBHOHIWKGAE-JOCHJYFZSA-N 374.488 4.760 30 40 FJEB C=CCOc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 15832518 ZAXCTNCPMHGDMJ-UHFFFAOYSA-N 364.470 4.613 30 40 FJEB C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C\c1ccc(OC)cc1 33389030 NQHCYDZOEATWIE-HAHDFKILSA-N 358.445 4.635 30 40 FJEB COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)c1 59462028 WOFQLOHLZZYEBR-FSJBWODESA-N 364.367 4.770 30 40 FJEB COc1ccc(CO/N=C/c2ccc(OC(F)F)c(OC)c2)cc1Cl 89457484 NZZJHXVQRMIHCI-ZVBGSRNCSA-N 371.767 4.509 30 40 FJEB O=C1C(O)=C/C(=N\c2ccc(CCc3cccnc3)cc2)c2ccccc21 100461253 IMGJDBIVXIHOGT-NJNXFGOHSA-N 354.409 4.626 30 40 FJEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 214251772 NKFYXPLOUPXUQT-LDADJPATSA-N 369.417 4.627 30 40 FJEB CCOc1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1 408850762 DXEMXZRZLKMJSN-UNOMPAQXSA-N 363.255 4.792 30 40 FJEB C[C@H]1CCC/C(=C/Nc2ccc(Br)cc2Br)C1=O 409182322 KOPJPAZNBDNYMQ-CUQRQBARSA-N 373.088 4.897 30 40 FJEB Cc1ccc(C)c2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc12 1223968 ZKQDSLCESQBDJF-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 8316597 PSYNVKFHFUGDDA-KRWDZBQOSA-N 360.482 4.893 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc2cc1C 34791563 CEHPFOGCRPNQCO-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB COc1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 409372048 OCEXUPUNLYPSCV-SDNWHVSQSA-N 361.353 4.686 30 40 FJEB N#CCCC(CCC#N)(CCC#N)C(=O)c1ccc(Br)cc1 1676308 MQGITUNIRPTAGA-UHFFFAOYSA-N 358.239 4.530 30 40 FJEB O/C(=N\C1CC1)[C@@H](Sc1ccc2c(c1)OCCCO2)c1ccc(F)cc1 12255705 BHPKWMOMBFTRNP-IBGZPJMESA-N 373.449 4.939 30 40 FJEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc(Cl)cc1 13776459 KMOYABRZGLKXMA-UHFFFAOYSA-N 372.275 4.579 30 40 FJEB O=C(/C=C/c1cnc(N2CCCC2)nc1)c1ccc(-c2ccccc2)cc1 32831784 GVQJJMXIVLIDPQ-MDWZMJQESA-N 355.441 4.640 30 40 FJEB CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 36093473 QZOYHFUJRYHEAO-BGBIMMFTSA-N 371.893 4.584 30 40 FJEB C=CCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCC=C)ccc1n2CC 73634163 MXAHDQGZLPVWPB-UHFFFAOYSA-N 363.413 4.500 30 40 FJEB C[C@@H](NC(=O)Nc1cccc(C2SCCS2)c1)c1ccc(C#N)cc1 84651520 DPPBGOZSKNIBSU-CYBMUJFWSA-N 369.515 4.920 30 40 FJEB C#CCOc1ccc(Cl)cc1/C=C1\C(=O)N(CCC)c2ccccc21 409113283 HLTVTJOQNLAQDN-JXAWBTAJSA-N 351.833 4.649 30 40 FJEB COc1ccc(Cl)cc1N/N=C(\C#N)c1nc(-c2ccccc2)cs1 4175553 DCYQOCGGQLILQH-HZHRSRAPSA-N 368.849 4.812 30 40 FJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2c1 4849190 SRZBFFMWVSKCOH-UHFFFAOYSA-N 365.433 4.593 30 40 FJEB C=C(C)COc1ccc(-c2onc(C)c2-c2ccc(OC)cc2)c(O)c1 5451531 GXRHWZWKNPQSTK-UHFFFAOYSA-N 351.402 4.986 30 40 FJEB CCOC(=O)c1ccc(N/C(S)=N/c2ccccc2)cc1N(CC)CC 5499441 BXNANXUCFVOCKP-UHFFFAOYSA-N 371.506 4.739 30 40 FJEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1 5551313 HHXGGVKMVGXVDF-UYRXBGFRSA-N 364.470 4.760 30 40 FJEB CCOc1ccc(NC(=S)N/N=C2/CCCCc3ccccc32)cc1 5693127 PIVRHLXEBUJMDH-QOCHGBHMSA-N 353.491 4.502 30 40 FJEB COc1ccccc1/C=C1\C(=O)ON=C1c1ccc(-c2ccccc2)cc1 5746405 VIQZXTYGKPVQQO-HKWRFOASSA-N 355.393 4.707 30 40 FJEB CCCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccccc1 6018786 DVRMHOZELYBCKX-HOOMGSECSA-N 352.459 4.709 30 40 FJEB CC1(C)[C@@H]2CC=C(/C=N/n3c(S)nnc3-c3ccccc3Cl)[C@H]1C2 7990900 OGOGUNCUNDDLJR-SEXNOBHXSA-N 358.898 4.714 30 40 FJEB COc1ccc(-c2cnc(SCC#N)n2-c2cccc(Cl)c2)cc1 44087240 TVTLDUWJSCQQRD-UHFFFAOYSA-N 355.850 4.817 30 40 FJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)S2)c1 59459440 AYRKIUILHLDVDG-ODLFYWEKSA-N 361.470 4.985 30 40 FJEB CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 79793618 PDVBJOFBNYIZJE-KZJFZMNRSA-N 356.506 4.862 30 40 FJEB biogenic C=CCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)nc2ccccc21 4033260 VPMIHRUVIHVRRZ-HNNXBMFYSA-N 365.864 4.705 30 40 FJEB C=CCONC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 4217614 DTMPGSXFUXZBDK-UHFFFAOYSA-N 360.244 4.582 30 40 FJEB in-man COc1cc2c(cc1NCC(=O)Nc1ccc(C#N)cc1)oc1ccccc12 11619258 BUXCMNNXCHFFML-UHFFFAOYSA-N 371.396 4.517 30 40 FJEB Cc1ccc(/C(CCC(=O)O)=N/Nc2cc(C)c3ccccc3n2)cc1C 49597417 YIYSJZAZUVMYSI-LYBHJNIJSA-N 361.445 4.841 30 40 FJEB O=C(Nc1ccccc1)c1ccccc1/N=C\c1ccc([N+](=O)[O-])s1 100373970 YEBGBDZWASEHPO-UNOMPAQXSA-N 351.387 4.659 30 40 FJEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 222857923 HREPDAWOWHIRCS-INIZCTEOSA-N 351.446 4.536 30 40 FJEB COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1O[C@H](C)C(=O)O 409011037 FOAIFULYYARRSR-ZHLXBYETSA-N 368.216 4.605 30 40 FJEB CCCCCCCOc1cc2c(cc1C(C)=O)C(C)(C)CCS2(=O)=O 584656540 WHPFFBYIMWDRKQ-UHFFFAOYSA-N 366.523 4.693 30 40 FJEB COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 5960659 NCVCORJNQOEMHW-XKZIYDEJSA-N 358.393 4.890 30 40 FJEB biogenic O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccc3ccccc23)c1O 6244082 QYZOBYSWUSFCTA-VXLYETTFSA-N 371.190 4.967 30 40 FJEB Cc1cccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)c1 705043 LOKREHNNNFZGSY-UHFFFAOYSA-N 365.483 4.721 30 40 FJEB COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 849764 AHGBDGCMPHNWTC-UHFFFAOYSA-N 360.438 4.552 30 40 FJEB Cc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c(C)c1 4849025 OUFFMGYGKPVFRI-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CCOc1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC 5980235 YYKYINDPUBOTHR-XBXARRHUSA-N 361.781 4.552 30 40 FJEB O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1ccc(F)cc1 9334782 UOUGYVQCWGQZGT-ZROIWOOFSA-N 366.339 4.736 30 40 FJEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1ncccc1[N+](=O)[O-] 13575917 QEQJXLTUVGSHLL-UHFFFAOYSA-N 368.805 4.728 30 40 FJEB Cc1ccccc1CNCc1cn(CCC#N)nc1-c1cccc(Cl)c1 14117936 XLZSBNGHNXTUBL-UHFFFAOYSA-N 364.880 4.715 30 40 FJEB C=CCOc1ccc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cc1 28911630 NYYKONMQTGRCLT-QINSGFPZSA-N 351.427 4.876 30 40 FJEB C=CCOc1cccc(NC(=S)NCc2ccc(OC(C)C)cc2)c1 225447690 NYKROIPHYPSGBQ-UHFFFAOYSA-N 356.491 4.525 30 40 FJEB Cc1ccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2)cc1 408595515 XEXWXZYWYGUYTH-MFKUBSTISA-N 356.425 4.996 30 40 FJEB N#Cc1ccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cn3)o2)cc1 409024858 YGKGSRKBQYGVEF-MYKKPKGFSA-N 356.307 4.678 30 40 FJEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@@H]2c1ccccn1 924055 QAGFJNWGFXTXEF-JOCHJYFZSA-N 355.441 4.939 30 40 FJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc(C#N)cc2)c1C 1093459 YNGJXGLUMAUOKS-ZMOGYAJESA-N 357.413 4.723 30 40 FJEB C=CCn1c(-c2ccccc2)c(C)s/c1=N\c1ccc(NC(C)=O)cc1 1454955 KHSHDCIOICZSAA-LNVKXUELSA-N 363.486 4.902 30 40 FJEB Cc1ccc(COc2ccccc2/C=C2/C(=O)ON=C2c2ccccc2)cc1 3016938 YGKBUCZQUYYSCT-RCCKNPSSSA-N 369.420 4.919 30 40 FJEB C/C(=N\OC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(Br)cc1 4579585 UUDDXBQLDLZHPY-QWSZEGLUSA-N 358.235 4.520 30 40 FJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(O)cc1C 5250338 OOCRLMUDEKKMOU-UHFFFAOYSA-N 356.429 4.988 30 40 FJEB Clc1cc(Cl)c(N/N=C/c2ccc3c(c2)OCCO3)c(Cl)c1 5445971 XGDNQSHSWPMBHH-UFWORHAWSA-N 357.624 4.864 30 40 FJEB C/C(=N\OC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C)cc1 5745317 DOULZZIONLJMAX-FSJBWODESA-N 364.323 4.821 30 40 FJEB N#Cc1ccc(CSc2nc3cc(Cl)ccc3c3ccnn23)cc1 30953016 LYMHIHSUNOWUHC-UHFFFAOYSA-N 350.834 4.700 30 40 FJEB COc1ccc(C(=O)CN2C[C@@H](C)S/C2=N/c2ccc(Cl)cc2)cc1 61695581 VFSSVXURXKYQDA-MPRRQWPQSA-N 374.893 4.656 30 40 FJEB CCCCCn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O 67259011 YIPKLWQYICXSLD-UHFFFAOYSA-N 363.486 4.751 30 40 FJEB C=CCn1c(SCCCCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 84700304 TZBHFWSZERKTQY-CYBMUJFWSA-N 373.547 4.555 30 40 FJEB CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 138540094 VJCNARBEGLOJOX-UHFFFAOYSA-N 374.165 4.855 30 40 FJEB C=CCOC(=O)c1ccc(OCc2cccc(F)c2)c(Br)c1 216818103 JCGDLKGXXKTENB-UHFFFAOYSA-N 365.198 4.510 30 40 FJEB C[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(Cl)c2ccccc12 332143735 LAWHCUYRSZJSCJ-CQSZACIVSA-N 355.869 4.889 30 40 FJEB CC(C)Oc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 408861971 VXWITAPPJMSOMM-BOPFTXTBSA-N 356.422 4.505 30 40 FJEB Cc1c(C(=O)Nc2ccc(C#N)cc2)oc2ccc(Br)cc12 3375420 COVNSVDZIBDBRN-UHFFFAOYSA-N 355.191 4.628 30 40 FJEB CCOc1cccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)c1 4660132 SUABLGUBUDIUJU-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB COc1ccccc1/N=C1/NC(=O)/C(=C/C(C)=C/c2ccccc2)S1 5551450 ITNKDFIQRVZXCU-COVZNBLNSA-N 350.443 4.533 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1O 6049126 RPRUAIFUMKKGOM-ZZXKWVIFSA-N 353.201 4.612 30 40 FJEB Cc1ccccc1/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 8570937 ANGSLPUUEYXJPV-RCCKNPSSSA-N 351.427 4.513 30 40 FJEB O=C(/C=C\c1ccccc1O)c1cccc(C(=O)/C=C/c2ccccc2O)c1 13402990 FRFLRNQXMSSLLA-PMJBJKLVSA-N 370.404 4.890 30 40 FJEB C=CCOc1ccccc1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O 59503054 IMUIIXKLKYVUPD-CYVLTUHYSA-N 361.441 4.893 30 40 FJEB O=C(c1ccccc1OC(F)(F)F)c1c(F)c(F)c(F)c(F)c1F 101475577 NXXJREJEQWJPHC-UHFFFAOYSA-N 356.168 4.512 30 40 FJEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1 408969909 WTRHQGIFWYBONP-LGMDPLHJSA-N 372.346 4.600 30 40 FJEB N#CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 3285644 DPRCNBGMXVEZBP-UHFFFAOYSA-N 365.849 4.685 30 40 FJEB Cc1cccc(-c2nc3n(n2)[C@H](c2cccc(C)c2)C2=C(CCCC2=O)N3)c1 4279833 VDIMVOJPAVSIKB-OAQYLSRUSA-N 370.456 4.584 30 40 FJEB CCc1ccc2nc(SCC(=O)c3ccc(OC)cc3)c(C#N)cc2c1 4848967 JYYYHJIRRPKFRM-UHFFFAOYSA-N 362.454 4.652 30 40 FJEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc12 4849047 LRATVBHDNYOMDW-UHFFFAOYSA-N 367.861 4.799 30 40 FJEB CCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O 4911076 JBUGQCOLYBOLRA-SQULJVTFSA-N 365.502 4.629 30 40 FJEB C=C(C)CSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 5322893 QTIYFLPPEXWSQR-UHFFFAOYSA-N 356.491 4.672 30 40 FJEB COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 5959423 YDZUCHRNTYXYQU-XKZIYDEJSA-N 358.393 4.890 30 40 FJEB biogenic C[C@@H](Oc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 6401735 GPHHCLLCOPKOKY-VXGBXAGGSA-N 363.244 4.510 30 40 FJEB O=C(CCc1ccccc1)O/N=C(\c1ccncc1)c1ccc(Cl)cc1 30836358 ILWSJAUQUWRADF-FLFQWRMESA-N 364.832 4.663 30 40 FJEB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N 225681820 VPUVIHSSYWVFDJ-UHFFFAOYSA-N 352.409 4.547 30 40 FJEB CC(C)Cc1ccc(/C=N/NC(=N)SCc2ccc(F)c(F)c2)cc1 6693325 APJFLNBIVCLRMH-FOKLQQMPSA-N 361.461 4.955 30 40 FJEB Fc1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 12375471 KVBPIEMYTZGDOT-ONUIUJJFSA-N 371.459 4.547 30 40 FJEB O=C(Nc1cc(Cl)cc(Cl)c1)O[C@H]1C[C@H]2CC[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 101021543 GNZAXJFAMVXBKI-PMIIQULOSA-N 368.260 4.744 30 40 FJEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2cccc3ccccc23)c1 409070168 KXNHJOXLQSGIJF-VXLYETTFSA-N 371.190 4.967 30 40 FJEB Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O 409084456 CVIDKXYRLRZHRS-SPDSTVKKSA-N 373.481 4.829 30 40 FJEB C#CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 409246498 CAAZCAQDRPDUOV-AQTBWJFISA-N 365.479 4.816 30 40 FJEB COc1ccc(C(C)=O)cc1CO/N=C/c1ccc(Cl)cc1Cl 3319797 DHEYQYJAGACFAS-AWQFTUOYSA-N 352.217 4.755 30 40 FJEB Cc1ccc(O)c(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c1 4592698 JVGYVWIHLXCCDF-LPYMAVHISA-N 362.385 4.656 30 40 FJEB CC(C)(C)CC(C)(C)/N=C(\S)NC1CCN(Cc2ccccc2)CC1 8693805 HNUKTONMTDKSNL-UHFFFAOYSA-N 361.599 4.741 30 40 FJEB CCN1C(=O)N[C@H](c2ccccc2)C(C(=O)/C=C/c2ccc(C)cc2)=C1C 12389514 ZRJUHUIBHUJWDC-JXVRESAISA-N 360.457 4.638 30 40 FJEB N#Cc1c(COC(=O)C2(c3ccccc3F)CCCC2)cn2ccccc12 14852191 FTQPVLSUFQZIGI-UHFFFAOYSA-N 362.404 4.505 30 40 FJEB O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1ccc(Br)cc1 27121494 IGRFGQOYUHZCAD-IZZDOVSWSA-N 367.246 4.590 30 40 FJEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 59105276 YBGSCKSECPIPLM-FYJGNVAPSA-N 368.824 4.856 30 40 FJEB Fc1ccc(-c2cc3ncnc(N/N=C4/C[C@H]5C=CC[C@H]45)c3s2)cc1 96714155 YOWRAZPJWXMRLR-DLKDUTIOSA-N 350.422 4.861 30 40 FJEB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)CC2=O 100923189 ILHUGSXRANMEIC-ZEQRLZLVSA-N 373.452 4.916 30 40 FJEB Cc1cccc(C2=NOC(=O)/C2=C\C(Br)=C\c2ccccc2)c1 101662729 ICYJIWXEWFZVPC-LSQIQBGYSA-N 368.230 4.618 30 40 FJEB O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(N3CCCCC3)cc2)c1O 254703675 ITRHSIOLGCQXJK-UHFFFAOYSA-N 359.813 4.695 30 40 FJEB CCCCNC(=S)N(C)/N=C/c1c(-c2ccccc2)[nH]c2ccccc12 2632158 ZZNMNQQBIVMQSE-HZHRSRAPSA-N 364.518 4.775 30 40 FJEB COc1cc(/C=N/Nc2ccccc2)c(OC)cc1/C=N/Nc1ccccc1 6735463 YFOZOHUXDSHBLW-DFEHQXHXSA-N 374.444 4.596 30 40 FJEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 7325149 DXCKIIGTKVJVMM-IZZDOVSWSA-N 359.347 4.728 30 40 FJEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C2CCCCC2)cc1 13953808 FRLFMUKATUCFJN-OQKWZONESA-N 370.518 4.745 30 40 FJEB C=CCOc1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 20485464 BVTNEGAVOOHJIA-UHFFFAOYSA-N 369.461 4.620 30 40 FJEB COc1nc(-c2ccccc2Cl)cc(-c2cccc([N+](=O)[O-])c2)c1C#N 27023309 KDRFMBZORWGOGQ-UHFFFAOYSA-N 365.776 4.857 30 40 FJEB C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccs1 32475866 NVEVKXAFRSKZJZ-HNNXBMFYSA-N 362.454 4.690 30 40 FJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 103087430 CPKTWCCGGZZJIM-GHNGSUTGSA-N 369.848 4.562 30 40 FJEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2ccccc2c1 225047914 BPWGUTUBQJQJIY-UHFFFAOYSA-N 367.470 4.620 30 40 FJEB COc1ccc(/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408540660 AUVOWGBHNDQUSG-FMCGGJTJSA-N 374.396 4.740 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 409103593 CORVNJZGVDCOLA-XMHGGMMESA-N 364.470 4.662 30 40 FJEB COc1cccc(-c2csc(/C(C#N)=N/Nc3ccc(C)c(C)c3)n2)c1 4175539 HZWHOSCCFTXPRM-HKOYGPOVSA-N 362.458 4.775 30 40 FJEB COc1cc(/C=N/Nc2cccc(C)c2)ccc1OC(=O)c1cccs1 4924213 MJIWNXMFHZHVGO-FYJGNVAPSA-N 366.442 4.730 30 40 FJEB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(C#N)cc3)o2)cc1C 31433516 KUTWMPNETWTTKR-KRWDZBQOSA-N 373.456 4.640 30 40 FJEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1ccc([N+](=O)[O-])cc1 104283816 BIZPYDZJGRXSQV-FCQUAONHSA-N 362.393 4.952 30 40 FJEB FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1(F)F 169795909 NGEYGRCDNBGSKG-LVAAGULDSA-N 358.175 4.546 30 40 FJEB CCn1c(N=C(O)c2cn(C)nc2C2CCCCC2)nc2cc(C)ccc21 329180364 DJLKFQGGNBSQHW-UHFFFAOYSA-N 365.481 4.782 30 40 FJEB CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408889190 APMDLDPJOHDRCS-PDGQHHTCSA-N 352.459 4.613 30 40 FJEB COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O 408906143 HSWSCGQPFFEYEK-BIXZQSIESA-N 352.459 4.708 30 40 FJEB COc1cc(C#N)ccc1OC(=O)Cc1coc2ccc3ccccc3c12 3433262 YVBRKVGSCWPFFR-UHFFFAOYSA-N 357.365 4.614 30 40 FJEB CCc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1 4849018 ULLJUIBDQAQNDY-UHFFFAOYSA-N 361.470 4.708 30 40 FJEB C=C1C[C@H](C)O[C@H](c2ccccc2OCc2ccc(C(=O)OC)cc2)C1 18190106 OTOMNJIFGCJDCB-KKSFZXQISA-N 352.430 4.848 30 40 FJEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 18196736 IGICTESTJNVZKL-IBGZPJMESA-N 353.805 4.633 30 40 FJEB COCc1c(C(=O)Nc2sc(C)c(C)c2C#N)sc2cccc(F)c12 26362737 YKXXCMMCMUZNGC-UHFFFAOYSA-N 374.462 4.989 30 40 FJEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccc(Cl)cn2)c1O)CCCC3 34106856 RVLXYBSADTXQPA-ZVBGSRNCSA-N 371.780 4.724 30 40 FJEB CCOc1ccc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2c1 35291644 BCHZACSZRWZGQF-UHFFFAOYSA-N 366.417 4.619 30 40 FJEB C#CCN(Cc1cccc(C)n1)C(=O)/C=C/c1ccc(-c2ccccc2)s1 72303814 KTEHUOYEMNYVHN-FYWRMAATSA-N 372.493 4.794 30 40 FJEB Cc1cccc(CSCCCNC(=S)Nc2ccc(CC#N)cc2)c1 225603488 JDLCYMXULMOLCJ-UHFFFAOYSA-N 369.559 4.671 30 40 FJEB O/C(Cn1cc2ccccc2n1)=N/[C@@H]1CC2(CCCC2)Oc2ccccc21 330165801 XIBKJTNXLHVSGW-LJQANCHMSA-N 361.445 4.829 30 40 FJEB C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CCc2ccccc21 593407390 UFCWVGAMMLWWKL-AVRDEDQJSA-N 361.489 4.793 30 40 FJEB C/C(=N/CC/N=C(\C)C1=C(O)C[C@@H]2[C@H]1C2(C)C)C1=C(O)C[C@@H]2[C@H]1C2(C)C 1772492248 HPPIFYXXALWQCW-DBUSBHSZSA-N 356.510 4.884 30 40 FJEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C(\C)c1ccco1 1463611 GQWVKROJLMMQFI-UWEMVVJISA-N 357.866 4.974 30 40 FJEB Cc1ccc(/C=N/N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 2216133 VFYVXUGWRNWRCS-NMWDDECMSA-N 355.441 4.904 30 40 FJEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccccc3)o2)c1 5879510 UNXAOJNGUCPUKU-CIAFOILYSA-N 354.793 4.833 30 40 FJEB COc1ccc(C(=O)/C=C/c2cc(Br)ccc2F)c(OC)c1 6581385 MCIRFVLUDRMJIZ-FPYGCLRLSA-N 365.198 4.502 30 40 FJEB N#CC1(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CCCC1 12782569 LAOXGUILFSPIOQ-UHFFFAOYSA-N 361.470 4.910 30 40 FJEB O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cccc2ccccc12 13590106 LNOUOENNNXOQIN-GOSISDBHSA-N 366.873 4.955 30 40 FJEB COc1ccc(CC/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1OC 18068989 USXUCXMMEVJUJW-PCLIKHOPSA-N 357.453 4.937 30 40 FJEB Cn1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409073334 GYYCNKGZDUHXOC-ZVBGSRNCSA-N 362.311 4.551 30 40 FJEB c1ccc2c(c1)OCCCCCCN/C(=N/CC1CC1)c1cccnc1O2 643570394 CLQPLMBKSBYSPB-UHFFFAOYSA-N 365.477 4.573 30 40 FJEB C#CCN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 4704876 GOJIDJFCCPSXKA-VBKFSLOCSA-N 371.502 4.657 30 40 FJEB COc1cc(/C(C)=N/Nc2ccccc2C(F)(F)F)cc(OC)c1OC 13101352 AYSGHSDKLLGTOR-SSDVNMTOSA-N 368.355 4.567 30 40 FJEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 18244450 WCVBAGINZOIWFK-OAQYLSRUSA-N 364.445 4.833 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(OC)c1 59103797 HMGCWMFAONOHCO-UHFFFAOYSA-N 362.514 4.671 30 40 FJEB Cc1cc(C)c(C#N)c(SCc2nn(-c3ccccc3)c3c2CCC3)n1 60278611 BVRCBUDNMVGCDU-UHFFFAOYSA-N 360.486 4.537 30 40 FJEB CSc1nc2ccc(/N=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2s1 100381493 FJZYSLFNVDPBHA-VCHYOVAHSA-N 372.475 4.743 30 40 FJEB CCOc1cccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c1 408737655 FWZOPXBRCOCDNS-YVLHZVERSA-N 372.877 4.939 30 40 FJEB CCOC(=O)c1cccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)c1 408950850 HROKHZLCYZNQAW-FSJBWODESA-N 362.385 4.955 30 40 FJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)cc1 2260134 NOCONLPMDQYZEA-OEAKJJBVSA-N 362.429 4.727 30 40 FJEB Oc1ccccc1/C=N/Nc1nc(-c2ccccc2F)nc2ccccc12 5032945 MQNZTVKPBRHGTK-YDZHTSKRSA-N 358.376 4.588 30 40 FJEB COc1cc(/C=C/C(=O)c2sc(Nc3ccccc3)nc2C)ccc1O 5552249 OFVZCBQTOWOILR-PKNBQFBNSA-N 366.442 4.805 30 40 FJEB Cc1ccccc1C(=O)Oc1ccc(/C=N/Nc2nc(C)c(C)s2)cc1 6234570 CSDWVTNDGRBVIV-CIAFOILYSA-N 365.458 4.734 30 40 FJEB F[C@H](C(F)(F)F)C(F)(F)OCCC(F)(F)C(F)(F)C(F)(F)F 1565659646 XINHDWSLRKIDCW-GSVOUGTGSA-N 364.101 4.719 30 40 FJEB C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 2354060 WTQVIUXFHLOYDT-UHFFFAOYSA-N 368.527 4.912 30 40 FJEB Cc1cc(/C=N/c2cc(Cl)ccc2O)c(O)c(Br)c1C 4414249 ADNISEKQXMTLAN-CNHKJKLMSA-N 354.631 4.881 30 40 FJEB O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 4520974 IBNUKADQNZJUDI-STZFKDTASA-N 373.383 4.749 30 40 FJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 12568327 ZGIZJVGAAUXZPS-PZJWPPBQSA-N 368.860 4.968 30 40 FJEB O=C1N/C(=N\c2ccc(F)cc2)S[C@@H]1Cc1cccc(Cl)c1Cl 13564226 NTNROJBQMZPYJS-CYBMUJFWSA-N 369.248 4.594 30 40 FJEB CCCC(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C\c1ccccc1 17044870 YOYNMFXOWHXUMO-MFVIGFRPSA-N 354.366 4.784 30 40 FJEB CSc1nc(Nc2ccccc2F)c(C#N)c(-c2ccc(C)cc2)n1 19820639 IYBGYVBKRIGQLI-UHFFFAOYSA-N 350.422 4.928 30 40 FJEB Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(C#N)(CC1)CC2 91302046 XPQXRUBWAXFEBJ-UHFFFAOYSA-N 360.383 4.616 30 40 FJEB C=CCO/N=C(\CCC)C1/C(=N\OCC)CC(C)(C)C/C1=N\OCC 102909768 VVKYCMXPCMOVKQ-KRLWORMYSA-N 351.491 4.566 30 40 FJEB C=CCc1cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1OC 218658400 OYFBGRQESJVUDD-IBGZPJMESA-N 365.473 4.764 30 40 FJEB Cc1cccc(C(=O)N=C2C(Cl)=C(Cl)C(=O)C(Cl)=C2Cl)c1 939789 NGXLRRGBLRTQMP-UHFFFAOYSA-N 363.027 4.537 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(F)cc1)OCO3 8828661 AFMIMVZMPSWEDP-HXUWFJFHSA-N 365.404 4.755 30 40 FJEB COCc1cc(C)nc2sc(N)c(N/C(C)=C/C(=O)c3ccccc3)c12 12445377 ANENUWIKUOIJCJ-JLHYYAGUSA-N 367.474 4.532 30 40 FJEB Cc1cccc(Oc2ccc(/N=C(\O)c3ccc(-c4nnn[nH]4)cc3)cc2)c1 38408306 ASAISTFPAWYXIY-UHFFFAOYSA-N 371.400 4.604 30 40 FJEB C=CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(O)CCCC1=N2 101324153 OTBFDUIBGYIHQF-QGZVFWFLSA-N 352.463 4.536 30 40 FJEB C(=N/n1c(-c2ccccc2)cs/c1=N/Cc1ccccc1)\c1cccnc1 103371954 PFWCGUUBLYVLAX-ZZLXZKNGSA-N 370.481 4.595 30 40 FJEB N#Cc1c(SCc2ccccc2)sc(C(=O)c2ccccc2)c1N 1402665 YWSVGEAQMMJGCH-UHFFFAOYSA-N 350.468 4.725 30 40 FJEB O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)F 2312861 YUHXASFWTDOVGE-UHFFFAOYSA-N 358.040 4.765 30 40 FJEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4217688 GACKBTMUYYITHY-XMWFLPSHSA-N 362.485 4.788 30 40 FJEB in-vitro COc1ccc2c(c1)CCc1sc(/N=C/c3ccc([N+](=O)[O-])cc3)nc1-2 5514485 VPRYVGNOTTVLDN-RGVLZGJSSA-N 365.414 4.576 30 40 FJEB CCCCNc1oc(-c2ccc(COc3ccc(OC)cc3)o2)nc1C#N 8654645 KZQOTLMUUHJSND-UHFFFAOYSA-N 367.405 4.606 30 40 FJEB C=CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197072 VKEQZIPRZUEYKL-SRZZPIQSSA-N 365.260 4.691 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)cc1C 408783369 KRXXGUMHCAXCNA-SXGWCWSVSA-N 358.850 4.554 30 40 FJEB C[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccccc3)c2C#N)C1 1771091 XVWGXAYRXDSQGS-CQSZACIVSA-N 354.475 4.542 30 40 FJEB C/C(=N\OC(=O)NC1CCCCC1)c1sc(-c2ccccc2)nc1C 4050438 PRAAACRCFKRFIE-HYARGMPZSA-N 357.479 4.901 30 40 FJEB COc1ccccc1/C=N/Nc1nc(-c2ccccc2F)nc2ccccc12 5024810 ZYMSZVQUIPJKKS-ZVHZXABRSA-N 372.403 4.891 30 40 FJEB CCOc1ccc(Br)c(/C=N/c2cc(Cl)ccc2O)c1O 5673358 YRAWSHVCKWKDIV-QGMBQPNBSA-N 370.630 4.663 30 40 FJEB CC(C)c1ccc(/C=N\NC(=S)N/N=C\c2ccc(C(C)C)cc2)cc1 33364718 XAUYIGRFODJXMP-SJZPPUTKSA-N 366.534 4.766 30 40 FJEB Cc1ccc(/N=c2/scc(-c3ccco3)n2/N=C/c2ccncc2)c(C)c1 95951030 LMAPNCWVOZSNME-LVPJLCKRSA-N 374.469 4.936 30 40 FJEB N#Cc1cc(N)c(Cc2ccccc2)n1Cc1ccc(Cl)cc1Cl 225856564 IUIIQTXCEGEUTQ-UHFFFAOYSA-N 356.256 4.888 30 40 FJEB Cc1ccc(-c2nnc(S)n2N=Cc2cccc(Cl)c2Cl)cc1 253617016 XBYUOPYNKSCEAM-UHFFFAOYSA-N 363.273 4.731 30 40 FJEB C[C@@H]1CCC/C(=C/Nc2ccc(Br)cc2Br)C1=O 409182324 KOPJPAZNBDNYMQ-URLRMUCDSA-N 373.088 4.897 30 40 FJEB O=C(c1cccc(OC(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F 575358852 GOZWUNPNAMRXIH-UHFFFAOYSA-N 358.131 4.601 30 40 FJEB C=C(Cl)CSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 6652321 QMGWPBYPFPEADI-UHFFFAOYSA-N 356.878 4.847 30 40 FJEB N#Cc1cccc(NCC(=O)Nc2ccccc2Sc2ccccc2)c1 7974234 WIJVKHIRNFYENY-UHFFFAOYSA-N 359.454 4.760 30 40 FJEB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2C#N)s1 19819613 APWJRVDVWNQDKU-UHFFFAOYSA-N 353.472 4.623 30 40 FJEB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCCCC#N)c2C1 32666632 MYGZPSYLCZSSRH-OAHLLOKOSA-N 350.462 4.846 30 40 FJEB CCCC(C#N)(CCC)NC(=O)Cc1csc(-c2cccc(C)c2)n1 75110361 DWTGQCWJHFDXAI-UHFFFAOYSA-N 355.507 4.640 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N/c1ccccc1 96610654 YXJBITSODJJEQR-KXNKKEQVSA-N 352.459 4.628 30 40 FJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)c1 102417539 VZSDSPIZLJAKIQ-CIAFOILYSA-N 359.341 4.859 30 40 FJEB CCCCCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 408708254 WNHHSRUVZIGJTP-UHFFFAOYSA-N 359.297 4.799 30 40 FJEB CCCCCCCCCCCCNC(=O)C(=O)NC[C@H](C)c1ccccc1 408708401 ZEEHWLVVYOAHRN-FQEVSTJZSA-N 374.569 4.943 30 40 FJEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3OC)S2)cc1 408765739 XMORLCBAGWWZSX-BOPFTXTBSA-N 372.877 4.803 30 40 FJEB CCN(CC)CCOC(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 2272148 CSLYVLVQULCKNF-PXLXIMEGSA-N 358.869 4.589 30 40 FJEB Cc1cc(C)cc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c1 4124983 GKDJPQWNPWFDBI-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 4471545 IHYARIKVXVDGDZ-LDADJPATSA-N 364.401 4.977 30 40 FJEB CCn1c2ccccc2c2cc(CN(C)C(=O)c3ccc(C#N)cc3)ccc21 9931872 LQUCGQDQZMODPR-UHFFFAOYSA-N 367.452 4.958 30 40 FJEB CC(C)C(=N/N=c1/[nH]c2ccccc2s1)/N=N/c1ccc([N+](=O)[O-])cc1 22611984 VZAFSUCCNYWKBW-NOWCAHNLSA-N 368.422 4.792 30 40 FJEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c2ccccc12 34145677 GSTHOXKWZBXNEH-CPNJWEJPSA-N 360.438 4.740 30 40 FJEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 100521761 DVGYPHMQDRCONB-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1F 408913448 URVNYTGPYNSBMR-MTJSOVHGSA-N 352.369 4.587 30 40 FJEB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1C#N 2543663 RYPNLVBIMQSUHO-UHFFFAOYSA-N 355.756 4.567 30 40 FJEB N#Cc1ccc([C@H]2CC=CS2)nc1S[C@@H](C(=O)O)c1ccccc1 6757207 VQLIGSDFPVUZIU-HZPDHXFCSA-N 354.456 4.563 30 40 FJEB N#C[C@@H](C(=O)CSc1ccccc1F)c1nc(-c2ccccc2)cs1 12898132 CXPMBVNZHMJNDL-AWEZNQCLSA-N 368.458 4.918 30 40 FJEB Cc1ccc(/N=C2\N[C@@H]3N=C(c4ccc(Cl)cc4)S[C@H]3S2)cc1 41097435 TYPVLNCMGLIMDX-HOCLYGCPSA-N 359.907 4.818 30 40 FJEB Cc1ns/c(=N\C(=N\c2ccccc2)c2ccccc2)n1-c1ccccc1 102944001 SCPUGCLDMPNDGZ-CFPQKXLCSA-N 370.481 4.921 30 40 FJEB Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 1052167 LLPVJWDTLCFFNY-HYARGMPZSA-N 360.369 4.873 30 40 FJEB Brc1cccc(/C=C/C=N/c2ccc(N3CCOCC3)cc2)c1 4712818 LHBPIOSCCWAVCF-ZWPYRXLESA-N 371.278 4.701 30 40 FJEB Cc1cccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 12556021 TUTOJQYLGKWYBB-CQSZACIVSA-N 353.491 4.636 30 40 FJEB CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(CC)cc1 12603351 OIEQPXQELOTWMY-JTBXLCSZSA-N 353.466 4.721 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 29570077 UIJABVKOSUJSHT-RUDMXATFSA-N 366.335 4.627 30 40 FJEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(F)cc1 33339424 UOUGYVQCWGQZGT-NTEUORMPSA-N 366.339 4.736 30 40 FJEB O=C(Nc1cccnc1)/C(=C\c1ccccc1Cl)C(=O)c1ccccc1 34859579 IKGRYPGHSRSUSS-AQTBWJFISA-N 362.816 4.640 30 40 FJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C#N)cc3)c12 89534490 DMLHSOHCPSLCPJ-OUKQBFOZSA-N 366.424 4.551 30 40 FJEB CC(=O)c1ccc(Cl)c(/N=C\c2cc(Br)ccc2O)c1 104220349 GKVLOGMTKHPNRD-LSCVHKIXSA-N 352.615 4.761 30 40 FJEB Cc1sc(NC(=S)NC(=O)c2ccc3ccccc3c2)c(C#N)c1C 408626831 ITQDAITXRAHFCN-UHFFFAOYSA-N 365.483 4.517 30 40 FJEB N#CCCN(C(=O)COc1ccccc1-c1ccccc1)c1ccccc1 3260395 OGEIMIWBEPRFGJ-UHFFFAOYSA-N 356.425 4.679 30 40 FJEB C=CCN1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 4910310 TVTVGFYSGGFXPF-SFHVURJKSA-N 351.494 4.509 30 40 FJEB CCc1ccc(N/N=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 5022022 LXMWCKKMWRTRNL-MOHJPFBDSA-N 362.458 4.721 30 40 FJEB C=CCOc1ccc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)cc1 7007116 UZRMXEGHJWOZLL-VBKFSLOCSA-N 364.470 4.584 30 40 FJEB COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c1 12861515 CRBZDCSMZKBYGY-BKUYFWCQSA-N 372.376 4.531 30 40 FJEB biogenic CC(C)(CN1CCCCC1)C(=O)/C=C\c1ccc(Br)cc1 17219128 KAJSZEIUZJTJRV-FLIBITNWSA-N 350.300 4.544 30 40 FJEB O=C(OCCCC(F)(F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F 169795672 BFGZEPMVAZPICG-UHFFFAOYSA-N 372.130 4.611 30 40 FJEB O=C1Nc2ccc(C(F)(F)F)cc2/C1=N/Nc1cccc(Cl)c1Cl 223747356 CCNIVXJRHFNBPE-UHFFFAOYSA-N 374.149 4.781 30 40 FJEB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@@H](C)C1 225854837 UDOLYPKJVXFNHL-VGOFRKELSA-N 372.509 4.907 30 40 FJEB Cc1cc(-c2ccc(/C=N/c3ccc(C(=O)O)cc3)o2)cc([N+](=O)[O-])c1C 408911955 PDEFDUDXRSXVIR-SRZZPIQSSA-N 364.357 4.920 30 40 FJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 4903081 VEBRTZIQKRKHKG-SFHVURJKSA-N 359.473 4.750 30 40 FJEB Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccn2c1CCC#N 4932961 IWKNYXHRZOCNRX-UHFFFAOYSA-N 356.347 4.954 30 40 FJEB CCOc1cc(C#N)ccc1OCc1csc(-c2ccc(C)cc2)n1 7462547 CFOQWCUHVCMLDT-UHFFFAOYSA-N 350.443 4.968 30 40 FJEB COc1cc(/C=N/c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 7737589 OIYMKYNEYUFXBM-YDZHTSKRSA-N 361.397 4.754 30 40 FJEB C=CCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OC 8811864 HIQDLLYSGLKEIJ-SRZZPIQSSA-N 365.260 4.691 30 40 FJEB N#Cc1c(NC(=O)COc2ccccc2)oc(-c2ccco2)c1-c1ccco1 9305333 HHOSGFBUZHKTTC-UHFFFAOYSA-N 374.352 4.689 30 40 FJEB CCc1ccc(/C=N\Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 31854393 DYUVRGPQAHYMIV-ODLFYWEKSA-N 352.419 4.727 30 40 FJEB CCCCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(OCC)cc2)cc1 51318820 KNZUMGOXEWXHCH-CCEZHUSRSA-N 367.445 4.851 30 40 FJEB C=CCCC1(C(=O)OC(C)(C)C)CCN(C(=O)OCc2ccccc2)CC1 199784555 NRGPLKZLSJWXKE-UHFFFAOYSA-N 373.493 4.713 30 40 FJEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccccc1 208864380 DPFZUGQDEVCBFP-CXUHLZMHSA-N 371.820 4.634 30 40 FJEB COC(=O)c1ccc(Cl)c(/N=C\c2ccc(N3CCCCC3)cc2)c1 408847119 PHRKEDKKHOODDP-HMAPJEAMSA-N 356.853 4.868 30 40 FJEB O=S(=O)(Oc1ccc(/C=N/c2ccccc2)cc1Cl)c1ccccc1 409207924 CRDAZJIDXVGTTA-KGENOOAVSA-N 371.845 4.858 30 40 FJEB Cc1ccc(-c2csc(N/N=C/c3ccc(N(C)C)cc3)n2)c(C)c1 4957171 OISVGGUHIZPULN-CIAFOILYSA-N 350.491 4.939 30 40 FJEB COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2ccc(C#N)cc2)cc1 8344991 GPKKOEYOIVGWGN-RCJYHZQCSA-N 360.457 4.724 30 40 FJEB COc1ccc(-c2ccc(C#N)c(SCc3ccc(C#N)cc3)n2)cc1 9970827 SSIIVRBDOXQYOY-UHFFFAOYSA-N 357.438 4.793 30 40 FJEB CC(=O)Nc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)cc1 13284055 IMSHSOHELHNVOJ-OEAKJJBVSA-N 354.413 4.792 30 40 FJEB CSc1ccccc1/N=C/c1ccccc1I 408550539 HSOZWYVGWCBLOR-MHWRWJLKSA-N 353.228 4.764 30 40 FJEB COc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c1 408868139 LPBZIIJXBIZTOY-YBEGLDIGSA-N 358.850 4.549 30 40 FJEB CC/N=C1/S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CC 408931564 NEDNXVQXVQHJKF-KIOXBDSISA-N 366.486 4.578 30 40 FJEB CC(C)OC(=O)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083809100 FBRZAKVPYZGKNZ-UHFFFAOYSA-N 350.177 4.611 30 40 FJEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4[nH]3)c2C)cc1 4865176 BHPFMQIBLIOYAG-OEAKJJBVSA-N 373.460 4.815 30 40 FJEB CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9420876 OGDYMTXCSXPAKB-FMQZQXMHSA-N 363.196 4.577 30 40 FJEB biogenic FC(F)(F)C(/C=C/I)(C(F)(F)F)C(F)(F)F 95682195 CYOXXWXEWWBMQR-OWOJBTEDSA-N 371.968 4.608 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C2/CCC[C@H]([C@@H]3C[C@@H]4CC[C@@H]3C4)C2)c([N+](=O)[O-])c1 101646169 WTOSTGMJQPXDNC-KSPFHBEASA-N 372.425 4.897 30 40 FJEB O=C1C=C(Sc2ccccc2)C(=O)C=C1Nc1cccc2ccccc12 102977423 SIMDVVRVSKWFQJ-UHFFFAOYSA-N 357.434 4.964 30 40 FJEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2cccc(C)c2)C1=O 408534516 SSELQJHOHBAEBU-UYRXBGFRSA-N 365.454 4.796 30 40 FJEB COc1cc(COc2ccccc2/C=N\O)ccc1OCc1ccccc1 408540113 NGELFEFGQNAEBV-UCQKPKSFSA-N 363.413 4.661 30 40 FJEB COc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 409212649 RSFDAHGPXDTKAH-BUVRLJJBSA-N 374.440 4.772 30 40 FJEB N#Cc1nc([C@H]2C[C@H]2c2cccc(F)c2)oc1NCCc1cccs1 1775976183 PFSKKUKUARRKAD-HOTGVXAUSA-N 353.422 4.673 30 40 FJEB C=CCn1c(SCc2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 2447785 KMJCSTQCZJZBRL-UHFFFAOYSA-N 360.479 4.692 30 40 FJEB CCN(CC)c1ccc(/C=N/N=c2\[nH]c(-c3ccccc3)c(C)s2)cc1 4869785 IWALHIPSLRPUPF-PXLXIMEGSA-N 364.518 4.833 30 40 FJEB COc1cccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCC3)c1 5646310 RPYJHXGSRALVLC-UHFFFAOYSA-N 354.413 4.600 30 40 FJEB O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccccn23)ccc1Cl 13230360 LDNSHDXPYBFIKX-RGVLZGJSSA-N 366.764 4.907 30 40 FJEB C#CCOc1cccc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)c1 19240245 MVZZMWRQCNATJH-IBGZPJMESA-N 368.527 4.599 30 40 FJEB Clc1ccc(CO/N=C/c2c(Cl)nc3sccn23)cc1Cl 3027954 ODANSXRMENRCKR-UBKPWBPPSA-N 360.653 4.907 30 40 FJEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(C)c1 5478396 CPPYEMGUXNLTNU-UHFFFAOYSA-N 366.446 4.640 30 40 FJEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 6870433 VUPTYKCHUUCFJV-WJDWOHSUSA-N 358.850 4.630 30 40 FJEB COc1ccc(/C=C(\C(=O)c2ccc(O)cc2)c2ccccc2)cc1OC 17421656 NRQNZLFTAAQUHD-ZHZULCJRSA-N 360.409 4.833 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(Nc2cccc(C)c2C)=NC1=O 35644772 FCRSYLRJRQUGSK-CPNJWEJPSA-N 364.470 4.951 30 40 FJEB CCCCCCCCCCC(=O)Nc1nc(C)c(C(=O)N(C)C)s1 97941879 VFHAGHSGWWMERS-UHFFFAOYSA-N 353.532 4.623 30 40 FJEB CCCCc1ccc(N/N=C2\Sc3nc4ccccc4n3C2=O)cc1 101640658 QSIFLXQHEWYMMU-XLNRJJMWSA-N 350.447 4.550 30 40 FJEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224927833 WVLDOIWCTDRZAB-UHFFFAOYSA-N 370.301 4.992 30 40 FJEB O/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226339581 QUUFYQHAXXFVLH-WSVATBPTSA-N 358.594 4.629 30 40 FJEB Cc1cc(N2CCCCC2)ccc1/C=N/Nc1ccc(C(F)(F)F)cn1 409070235 LCXRJVPQXRQVJG-WYMPLXKRSA-N 362.399 4.845 30 40 FJEB COc1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1Cl 409100944 WBHIGFRWFOGRNW-LPYMAVHISA-N 374.868 4.717 30 40 FJEB N#CCCCCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 3441526 NHBDUMLPBWNTPF-UHFFFAOYSA-N 369.877 4.825 30 40 FJEB C[C@@H]1CCc2c(sc3ncnc(N/N=C/c4ccc(Cl)cc4)c23)C1 6437861 SWYIRPDKBLMFEC-LCRYFQBLSA-N 356.882 4.916 30 40 FJEB C=CCOc1c(Br)cc(CNC2CCCCCC2)cc1OC 7525106 ZFRLWJIAFOKGJJ-UHFFFAOYSA-N 368.315 4.835 30 40 FJEB Cc1nc(-c2ccccc2)sc1C(=O)Nc1sc2c(c1C#N)CCC2 7996207 LBSRXDSYKFAERE-UHFFFAOYSA-N 365.483 4.793 30 40 FJEB CCCCCCCCCCOC(=O)Cn1c(CC)[n+](C)c2ccccc21 42685803 IHTYZZQCLAKDHA-UHFFFAOYSA-N 359.534 4.712 30 40 FJEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 226333845 KKBNCCPIAYUNCL-UXBLZVDNSA-N 361.224 4.762 30 40 FJEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccccc3C)c2)cc1 409203032 VQSIRGVHERBJSF-JCMHNJIXSA-N 365.454 4.822 30 40 FJEB COc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(C)c(C)c3)n2)cc1 4175533 ZIGXUSDGGBFCKJ-HKOYGPOVSA-N 362.458 4.775 30 40 FJEB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 4554799 NKSLAPUOXYRPCO-ZDUSSCGKSA-N 354.475 4.784 30 40 FJEB CCCn1c(C)cc(C(=O)COc2c(Cl)cc(C#N)cc2OCC)c1C 7778117 MVMNJKKZWOGCDW-UHFFFAOYSA-N 374.868 4.700 30 40 FJEB CCOc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F 16419330 MUKUQJSVCHTFJV-UHFFFAOYSA-N 372.415 4.723 30 40 FJEB N=C1S/C(=C\c2cccc(Cl)c2Cl)C(=O)[C@@H]1c1nccs1 107759701 JWNWPPAIXVDRBY-UTMUVHJLSA-N 355.271 4.868 30 40 FJEB COc1ccc(/N=C/c2ccccc2I)cc1Cl 408550279 FLQPKRAMIWAWHT-RQZCQDPDSA-N 371.605 4.704 30 40 FJEB C#CCCCCNC(=O)C1(c2ccc(Br)cc2)CCCCC1 1127184035 CNGLRLDBYOPGQV-UHFFFAOYSA-N 362.311 4.571 30 40 FJEB Cc1cc(C)c(C#N)c(Sc2ncnc3sc4c(c23)CCCC4)n1 942227 KNGRYRCSQBEFSG-UHFFFAOYSA-N 352.488 4.605 30 40 FJEB COc1ccc2c(c1)CC/C2=N/OC(=O)c1cc(SC)ccc1Cl 4459114 BYTOKVVAIGSKJU-JZJYNLBNSA-N 361.850 4.578 30 40 FJEB COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)cc1 5463728 MWJHKCZLOUVYSE-LDADJPATSA-N 352.459 4.710 30 40 FJEB Cc1c(C#N)c(NC(=O)c2ccccc2Cl)n(Cc2ccccc2)c1C 5724513 NDOYXMKUYYKUFL-UHFFFAOYSA-N 363.848 4.931 30 40 FJEB O=C(O)c1ccc(COc2ccccc2/C=N/OCc2ccccc2)cc1 15013503 LEGACIYNUPJCTF-OEAKJJBVSA-N 361.397 4.515 30 40 FJEB CCOC(=O)C1=C(C)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 19890817 PWAZDXWQDRIJAP-KRWDZBQOSA-N 373.880 4.507 30 40 FJEB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931309 OXHFKWFVXTYEGN-QCSZUPTKSA-N 374.565 4.514 30 40 FJEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1 225124999 OHBQYRQLADMNMH-UHFFFAOYSA-N 371.483 4.922 30 40 FJEB CCCCCCCCCNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408710062 NLTIDJBOBYNHJX-UHFFFAOYSA-N 352.563 4.574 30 40 FJEB CCn1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c2ccccc21 408899682 VJDCJMSDFSNTHJ-UHFFFAOYSA-N 374.484 4.704 30 40 FJEB COc1ccc(/C(C)=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 409056589 SCQBUUOADDWNIX-UDWIEESQSA-N 368.418 4.563 30 40 FJEB CCCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O 2261533 IYNBRGFSEBBXPZ-UAQCVPFCSA-N 369.490 4.612 30 40 FJEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c(C)c1 3082630 POQSDPDGNSUYCZ-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB Cc1nc(-c2ccccc2)sc1C(=O)Nc1sc(C)c(C)c1C#N 7996213 OYBDUUUORKYTIH-UHFFFAOYSA-N 353.472 4.921 30 40 FJEB Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(C#N)cc2)s1 8062760 NRSWGSDTPLGKPW-UHFFFAOYSA-N 360.482 4.813 30 40 FJEB O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)c1ccco1)c1ccccc1N2 12652253 DHDMWIIPIGKSDE-NRFANRHFSA-N 374.396 4.693 30 40 FJEB ClC(/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1)=C/c1ccccc1 13689418 BDPSNXCQQWFUHW-CVQPQMNISA-N 374.315 4.723 30 40 FJEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 34897807 BHROTGGLKRYZRV-PEZBUJJGSA-N 372.399 4.931 30 40 FJEB CCCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(OC)cc1 97466978 BRTSKWLBWPWUAT-RABLAQOOSA-N 352.459 4.709 30 40 FJEB CC(C)(C)c1ccc2c(c1)[C@](O)(c1ccccc1)[C@@H]1O[C@]1(C(C)(C)C)C2=O 1570325 FCPOGDZEICKPOF-TUACAJSNSA-N 364.485 4.600 30 40 FJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 4033527 WCPJLXBBBICSKX-GOSISDBHSA-N 359.473 4.750 30 40 FJEB Clc1ccccc1COc1ccc2ccccc2c1/C=N/c1nnc[nH]1 6829876 HNTUQTWJTIPZEV-SSDVNMTOSA-N 362.820 4.941 30 40 FJEB C=CCc1cc(CO)cc(OC)c1OCc1ccc(Cl)cc1Cl 409110761 GNXQCXPRLFMRGR-UHFFFAOYSA-N 353.245 4.802 30 40 FJEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)c1ccc(F)cc1 1079147 RTXGAAZJTFJADZ-UHFFFAOYSA-N 354.431 4.796 30 40 FJEB CCn1c(/N=C/c2ccc(OC)c3cccc(OC)c23)nc2ccccc21 1188019 XHVMKDHBXCDQGK-OEAKJJBVSA-N 359.429 4.977 30 40 FJEB N#Cc1ccc(COc2ccc(Br)cc2Br)cc1 3252257 VXGJRBIQEISCQB-UHFFFAOYSA-N 367.040 4.662 30 40 FJEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1 4076750 JWBCXWIWJWMVEC-JLHYYAGUSA-N 369.399 4.970 30 40 FJEB C=C[C@H](C/C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 16926637 PBVVVCSDMBFICK-RMENWYJGSA-N 354.366 4.651 30 40 FJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cccc2ccccc12 20012990 MEXQCNKWIKPYSV-HNNXBMFYSA-N 369.424 4.895 30 40 FJEB C=CCc1cc(/C=N/c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)O 59678490 TUIAHBLDGZGRRU-YDZHTSKRSA-N 367.445 4.761 30 40 FJEB Cc1ccccc1COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1 96839859 SEMYNHNWGLQPBQ-JCMHNJIXSA-N 369.420 4.919 30 40 FJEB CCCCCCCC(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 103114752 QSDJHGKNAIBGBC-UHFFFAOYSA-N 357.450 4.518 30 40 FJEB C=CCCC(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 211131938 MMQDCJRKRJSKMO-UHFFFAOYSA-N 350.447 4.853 30 40 FJEB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(CC#N)cc1 225677842 JAZYGFAVRSDTEX-SFHVURJKSA-N 365.502 4.650 30 40 FJEB Cc1ccc(-c2ccc(C(=O)n3cc(C#N)c4ccccc43)o2)cc1[N+](=O)[O-] 226361904 KMELVIWZJVECNK-UHFFFAOYSA-N 371.352 4.678 30 40 FJEB C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccccc1 409119470 PTWJUEMCOJCAPU-UHFFFAOYSA-N 356.516 4.986 30 40 FJEB CCCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O 2260937 JDGUPUAAQACHJI-VGCKYNLESA-N 371.531 4.772 30 40 FJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccc(Cl)s1 5634863 KUEGHNSFXWVHEK-XFFZJAGNSA-N 355.271 4.947 30 40 FJEB COc1ccc(/C(C)=N/Nc2cc(C)c3cc(Cl)ccc3n2)c(O)c1 7065082 VLRKDUSODQWLTQ-WSDLNYQXSA-N 355.825 4.747 30 40 FJEB O=C(O)c1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1 59302853 YVHPYCRTVWMFLJ-UDWIEESQSA-N 369.218 4.689 30 40 FJEB C[C@H](c1ccccn1)N(C)Cc1cccc(OCc2ccccc2C#N)c1 96003601 YJGBRPGAQBAIFW-GOSISDBHSA-N 357.457 4.725 30 40 FJEB CC(C)NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1 408815638 XLPKGQFMJXWPRW-FBHDLOMBSA-N 365.260 4.647 30 40 FJEB C=CCN(CC=C)C(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 1083387 MJILCRFPOUYUER-UHFFFAOYSA-N 366.244 4.980 30 40 FJEB NC(=O)COc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 1095483 BHALVAMCAQHQRJ-AFUMVMLFSA-N 370.408 4.715 30 40 FJEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc(Cl)cc1 2441124 RRAWWQCBVFWXMV-ZDLGFXPLSA-N 366.756 4.768 30 40 FJEB CCOc1ccccc1/N=C1\SC[C@@H](C)N1C(=O)c1ccccc1C 2658393 ZBCVMDJBZPNOED-MSVBSMQLSA-N 354.475 4.659 30 40 FJEB C=CCn1c(SCc2c(F)cccc2F)nnc1-c1ccc(F)cc1 4196790 JCPYXXVXKYAILO-UHFFFAOYSA-N 361.392 4.841 30 40 FJEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)cc1OC 4676011 GENRVDWXYBDRMH-UDWIEESQSA-N 353.447 4.582 30 40 FJEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c(OC)c1 5975352 GSOWYKRXJZKJOD-DHZHZOJOSA-N 352.361 4.999 30 40 FJEB Cc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1C 12563246 WACLMPIGRGZHHF-OAHLLOKOSA-N 367.518 4.945 30 40 FJEB O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1cccs1 13787242 DDBGPEKNUQWLTI-WQLSENKSSA-N 354.378 4.659 30 40 FJEB CCCCCCCCCCCCCCC[n+]1ccn(C/C(N)=N/O)c1 102296373 LOUGKXZQUXVWOL-UHFFFAOYSA-O 351.559 4.613 30 40 FJEB Cc1cccc(C)c1N/C(S)=C(/C(=O)c1cccs1)[n+]1ccccc1 3376930 YVCNVCAVELTAQD-UHFFFAOYSA-O 367.519 4.703 30 40 FJEB N#C/C(=N\Nc1ccc(SC(F)F)cc1)c1nc2ccccc2s1 5447380 ROYHNTZLWQCQSH-LPYMAVHISA-N 360.414 4.951 30 40 FJEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6638162 DJLCVGJYXQEBEQ-SNVBAGLBSA-N 368.742 4.636 30 40 FJEB COc1cc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)ccc1O 59461363 ODHMODHQVHTDJX-CLBJDOSESA-N 368.414 4.591 30 40 FJEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2F)cc1 408593055 OOHZMFKANSETHQ-AFUMVMLFSA-N 360.388 4.827 30 40 FJEB CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1 408856927 IELIVDRROMSRNY-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB O=C(/C=C/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 721391 NXWBKXGHLQGSQE-MDZDMXLPSA-N 361.272 4.512 30 40 FJEB Cc1cc(Oc2coc3cc(OCC#N)ccc3c2=O)cc(C)c1Cl 1915114 GWYPMEFBYDUXQZ-UHFFFAOYSA-N 355.777 4.758 30 40 FJEB C=CCN(C(=O)CSc1ccccn1)c1nc(-c2ccccc2)cs1 5622484 BRJIKCNLPIECNY-UHFFFAOYSA-N 367.499 4.516 30 40 FJEB Cc1occc1-c1nnc(SCc2ccc(C#N)cc2)n1-c1ccccc1 5883708 KSUKXAUILSFQLL-UHFFFAOYSA-N 372.453 5.000 30 40 FJEB Cc1ccc(NC(=O)O/N=C(\c2ccccc2)[C@H](O)c2ccccc2)cc1 6923061 SNYCOZNMVPTUMF-KWLPWJRRSA-N 360.413 4.681 30 40 FJEB C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12854074 IHYNHBDRMNEGGM-LBPRGKRZSA-N 373.909 4.981 30 40 FJEB Cc1nc(C)c(C(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)s1 28540166 NTNPSLJDUAICEH-UHFFFAOYSA-N 361.517 4.554 30 40 FJEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(C(=O)OCC(C)C)cc1)C2 100258413 PIEDCAONCSKOEF-HTAPYJJXSA-N 355.478 4.820 30 40 FJEB N#Cc1c(/N=C/c2ccc([N+](=O)[O-])o2)oc(-c2ccco2)c1-c1ccco1 409380061 GOVWYSSWLBSJJA-KEBDBYFISA-N 363.285 4.923 30 40 FJEB NC(=O)Cn1cc(/C=N/c2ccc(-c3ccccc3)cc2)c2ccccc21 409385071 IQTAPVIFLKEBQI-AFUMVMLFSA-N 353.425 4.544 30 40 FJEB Cc1cc2oc(=O)cc(CSc3nc(C)c(C)c(C)c3C#N)c2cc1C 7059549 FYRMDDZXNXHJTR-UHFFFAOYSA-N 364.470 4.894 30 40 FJEB C=C(C)Cc1c(OC)ccc2c1c1ccnc3c4ccccc4c(=O)n2c13 8764708 JKCQDNNWZHKLIR-UHFFFAOYSA-N 354.409 4.719 30 40 FJEB biogenic C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccc(OC)cc2)c(O)c1 18090893 JPFZAWURYODODY-UHFFFAOYSA-N 352.390 4.538 30 40 FJEB COc1cc(OC)cc(C(=O)/N=C(\c2ccccc2)c2ccc(C)cc2)c1 25501483 AXRZANCIXJDDKQ-ZNTNEXAZSA-N 359.425 4.690 30 40 FJEB Cc1cc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2cc1C 34791557 UDNSHVFBRQATDS-UGSOOPFHSA-N 367.518 4.510 30 40 FJEB CCOc1ccc2cc(C#N)c(SCC(=O)c3ccc(C)cc3)nc2c1 35288714 AOEJHTPMLPCSBJ-UHFFFAOYSA-N 362.454 4.789 30 40 FJEB CCCCCCCCCCC(Nc1nncs1)Nc1nncs1 104267175 RDVLRPYZKVGTEO-UHFFFAOYSA-N 354.549 4.771 30 40 FJEB CC(C)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408905285 WQFNNIIGZMMGJM-VCHYOVAHSA-N 365.214 4.871 30 40 FJEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccncc1 409052179 IPKRCEYFDJLLPH-RGVLZGJSSA-N 373.279 4.804 30 40 FJEB COc1cccc(/N=C2/c3ccccc3C(=O)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 4859707 IETWJJNVSFFKQL-ZQKSFYQXSA-N 372.380 4.704 30 40 FJEB CCCC(=O)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1 5501735 IATLQDYKMKTOJA-YBFXNURJSA-N 361.239 4.644 30 40 FJEB Cc1ccc(C(=O)O/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 5745534 HDFFBJNOOQEXIM-QLYXXIJNSA-N 365.392 4.528 30 40 FJEB Cc1ccc([C@@H](CC(=O)O)/N=C(\O)c2ccccc2C(F)(F)F)cc1 13178532 FAEYBJKHXOSSSH-OAHLLOKOSA-N 351.324 4.534 30 40 FJEB CCCC/N=c1/scc(-c2cccs2)n1/N=C/c1ccc(C#N)cc1 103454753 LEPXYJOLDMXLGD-WLHWSHHZSA-N 366.515 4.733 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OC(C)C)S2)c(C)c1 408600836 GMGZTXGFUXOKNY-UNOMPAQXSA-N 366.486 4.982 30 40 FJEB C=CCSc1nc(SC)nc2sc3c(c12)C[C@@](C)(CC)OC3 2229498 WLUUSANOIKXNNL-MRXNPFEDSA-N 352.550 4.933 30 40 FJEB N#CCCn1cc(C(=O)Nc2ccc(F)cc2)c(-c2cc3ccccc3o2)n1 4510919 DWYSQXSGAZSSOW-UHFFFAOYSA-N 374.375 4.601 30 40 FJEB N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NCc1ccco1 5252764 ZIEWYOSGDYEMNQ-UHFFFAOYSA-N 364.188 4.637 30 40 FJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 13618744 KZGFBKBYFVHSFY-LGMDPLHJSA-N 353.468 4.657 30 40 FJEB N#Cc1ccsc1NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 25125498 OZZDYZWWWCDLMD-UHFFFAOYSA-N 359.863 4.578 30 40 FJEB O=[N+]([O-])c1cc(/N=C/c2c[nH]c3ccc(Br)cc23)ccc1F 3242323 IYPFDMVCPDMTOH-CNHKJKLMSA-N 362.158 4.728 30 40 FJEB CCN(CC)c1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 5231529 MRUBBNGMKCUKPA-CXUHLZMHSA-N 362.473 4.556 30 40 FJEB FC(F)Oc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 5600431 XGAAZWQZDPCCRW-GEVRCRHISA-N 365.689 4.801 30 40 FJEB C(=N/Nc1ccccn1)\c1sc(N2CCCCC2)nc1-c1cccs1 6831405 PWEOYHPROLYOAR-DEDYPNTBSA-N 369.519 4.703 30 40 FJEB CC(=O)c1cc(C#N)c(SCc2ccc(OC(F)(F)F)cc2)nc1C 24766726 NJJCREZLKBGUED-UHFFFAOYSA-N 366.364 4.655 30 40 FJEB CCOc1ccc2oc(C(=O)Nc3sc(C)c(C)c3C#N)c(C)c2c1 28886427 OBZRMHBUDQFPTE-UHFFFAOYSA-N 354.431 4.942 30 40 FJEB CCOC(=O)c1ccc(/N=C\c2c(O)ccc3oc4c(c23)CCCC4)cc1 100216168 JVRZHGUYZDWOGC-QRVIBDJDSA-N 363.413 4.945 30 40 FJEB CCCCCCCCC/C=C/C(=O)Nc1ccc(N2CCNC2=O)cc1 100708898 XFBYGJRQFCMTLC-ZHACJKMWSA-N 357.498 4.852 30 40 FJEB O=S(=O)(Oc1cccc(/C=N\c2ccccc2)c1)c1ccc(Cl)cc1 409211455 NVXDBTCOINNBRQ-STZFKDTASA-N 371.845 4.858 30 40 FJEB C=CCn1c([C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21 4033410 YYDPKDRXELAFAU-SFHVURJKSA-N 359.473 4.668 30 40 FJEB COc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c([N+](=O)[O-])c1 4909288 JJICMVIHFJFTAH-RGVLZGJSSA-N 370.796 4.502 30 40 FJEB COc1ccc(-n2c(SCCC#N)nnc2-c2ccccc2Cl)cc1 8752831 ZECBEDVVFBTQEN-UHFFFAOYSA-N 370.865 4.602 30 40 FJEB N#Cc1c(NC(=O)c2ccc(SC(F)F)cc2)sc2c1CCC2 10390889 KSDYBKBOSVZMQT-UHFFFAOYSA-N 350.415 4.675 30 40 FJEB N#Cc1ccccc1-c1ccc(COc2nnc(-c3ccccc3)o2)cc1 58733259 ALENRCDCTZMLIZ-UHFFFAOYSA-N 353.381 4.854 30 40 FJEB COc1cc(/C=C/C(=O)c2nc3c(s2)CCCC3)ccc1OC(F)F 89426986 RHXNJBDVAPJOPZ-SOFGYWHQSA-N 365.401 4.528 30 40 FJEB O=C1NC(=Nc2ccccc2Cl)S/C1=C/c1cc(Cl)ccc1O 408722188 QZZQIKSTIRWFLP-RIYZIHGNSA-N 365.241 4.591 30 40 FJEB COc1cc(/C=N\c2ccccc2C)ccc1OCc1ccc(C(=O)O)o1 409386702 WTRKFWUOFRNABE-UUYOSTAYSA-N 365.385 4.624 30 40 FJEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN 4045707 YVRGGQGTYCXNRE-BZNRXQDOSA-N 359.510 4.623 30 40 FJEB biogenic C[C@H](Oc1ccccc1F)c1nnc(SCc2ccc(C#N)cc2)o1 7137716 SPHQUHLPCXFEIP-LBPRGKRZSA-N 355.394 4.513 30 40 FJEB Oc1ccccc1-c1nc(C(F)(F)F)cc(C(F)(F)C(F)(F)F)n1 98008917 UGPAXTCIHKJKMO-UHFFFAOYSA-N 358.188 4.522 30 40 FJEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1 225140040 QJLCBQRPXZVJGL-UHFFFAOYSA-N 355.484 4.796 30 40 FJEB C=CCOc1cccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 225791529 PCKWTGYILUPDIJ-QGZVFWFLSA-N 370.518 4.622 30 40 FJEB C/N=C1/S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)N1C 408928722 DXXUFVTVTPOOKP-DNCSRFGUSA-N 373.909 4.588 30 40 FJEB COC(=O)c1cccc(/N=C/c2ccc(N3CCCCC3)cc2OC)c1C 409243125 YSRSAVOYNWIVFC-HZHRSRAPSA-N 366.461 4.531 30 40 FJEB CCCCCCCC(=O)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 2062997 WNFWJLDJVRDOHJ-UHFFFAOYSA-N 365.429 4.753 30 40 FJEB CC(C)[C@@](O)(CC#CCN1C[C@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1 2101267 MNBYKMIRWHPDPD-JRFVFWCSSA-N 353.550 4.824 30 40 FJEB biogenic O[C@](C#CCN1CC[C@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 2280894 ZKEKBMWWMAZJKJ-JYFHCDHNSA-N 373.540 4.947 30 40 FJEB C=C(C)COc1ccc2c(C)c(-c3cc(OC)ccc3OC)c(=O)oc2c1 4088268 DKIIIHOCLANERD-UHFFFAOYSA-N 366.413 4.741 30 40 FJEB biogenic N#Cc1ccc(COC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 12660839 JPEFJLKLGOBXGS-UHFFFAOYSA-N 365.392 4.525 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1 18181839 NRHBLGFDHIYWKL-LJQANCHMSA-N 355.437 4.624 30 40 FJEB CCN(C(=O)CSc1ccc(F)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 45500043 XZEVEAAJVCRWGL-ZDUSSCGKSA-N 360.429 4.538 30 40 FJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1ccc(CC)cc1 97104908 WAUKJXJEZPVOOD-IRLDBZIGSA-N 366.432 4.707 30 40 FJEB C[C@@H]1CCCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)C1 225866166 VDDHUCLTABEBJW-GFCCVEGCSA-N 363.292 4.533 30 40 FJEB CCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1 780240 VQSVQLMJUJINGU-UHFFFAOYSA-N 365.473 4.519 30 40 FJEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccc(Cl)c(Cl)c1 17248881 OLZXVRRPFPTWTD-UHFFFAOYSA-N 372.275 4.579 30 40 FJEB N#Cc1ccc(NC(=O)CSCc2ccc(Cl)s2)cc1Cl 32893936 YYFZTERHBNIYMA-UHFFFAOYSA-N 357.287 4.798 30 40 FJEB O=C(/C=C\c1sccc1C1OCCO1)c1cccc(C(F)(F)F)c1 33376732 CZTDQOJHSWOWPF-PLNGDYQASA-N 354.349 4.708 30 40 FJEB Cc1ccc2c(CC(=O)Nc3cccc(OCCCC#N)c3)coc2c1C 55568092 ONOZKLUNJTYOKC-UHFFFAOYSA-N 362.429 4.913 30 40 FJEB Fc1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)c(F)c1 408600932 HJZGVUISIROIEB-SRZZPIQSSA-N 357.385 4.545 30 40 FJEB CCCOc1cccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c1 4535181 OOSSQPORFNJHOX-UHFFFAOYSA-N 365.473 4.519 30 40 FJEB CC1(C)CC(=O)c2c(oc(=O)c(C#N)c2-c2c(Cl)cccc2Cl)C1 5705906 CRQYDRSXLFWGGW-UHFFFAOYSA-N 362.212 4.640 30 40 FJEB Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccccc1)[n+]1ccccc1 13081310 YTWAHDUXQJDCJM-UHFFFAOYSA-O 361.490 4.642 30 40 FJEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(C)cc1 17075137 UKVMFDYDSCAMNT-UHFFFAOYSA-N 365.502 4.664 30 40 FJEB CC(/C=C1/[C@H]2CC[C@H](C2)C1(C)C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 31829609 ZZQQYNWQXYKHDG-IMUYQDRUSA-N 358.398 4.673 30 40 FJEB COc1cccc(/C=C/C(=O)c2cc(Br)ccc2F)c1OC 83975860 FXKZCERBGBOTNZ-RMKNXTFCSA-N 365.198 4.502 30 40 FJEB OC1=NC(=N\c2cccc(F)c2)/C(=C\c2ccc3nccnc3c2)S1 95479453 IDRYOYUXKKQLHV-CXUHLZMHSA-N 350.378 4.501 30 40 FJEB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C#N 225798610 GAIMMJAFZBERCG-UHFFFAOYSA-N 360.498 4.763 30 40 FJEB CN(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 709482 BVVGOZXCCSHYKV-XMMPIXPASA-N 369.468 4.974 30 40 FJEB CCCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 4557679 LXSVPEJESGJWBC-UHFFFAOYSA-N 368.502 4.859 30 40 FJEB Oc1ccc(/N=C\c2ccc3c(c2)OCO3)cc1-c1nc2ccccc2o1 5605058 GYSFICACBLZNSS-JJFYIABZSA-N 358.353 4.680 30 40 FJEB O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 6338862 MELARYZKMMJFQJ-FPYGCLRLSA-N 353.708 4.746 30 40 FJEB N#C[C@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 7715558 KRDPYVXWILIVEH-CQSZACIVSA-N 368.845 4.789 30 40 FJEB C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C)cc1 14087875 QZTKODVNXKXUAV-UHFFFAOYSA-N 351.475 4.644 30 40 FJEB CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1 15010402 LBWBXBATWYAAST-CJGMICOPSA-N 367.430 4.609 30 40 FJEB Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1)C1=C(CCCC1=O)O2 18196572 RODZZNNYKKIVIG-QFIPXVFZSA-N 370.452 4.771 30 40 FJEB O=C(/C(=N\N=C/c1ccc2c(c1)CCC2)c1ccccc1)c1ccccc1 19891364 KBNYSQWJFBNBIO-TXRKAJQRSA-N 352.437 4.881 30 40 FJEB N=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@H]1c1nccs1 33708853 NESHSZKCFWCNAH-FDMSUBTMSA-N 355.271 4.868 30 40 FJEB Cc1nc(/C(=C\c2ccc(C#N)cc2)Oc2ccc(C(=O)O)cc2)cs1 40088376 YIOJUIIGDIMDKQ-VXLYETTFSA-N 362.410 4.599 30 40 FJEB Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 40146060 BZODOECYOMRIQK-NYYWCZLTSA-N 352.821 4.549 30 40 FJEB COc1ccc(-n2cnc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc32)cc1 972596 UPYUQPSHVRZYSD-LPYMAVHISA-N 372.384 4.693 30 40 FJEB COc1ccc(OC)c(C(=O)C2=C(c3cc(OC)ccc3OC)CCC2)c1 1755207 SQJGBVPQYOCLAE-UHFFFAOYSA-N 368.429 4.541 30 40 FJEB O=[N+]([O-])c1ccc(-c2csc(N/N=C\c3ccccc3Cl)n2)cc1 36020252 WQBFEDKQLYLNNF-NVMNQCDNSA-N 358.810 4.818 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C2\CCCC\C2=C\c2ccccc2)c([N+](=O)[O-])c1 104183161 NYAUQRQETLBWBV-XHZZNZTISA-N 366.377 4.929 30 40 FJEB CCS[C@@H](C)C[C@H]1CC(=O)C(C(CC)=NOC/C=C/Cl)=C(O)C1 1772769382 SILSDTWXNBZOGF-GHSZZOJDSA-N 359.919 4.844 30 40 FJEB C=C(Cl)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 6624444 JVFDBMHVNJIXAZ-UHFFFAOYSA-N 360.800 4.723 30 40 FJEB biogenic C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 12377734 IANXRPRDMVWHSY-LGMDPLHJSA-N 353.468 4.657 30 40 FJEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\c2cccc(C)c2)cc1 12461882 XCZJIMDUNSZDQU-JCMHNJIXSA-N 365.454 4.822 30 40 FJEB C=C(Cl)CS[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12989940 UGHFQDHTBLDZSV-VIFPVBQESA-N 352.868 4.791 30 40 FJEB C/C(=N\Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 19226912 KETRZZXLPXHXGY-YDZHTSKRSA-N 361.367 4.668 30 40 FJEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2cccc(F)c2)o1 28230977 IQQXIGDEFVOGAC-UHFFFAOYSA-N 351.377 4.979 30 40 FJEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O 36093487 JBUGQCOLYBOLRA-WLDAGKKMSA-N 365.502 4.629 30 40 FJEB COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OC(C)C 53278214 HIJPGVODDAYZMK-UHFFFAOYSA-N 373.456 4.974 30 40 FJEB CC(=O)Nc1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(C#N)cc1)N2 100195655 OILWODRAFQCEER-YTQSOXLISA-N 357.457 4.813 30 40 FJEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 100288962 UFIOWZBOCPFQCI-FQEVSTJZSA-N 369.464 4.933 30 40 FJEB CCn1c(SCc2ccccc2C#N)nnc1-c1ccccc1Cl 216032790 MDTKYZQMVSQJSR-UHFFFAOYSA-N 354.866 4.782 30 40 FJEB C#CCn1cc(CNc2ccc(Br)cc2C)c2ccccc21 408612450 WCHBGVDWDKSGAU-UHFFFAOYSA-N 353.263 4.958 30 40 FJEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)SC1=S 408813580 DFRTZNKYQMKUAL-YVLHZVERSA-N 372.490 4.620 30 40 FJEB O=C1C(=Cc2ccccc2OCc2ccccc2F)C(=O)c2ccccc21 408908405 CGGPKXMNNMQFRV-UHFFFAOYSA-N 358.368 4.867 30 40 FJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 409092932 XWXSBMVSQBBHLC-CPNJWEJPSA-N 365.454 4.796 30 40 FJEB Cc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c1O 5548809 UATGBOBOLCJAQT-LPYMAVHISA-N 362.385 4.656 30 40 FJEB C=CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)SC1=S 6503183 UDWOQLUHIBVSAP-SDNWHVSQSA-N 359.497 4.818 30 40 FJEB O=C1/C(=N/Nc2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1 6889811 ZDZXRXSDSLVXQS-HIXSDJFHSA-N 361.832 4.703 30 40 FJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1 8811436 ORJLICQUTMKJDD-CIAFOILYSA-N 355.781 4.632 30 40 FJEB CCOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1OC 12562131 PXLCHWIWODMIJG-WSDLNYQXSA-N 355.825 4.742 30 40 FJEB CC(=O)C1=C(C)N[C@@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl 19331714 UIMMOGUGGQCJRK-RBUKOAKNSA-N 361.272 4.789 30 40 FJEB O=C(/C(=N/N=C\c1ccc2c(c1)CCC2)c1ccccc1)c1ccccc1 19891366 KBNYSQWJFBNBIO-QSEVEHSSSA-N 352.437 4.881 30 40 FJEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 30940779 WOYBAHBPAHADPW-UHFFFAOYSA-N 364.489 4.736 30 40 FJEB O=C(O)c1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1 409234020 XTIYYEFCLDGHKE-NDENLUEZSA-N 369.218 4.689 30 40 FJEB Cc1cccc(COc2ccc(/C=C3/C(=O)ON=C3c3ccccc3)cc2)c1 4685309 JFJXBVYSRCKPPA-PXLXIMEGSA-N 369.420 4.919 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccc(C)cc1 7457161 UPLVUAKHZJXIIO-KLPPEWMLSA-N 365.502 4.685 30 40 FJEB COc1ccc(Cl)cc1C(=O)O/N=C/c1ccccc1C(F)(F)F 8306363 UWXHMNJHBDBLQZ-ZVBGSRNCSA-N 357.715 4.558 30 40 FJEB O=C1Nc2ccc(Br)cc2/C1=N/c1cccc(C(F)(F)F)c1 16386081 ZMPQKLNTQNBVKA-UHFFFAOYSA-N 369.140 4.541 30 40 FJEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(C)c1 35305692 DSYQVXDOZLSUPX-JJIBRWJFSA-N 350.422 4.906 30 40 FJEB Cc1ccc(C(=O)/C=C/Nc2ccc(NC(=O)c3ccco3)cc2)cc1C 44844028 XWSQHUGAQKXRIH-VAWYXSNFSA-N 360.413 4.957 30 40 FJEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N1CCC(Oc3ccccc3F)CC1)C2 100731123 JGESHDRSJPUELM-ZHRRBRCNSA-N 357.469 4.578 30 40 FJEB COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 225761440 UYTNBGMLJIKMKZ-UHFFFAOYSA-N 352.409 4.547 30 40 FJEB CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1cc(C)ccc1C 408905859 FUYZLSZIZHNFME-NFYBBCHUSA-N 366.486 4.936 30 40 FJEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(O)cc1 4740372 GGNWDTULILJHDJ-AIKVESQPSA-N 364.445 4.544 30 40 FJEB Cc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682419 RFYNERGQWHJBKU-NLRVBDNBSA-N 367.496 4.717 30 40 FJEB C=C(Cl)COC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 22988995 BAMZXISYXBWSMY-UHFFFAOYSA-N 362.838 4.786 30 40 FJEB C=CCOc1cccc(NC(=S)NCCCc2ccc(OCC)cc2)c1 225623116 VGYBNSFJNHLJBQ-UHFFFAOYSA-N 370.518 4.569 30 40 FJEB CCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1 408737994 HMFBWVWWLMFOHC-YVLHZVERSA-N 372.877 4.939 30 40 FJEB C=CCSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 2366923 SCAQKYHBMBQRHP-UHFFFAOYSA-N 356.472 4.592 30 40 FJEB C=C(C)COc1ccc2oc(=O)c(-c3cc(OC)ccc3OC)c(C)c2c1 4087727 RXDZERJZBLPGGQ-UHFFFAOYSA-N 366.413 4.741 30 40 FJEB biogenic COc1ccc(-n2c(SCCC#N)nnc2-c2ccc(Cl)cc2)cc1 5898666 VCYLJPZEIKQZNL-UHFFFAOYSA-N 370.865 4.602 30 40 FJEB CCCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197044 RINIVJOKWVWBRG-SRZZPIQSSA-N 367.276 4.915 30 40 FJEB CCCCCCCCCCCCCC(=O)N1C(=O)CC[C@@H]1C(=O)OCC 97950424 JIONFXUBSSXTPH-GOSISDBHSA-N 367.530 4.768 30 40 FJEB Cc1ccc(S(=O)(=O)OCC2c3ccccc3-c3ccccc32)cc1 114139688 IAUVDQGKZHZCQI-UHFFFAOYSA-N 350.439 4.513 30 40 FJEB in-vitro FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(-c2ccccc2)o1 409038379 OPMDCWXAOJWSES-UYOCIXKTSA-N 354.225 4.661 30 40 FJEB C#CCOc1c(Cl)cc(/C=C2\Cc3ccccc3C2=O)cc1OCC 409367602 BLAUWBBPPBGALU-MHWRWJLKSA-N 352.817 4.573 30 40 FJEB Cc1cc(N[C@H](c2cc(F)cc(Br)c2)C2CC2)ncc1C#N 1186213177 TYMWRQMRQDXZSH-KRWDZBQOSA-N 360.230 4.727 30 40 FJEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN[C@H](C)CCc4ccco4)[C@@H]3C[C@H]12 6824181 YKAOGMQSLHIEKX-WXVKEMSFSA-N 371.521 4.505 30 40 FJEB biogenic O=C(C[n+]1ccccc1-c1nc(-c2ccccc2)cs1)c1ccccc1 8844860 BGGYECQBZCUZEB-UHFFFAOYSA-N 357.458 4.648 30 40 FJEB Cc1cc(Br)ccc1/N=C/c1cc(Br)ccc1O 44835873 FQNZIRXUFLFRBJ-CAOOACKPSA-N 369.056 4.976 30 40 FJEB O=c1c2ccccc2nc(-c2ccccc2)n1N=C/C=C/c1ccccc1 256007026 VNDNIMFLUHWVAS-SFPPZFBDSA-N 351.409 4.611 30 40 FJEB COc1ccccc1/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408542629 MQTGKPNALCJAML-FSJBWODESA-N 374.396 4.740 30 40 FJEB CCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408906180 ASYAQVVEZGTVGH-YWKYIXQJSA-N 367.430 4.609 30 40 FJEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1 409053125 XOJBSRPOUUKPDD-RGVLZGJSSA-N 356.382 4.694 30 40 FJEB N#C[C@@]1(c2ccccc2)CCc2c(sc3ncnc(N4CCCCC4)c23)C1 717335 QEHVYEYGVKNYEY-JOCHJYFZSA-N 374.513 4.632 30 40 FJEB S=c1[nH]nc(C2CCCCC2)n1/N=C\c1ccc(Br)cc1 1475373 QOZCMFXWKNOFGW-YVLHZVERSA-N 365.300 4.633 30 40 FJEB Cc1ccc(COc2ccc(/C=N\OCC(=O)Nc3ccccc3)cc2)cc1 33653637 YMMJRGQWUARELU-IWIPYMOSSA-N 374.440 4.563 30 40 FJEB CC(C)(C)[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1cccs1 44520358 TVLMKWMLFZFJPT-GOSISDBHSA-N 358.532 4.757 30 40 FJEB N#Cc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1093624 HGCIKPZIHLFRGF-ZVHZXABRSA-N 356.381 4.586 30 40 FJEB N#Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)o2)c1 6476737 QOTYNLVAXSZPQZ-UHFFFAOYSA-N 357.438 4.978 30 40 FJEB N#CCCn1c(SCC(=O)c2ccc(Cl)s2)nc2ccccc21 12537890 VNVOAHGIDFCPKZ-UHFFFAOYSA-N 361.879 4.640 30 40 FJEB Cc1cc(SCCOc2ccccc2)n2c(nc3ccccc32)c1C#N 12540638 DRDKSZNKMMQUMM-UHFFFAOYSA-N 359.454 4.839 30 40 FJEB O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cccc2ccccc12 13590107 LNOUOENNNXOQIN-SFHVURJKSA-N 366.873 4.955 30 40 FJEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccccc1Cl 16956500 JBCJSRYWSIYNKE-UHFFFAOYSA-N 372.275 4.579 30 40 FJEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20482599 YIJKPGUTHDWZRR-UHFFFAOYSA-N 364.489 4.736 30 40 FJEB Cc1cccc(OCCn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)c1 225861977 WHAZHRVIYMKYCH-UHFFFAOYSA-N 365.864 4.574 30 40 FJEB Cc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3ccccc3n2)o1 2655169 AJSZYLNHJDOPJC-UHFFFAOYSA-N 353.381 4.927 30 40 FJEB CC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 5791251 QZOYHFUJRYHEAO-ILZOBUCISA-N 371.893 4.584 30 40 FJEB Cc1cccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1C 12556170 IIQQIZCNIHFODA-OAHLLOKOSA-N 367.518 4.945 30 40 FJEB C/C(=C\N1CCN(c2ccc(Cl)cc2)[C@H](C)C1)C(=O)c1ccccc1 17064251 ARDCRVXWCKCOQA-FYPAKXHLSA-N 354.881 4.637 30 40 FJEB C=C(C)COc1ccc(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)cc1OC 40309921 NNQYRGHKPCVDGI-INIZCTEOSA-N 357.837 4.582 30 40 FJEB biogenic C=CCn1c(SCCCCC#N)nc2sc3c(c2c1=O)CC[C@H](C)C3 84700306 TZBHFWSZERKTQY-ZDUSSCGKSA-N 373.547 4.555 30 40 FJEB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(CC#N)cc1 225677867 JAZYGFAVRSDTEX-GOSISDBHSA-N 365.502 4.650 30 40 FJEB CCOc1ccccc1/N=C\c1cc(Br)c(Br)o1 408949808 CHLLFDYRSGFHFE-PXNMLYILSA-N 373.044 4.954 30 40 FJEB C#CCOc1ccc2ccccc2c1/C=N/Nc1ccc(C(F)(F)F)cn1 409089913 NNWKJPKUFQSVQU-DHRITJCHSA-N 369.346 4.712 30 40 FJEB COc1ccc(/N=C/c2cc(Br)cc(OC)c2O)cc1Cl 1445064 BPRWAHMXZAYJLX-QGMBQPNBSA-N 370.630 4.576 30 40 FJEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C\c1ccccc1Cl 17024360 USMGBUYIRJSYPG-UCQKPKSFSA-N 359.816 4.599 30 40 FJEB N#CC1(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CCCC1 29013514 VPHBJFHLKZQHSI-UHFFFAOYSA-N 365.380 4.851 30 40 FJEB C=CCn1c(-c2ccccc2Br)cs/c1=N/c1cccnc1 103462398 CLUFOEHLTJPFAL-LVZFUZTISA-N 372.291 4.793 30 40 FJEB O=[N+]([O-])c1ccc(Sc2ncccn2)c(/C=N\c2cccc(Cl)c2)c1 409120206 YQIHVHWNPPXHIZ-NHDPSOOVSA-N 370.821 4.940 30 40 FJEB CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1 4631187 VNIZTSGFSZOVJO-AQTBWJFISA-N 369.465 4.564 30 40 FJEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1c(C)nn(-c2ccccc2)c1Cl 4953197 GEXDZTCPBXXBDG-RGVLZGJSSA-N 354.797 4.801 30 40 FJEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3ccc(O)c(O)c3)cs1)C2 5705975 KCSUPFVUZDVRDD-AHGZLGTFSA-N 357.479 4.835 30 40 FJEB N#C[C@H](C(=O)CSc1ccccc1F)c1nc(-c2ccccc2)cs1 12898123 CXPMBVNZHMJNDL-CQSZACIVSA-N 368.458 4.918 30 40 FJEB CC(=O)Nc1ccc(/N=C2\c3ccccc3-c3ccc(NC(C)=O)cc32)cc1 22345900 JZGWSAUNDDJCIE-WNAAXNPUSA-N 369.424 4.753 30 40 FJEB C/C(CC(=O)c1ccccc1)=N/CCC/N=C(\C)CC(=O)c1ccccc1 103061335 FQQYERHFBVGNBV-ZFQRDYFNSA-N 362.473 4.844 30 40 FJEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(F)cc3)S2)cc1 110705142 LXSLPZHITNBWPO-QGOAFFKASA-N 369.465 4.564 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1 408914914 ZSRBWGFWHRHWPZ-XKZIYDEJSA-N 365.364 4.759 30 40 FJEB N#CC[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(C(F)(F)F)c1 1396835 WCWHIMPJSRNIBH-KRWDZBQOSA-N 359.351 4.750 30 40 FJEB CN(C)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1Br 1628751 MGZDXGBMBNPRFV-RVDMUPIBSA-N 356.263 4.728 30 40 FJEB COc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1 4175348 ITALOIVLLFEESJ-JJIBRWJFSA-N 362.458 4.775 30 40 FJEB CC(C)COc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1 33658290 YENKJFOXQKKQLW-UTYDTHAWSA-N 358.488 4.596 30 40 FJEB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C#N 225841024 KKEAIHYIJIYVIN-NRFANRHFSA-N 360.498 4.907 30 40 FJEB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCC1 225851782 LPEUTDQOALDFGK-UHFFFAOYSA-N 358.482 4.661 30 40 FJEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 253501275 QLMXZKMIBONXSF-JTPPEQCGSA-N 354.490 4.926 30 40 FJEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(F)c2)ccc1O 13139121 BIDSGQVRXPFXBI-YDZHTSKRSA-N 361.376 4.605 30 40 FJEB COc1cccc(/C=[N+](\[O-])c2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 80343882 KMELWQCBNIALIM-MYYYXRDXSA-N 371.396 4.673 30 40 FJEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1cccc(Cl)c1Cl 408583905 YOIBNAPVERNXBT-UHFFFAOYSA-N 365.216 4.525 30 40 FJEB COc1ccc2cc(C3=C/C(=N/Nc4ccc(C)cc4)C(=O)O3)ccc2c1 408725061 GRRSWQJGWCJJHS-GFMRDNFCSA-N 358.397 4.523 30 40 FJEB CN1/C(=C/C(=O)/C=C2/Sc3ccccc3N2C)Sc2ccccc21 2708113 VCOHOPZHRNPTSW-VHVWWYSBSA-N 352.484 4.723 30 40 FJEB CCOc1ccc(/C=N/N=c2\[nH]c(-c3ccc(Cl)cc3)cs2)cc1 4859930 ZIDCJKQBUSHBAL-RGVLZGJSSA-N 357.866 4.730 30 40 FJEB CC(=C/c1ccccc1)/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2 5411927 AEIWRXJWGCFDOT-LNVJVORASA-N 353.535 4.509 30 40 FJEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc(Br)c2)S1 5551110 KIDUAKKSCLXHQP-GDNBJRDFSA-N 373.275 4.649 30 40 FJEB COc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(Cl)c3)n2)cc1 6441585 NMANPJMMNJQYQA-KQWNVCNZSA-N 368.849 4.812 30 40 FJEB CCOc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1ccccc1 6960885 AZJCGSAXARHLIP-LFVJCYFKSA-N 374.440 4.853 30 40 FJEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C\c1ccc(Cl)cc1 13553073 NTCGKDFEOMGGGM-AUDIELBWSA-N 371.893 4.502 30 40 FJEB CC/C(C)=N\Nc1nc2cc(C)c(I)c(C)c2s1 45888635 KJSIUJUMJKJQOK-PXNMLYILSA-N 373.263 4.716 30 40 FJEB Cc1ccc(Cl)cc1/N=C/c1ccc(O)c(I)c1 408904538 LCWVWOXSUVSAMZ-CAOOACKPSA-N 371.605 4.709 30 40 FJEB Cc1csc(N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)n1 409061411 WZMIXHXDGXWKPJ-KEBDBYFISA-N 371.849 4.770 30 40 FJEB COc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 4852253 DDLQBABGCMNSBV-OUKQBFOZSA-N 363.438 4.905 30 40 FJEB O=C(O/N=C(\c1ccccc1)c1ccncc1)c1ccc(Cl)cc1Cl 5584458 HYQCGMQYLCLNGC-PTGBLXJZSA-N 371.223 4.998 30 40 FJEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 30940776 YWTJAWCYFUIDMS-UHFFFAOYSA-N 364.489 4.880 30 40 FJEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224721140 PXPDCONYWMPGBS-UHFFFAOYSA-N 365.882 4.509 30 40 FJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 226336037 SVIKKTGFYLBHRZ-PKNBQFBNSA-N 358.821 4.670 30 40 FJEB CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F 408708923 NHZFDQBQLHJJCK-UHFFFAOYSA-N 358.404 4.511 30 40 FJEB CC(=O)c1cccc(/N=C/c2cc(Br)c(Br)o2)c1 408951778 KBPFHDQJGYEIAN-FRKPEAEDSA-N 371.028 4.758 30 40 FJEB C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 1536540766 AMEAIFVDKYWZTK-YCRPNKLZSA-N 371.402 4.887 30 40 FJEB CSc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6080206 NGXRMYLBZIHFIK-QGZVFWFLSA-N 372.877 4.573 30 40 FJEB CCOc1ccc2cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c(Cl)nc2c1 7036892 ZUMKMVWWLFPPFS-RGVLZGJSSA-N 370.796 4.641 30 40 FJEB Cc1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 13941022 ODVWGMMOKQFGKL-ITYLOYPMSA-N 367.496 4.717 30 40 FJEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 16308242 AMEBPNYDAVZDTH-KVDXNUTJSA-N 373.456 4.505 30 40 FJEB N#Cc1c(NC(=O)c2ccc(Br)s2)sc2c1CCCC2 28225511 UAZJXRIEXHPBHG-UHFFFAOYSA-N 367.293 4.575 30 40 FJEB COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1 33927958 XQZVHESVZCKBJB-DGDORRRTSA-N 364.533 4.802 30 40 FJEB COc1ccc(C(=O)/C=C/C2=C(N3CCCCC3)Cc3ccccc32)cc1 55129804 RNGOWLDMNPPYJN-BUHFOSPRSA-N 359.469 4.887 30 40 FJEB O=[N+]([O-])c1ccc(F)c(F)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250441 MZLQOMNUCPQOSW-UHFFFAOYSA-N 355.165 4.962 30 40 FJEB N#Cc1c(NC(=O)c2cc(-c3ccccc3Cl)on2)sc2c1CCC2 815189 KSTXNMJCHXHNKW-UHFFFAOYSA-N 369.833 4.669 30 40 FJEB C=CCn1c(SC(F)F)nc2scc(-c3ccccc3)c2c1=O 943154 UDSZYXQDXGIVGW-UHFFFAOYSA-N 350.415 4.626 30 40 FJEB C=CCOc1ccc(C(=O)c2ccccc2)c(OCc2c(C)noc2C)c1 6605603 IFLLRLOHZROLPR-UHFFFAOYSA-N 363.413 4.666 30 40 FJEB CCOc1cc(/C=C/C(=O)c2ccccc2F)cc(Br)c1O 7007197 ICLUDCVNQHKEME-BQYQJAHWSA-N 365.198 4.589 30 40 FJEB COc1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 12466444 WASXKKCDZRXBRF-BKUYFWCQSA-N 366.490 4.796 30 40 FJEB C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1Cc1ccc(C#N)cc1 72305360 GNHVPYVCAJAEGS-INIZCTEOSA-N 363.461 4.708 30 40 FJEB N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(-c3ccccc3)n2)c1 102746058 CGGBXGUQIXEECQ-UHFFFAOYSA-N 371.368 4.535 30 40 FJEB COc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1 575243123 RQIXJUSBWRDRKS-UHFFFAOYSA-N 368.195 4.655 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N1CCc3ccccc3[C@H]1CC21SCCS1 1322169 QTVLAXQYDPELMB-MRXNPFEDSA-N 371.571 4.809 30 40 FJEB biogenic N#Cc1c(NC(=O)CCSc2ccc(F)cc2)sc2c1CCCC2 4496836 GGBBPNDGVXOGEZ-UHFFFAOYSA-N 360.479 4.759 30 40 FJEB N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 8270105 PXKIRTYXCRTMGB-UHFFFAOYSA-N 371.469 4.925 30 40 FJEB N#CCc1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s1 8917123 RQMNMQRUNDGHBK-UHFFFAOYSA-N 353.834 4.782 30 40 FJEB N#Cc1ccc(-c2ccco2)nc1SCC(=O)Nc1ccc(Cl)cc1 12250979 NXLCUOTYDZSWAU-UHFFFAOYSA-N 369.833 4.597 30 40 FJEB Cc1ccc(/C=[N+](\[O-])[C@@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1 13756157 ADVKQSULBPRXGV-VJOZSWGJSA-N 356.516 4.567 30 40 FJEB O=C(/C=C/Oc1cccc2cccnc12)c1ccc(Br)cc1 16448786 YUDSFJKPURVFQM-ZRDIBKRKSA-N 354.203 4.773 30 40 FJEB C[C@H](/C(=N\Nc1ccccc1)c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc21 73417626 QFIOQZMUCYTKEW-HOWONLAWSA-N 372.424 4.547 30 40 FJEB O=C1/C(=N/Nc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 100005903 KFFJCIRMIIRNNU-HIXSDJFHSA-N 374.831 4.559 30 40 FJEB Cc1ccccc1[C@H](C=O)[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 103116660 GXLSWHSOPYHFSO-VXKWHMMOSA-N 368.432 4.757 30 40 FJEB CC(C)COc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1 137495970 YENKJFOXQKKQLW-SMHQWKPTSA-N 358.488 4.596 30 40 FJEB Cc1ccc(C(=O)OC2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1458728 GMXHXVRGSRGJFC-UHFFFAOYSA-N 368.388 4.642 30 40 FJEB Cc1ccc2nc(N/N=C/c3ccc([N+](=O)[O-])o3)nc(-c3ccccc3)c2c1 5007028 HMJTZZLVDMCYCC-CIAFOILYSA-N 373.372 4.552 30 40 FJEB C=CCSc1ncc(Cl)c(C(=O)Nc2ccc3ccccc3c2)n1 8916845 NSXPNWWSEJOALN-UHFFFAOYSA-N 355.850 4.814 30 40 FJEB C[C@@H](Oc1cccc(C#N)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 58441423 BYBDPMVHPATAKH-LJQANCHMSA-N 370.452 4.555 30 40 FJEB COc1ccc2c(c1)CC/C(=C\c1cc(Br)ccc1OC)C2=O 96021846 QQDFLTUAKRMVGE-UKTHLTGXSA-N 373.246 4.679 30 40 FJEB CCOc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 100242826 LQXFRXUGLCWRFP-JLPGSUDCSA-N 374.440 4.853 30 40 FJEB COc1ccc(CN/N=C(\C)c2ccc(Cl)cc2Cl)cc1OC 216059010 WMTDXKCRNLHXNX-SRZZPIQSSA-N 353.249 4.524 30 40 FJEB O=C1CCCC2=C1C(c1ccccc1C(F)(F)F)C1=C(CCCC1=O)O2 704346 NGIRNPOURYWPSV-UHFFFAOYSA-N 362.347 4.833 30 40 FJEB Cc1sc(Nc2nc3ccccc3nc2N2CCCCC2)c(C#N)c1C 2313266 DLZIWZOHMNWBKN-UHFFFAOYSA-N 363.490 4.914 30 40 FJEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 8811434 CRVMHSRFZLSFJE-CIAFOILYSA-N 355.781 4.632 30 40 FJEB C=CCn1c(COc2ccccc2)nnc1SCc1cccc(Cl)c1 14087881 CAOFDFPBJYAWJL-UHFFFAOYSA-N 371.893 4.989 30 40 FJEB CN1/C(=C\C=C(\N=C(C#N)C#N)c2ccccc2)C(C)(C)c2ccccc21 17108590 FMSWLENMEXUPAV-IDIAMYQHSA-N 352.441 4.827 30 40 FJEB Cc1[nH]c2ccccc2c1C(=O)/C(O)=N/c1nc(-c2ccco2)cs1 47170953 LXHIKLDWAFDXML-UHFFFAOYSA-N 351.387 4.664 30 40 FJEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 222857860 HREPDAWOWHIRCS-MRXNPFEDSA-N 351.446 4.536 30 40 FJEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(SC)cc1 224983576 PQBHGYXKSCOEEU-UHFFFAOYSA-N 367.923 4.752 30 40 FJEB N#C[C@]1(F)CCN(C(=O)Nc2ccc(CSc3ccc(F)cc3)cc2)C1 591350536 JWNQFBUCVBEURW-LJQANCHMSA-N 373.428 4.587 30 40 FJEB C#CCOc1ccc(Br)cc1CNc1ccccc1Cl 6021220 NARJGHFXKQIGLN-UHFFFAOYSA-N 350.643 4.727 30 40 FJEB N#Cc1ccc(COc2cccc(/C=C3/C(=O)Nc4ccccc43)c2)cc1 6086132 ZHUCALPFTLGINV-FYJGNVAPSA-N 352.393 4.630 30 40 FJEB CC(=O)Nc1ccc(/C(C)=N/OCc2cccc(C(F)(F)F)c2)cc1 14397181 RDEPPEDPZRWSJS-FSJBWODESA-N 350.340 4.605 30 40 FJEB Cc1c(/C=N/c2ccc(I)cc2)c2ccccc2n1C 59679194 CVHHEIICRNGRKU-YBFXNURJSA-N 374.225 4.842 30 40 FJEB N#CCc1cccc(C(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)c1 89830406 HWDATXCCDYLIIS-DEOSSOPVSA-N 366.464 4.735 30 40 FJEB Cc1cccc(/C=C2/SC(N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)=NC2=O)c1 101866910 KIKZTEFIKRIYPY-LVSUYFLQSA-N 367.518 4.757 30 40 FJEB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N 225762654 HTBISPZSXLNGJT-UHFFFAOYSA-N 352.409 4.547 30 40 FJEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN[C@H](C)CCc4ccco4)[C@@H]3C[C@@H]12 248203829 YKAOGMQSLHIEKX-LMJKLBRKSA-N 371.521 4.505 30 40 FJEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccccc3)c3ccccc32)o1 409389102 AJZKBJCLPHWNEU-YDZHTSKRSA-N 358.397 4.820 30 40 FJEB CC(C)(C)OC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCC2 756930 HYCCRHQSUOTYEQ-UHFFFAOYSA-N 372.515 4.604 30 40 FJEB N#Cc1c(NC(=O)CSc2ccc3ccccc3c2)sc2c1CCC2 5775925 PKEPYMARLHHNJJ-UHFFFAOYSA-N 364.495 4.992 30 40 FJEB C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1cccc(OC(F)F)c1 7062410 XCLWFUQWGBLJSC-LSHDLFTRSA-N 362.405 4.746 30 40 FJEB O=C1/C(=C/c2cc3cc(Br)ccc3o2)Oc2cc(O)ccc21 9420517 MUSWIQLXCRMGKO-PXNMLYILSA-N 357.159 4.517 30 40 FJEB CSc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)cc1 20503992 HUKGMVXJQVSIOR-UHFFFAOYSA-N 371.469 4.572 30 40 FJEB aggregator CCCNc1c(/N=C(\O)Nc2ccccc2Cl)c(=O)oc2ccccc12 28048816 WWFPQOPWYURGBY-UHFFFAOYSA-N 371.824 4.926 30 40 FJEB CC1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)CC1 225866798 AHLRBEYOQJMDCJ-UHFFFAOYSA-N 363.292 4.533 30 40 FJEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(O)c(Cl)c1 408529104 HCNSYNWRDYCVOR-ZSOIEALJSA-N 365.241 4.591 30 40 FJEB CCCCCCCCCCNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408710258 VDXFHAOGQNIMSW-UHFFFAOYSA-N 366.590 4.964 30 40 FJEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cc(Cl)ccc1OC 409095175 HGPNYGQVLFSJTG-LPYMAVHISA-N 374.868 4.717 30 40 FJEB O=C(c1ccccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242820 KBWQRZUPHZDREG-UHFFFAOYSA-N 358.587 4.991 30 40 FJEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)Nc1ccc(F)cc1 1399445 RHDKLJWYHDVRDA-HOTGVXAUSA-N 374.202 4.518 30 40 FJEB O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc([N+](=O)[O-])s1 18286246 YEBGBDZWASEHPO-XDHOZWIPSA-N 351.387 4.659 30 40 FJEB CN(C/C(O)=N/c1nc(-c2cc3ccccc3o2)cs1)Cc1ccco1 24113273 DNRDHAGBROPZAF-UHFFFAOYSA-N 367.430 4.869 30 40 FJEB C=C(C)c1nc(C#N)c(N/N=C/c2cccc(OCc3ccccc3)c2)o1 27562355 CLLDIPPRSOYMEF-YDZHTSKRSA-N 358.401 4.604 30 40 FJEB Oc1c(C(F)(F)F)c(C(F)(F)F)nc(C(F)(F)F)c1C(F)(F)F 97950226 XWJHHSFCUGKEKT-UHFFFAOYSA-N 367.089 4.862 30 40 FJEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C2 100845652 ASMAHLZUEWTNTJ-AGIKKIGOSA-N 350.802 4.607 30 40 FJEB CC(C)(C)c1ccc2c(c1)[C@@](O)(c1ccccc1)[C@H]1O[C@]1(C(C)(C)C)C2=O 104007634 FCPOGDZEICKPOF-FGCOXFRFSA-N 364.485 4.600 30 40 FJEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCC 408595045 KEWVSNIORJJDKC-WSDLNYQXSA-N 358.825 4.560 30 40 FJEB Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408845351 GEDBOLXVUFNEES-JJFYIABZSA-N 368.820 4.902 30 40 FJEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(C)c([N+](=O)[O-])c1 409240719 QZRNUMNBNCLLAA-STZFKDTASA-N 353.422 4.653 30 40 FJEB C=CCN(CC=C)C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 28226871 JUGFNSHPPHKIDP-UHFFFAOYSA-N 366.244 4.980 30 40 FJEB CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Cl)c(Cl)c2)CC1 79033456 DMIDDGVWDUNAMN-UHFFFAOYSA-N 355.265 4.786 30 40 FJEB CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(Cl)cc1 103712043 JMPKDKFTCDWBKY-LICLKQGHSA-N 371.820 4.634 30 40 FJEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224709268 KZFVKROEQWHEOV-UHFFFAOYSA-N 356.274 4.683 30 40 FJEB O=C(Nc1ccc(F)cc1)O/N=C(\c1ccccc1)[C@@H](O)c1ccccc1 6603213 HKTBBAHNZLGJQH-UNJZAIIMSA-N 364.376 4.512 30 40 FJEB CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1OC 6957966 WYVNPNYDOVNVHM-YBFXNURJSA-N 364.239 4.616 30 40 FJEB Cn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1C(F)(F)F 14185353 ZGFVGCLJHVFGCR-UHFFFAOYSA-N 374.391 4.665 30 40 FJEB Cc1ccc(-c2ccc(/C=N\c3cccc([N+](=O)[O-])c3)o2)cc1C(=O)O 15227485 LIIVVIHLBDCYQN-JAIQZWGSSA-N 350.330 4.612 30 40 FJEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)[C@@H]1C(=O)c3ccccc3C1=N2 19831939 JRXSRKAFTLYWSY-QUCCMNQESA-N 361.828 4.746 30 40 FJEB CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] 23244973 ZIDGTFFYWFUJJJ-UHFFFAOYSA-N 357.797 4.670 30 40 FJEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C2 100845654 ASMAHLZUEWTNTJ-OHZJUNCBSA-N 350.802 4.607 30 40 FJEB COc1ccc2ccccc2c1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409035361 SJZMVZFJMXUWKG-LIMNOBDPSA-N 368.252 4.562 30 40 FJEB O=C(/C=C/c1cc(Br)ccc1O)C12CC3CC(CC(C3)C1)C2 4836880 PCLIEPCAZOHHRN-DAFODLJHSA-N 361.279 4.953 30 40 FJEB O=C(O/N=C(\c1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1 4867069 BVUYZMGFPSBKAO-PTGBLXJZSA-N 371.223 4.998 30 40 FJEB C[C@H]1CCc2c(sc3ncnc(N/N=C/c4ccc(Cl)cc4)c23)C1 6481318 SWYIRPDKBLMFEC-MKTFZPETSA-N 356.882 4.916 30 40 FJEB N#C[C@@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 7715551 KRDPYVXWILIVEH-AWEZNQCLSA-N 368.845 4.789 30 40 FJEB C=CCOc1c(Cl)cc(CNC2C3CC4CC(C3)CC2C4)cc1OC 8470116 PKFZQQPMWIBVDA-UHFFFAOYSA-N 361.913 4.828 30 40 FJEB COc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc(OC)c1 101091507 BSICKKYFCPTFRJ-UHFFFAOYSA-N 357.409 4.881 30 40 FJEB COC(=O)c1ccc(Cl)c(/N=C\c2ccc(N3CCCC3)c(C)c2)c1 408857080 MXAQCDWMLNJFJG-XKZIYDEJSA-N 356.853 4.786 30 40 FJEB O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)Cc2ccccc21 409369334 KZLPLHMSGPFLRC-XDHOZWIPSA-N 371.392 4.996 30 40 FJEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)CC(=O)N2c1ccccc1 1079878 ZXTDMNVSYFUPBS-INIZCTEOSA-N 351.833 4.868 30 40 FJEB COc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N 7985427 JXXDFCYLRWOTIW-UHFFFAOYSA-N 374.465 4.648 30 40 FJEB N#Cc1c(CSc2nnc(-c3cccc(Cl)c3)o2)cn2ccccc12 10319257 MRXTZWGZLZILEQ-UHFFFAOYSA-N 366.833 4.807 30 40 FJEB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1ccccc1C#N 12975928 YBRMVXTURHZFDI-UHFFFAOYSA-N 367.470 4.623 30 40 FJEB Cc1ccc(C(=O)O)cc1/N=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1 15228813 ZYYHBYWHBVHWJN-JJFYIABZSA-N 363.369 4.710 30 40 FJEB N#CCCCOc1cccnc1NC(=O)c1cc2c(s1)CCCCCC2 69349364 BFIXBPGAQUQBGK-UHFFFAOYSA-N 369.490 4.737 30 40 FJEB COc1ccc(Br)cc1/C=N/Nc1nc(C(C)(C)C)cs1 4590068 OHZPZACXYPYDRO-CAOOACKPSA-N 368.300 4.658 30 40 FJEB COc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1 4785639 XQZVHESVZCKBJB-YQLDJOMNSA-N 364.533 4.802 30 40 FJEB Cc1nc(-c2ccc(O)cc2)sc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 7333547 WSCLKEIGYIUWRS-BJMVGYQFSA-N 366.398 4.628 30 40 FJEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1ccco1 13778829 SXEVXURCLMSPCS-ZDLGFXPLSA-N 366.756 4.768 30 40 FJEB N#CC1(NC(=O)c2cc3ccccc3n2Cc2ccccc2)CCCCC1 84544591 FUMBYNNNINUWES-UHFFFAOYSA-N 357.457 4.646 30 40 FJEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1 575243033 UNZNWSPWKUDONY-UHFFFAOYSA-N 356.159 4.785 30 40 FJEB CCCCCCC/C=C/C=C/C(=O)NCCc1ccc(OC)c(OC)c1 1083104354 LAHLFCSEHHJQRN-AQASXUMVSA-N 359.510 4.835 30 40 FJEB Cn1/c(=N\N=C(Cc2ccccc2)Cc2ccccc2)sc2ccccc21 33855084 ZOCYRRJUPAQEGE-WJTDDFOZSA-N 371.509 4.982 30 40 FJEB CC(C)N(/N=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 408891889 DUSVVIZCIBRRNV-WOJGMQOQSA-N 362.227 4.606 30 40 FJEB Cc1cccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1C 409213414 UPKLOOBQPNIXKK-PXLXIMEGSA-N 365.454 4.822 30 40 FJEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1 1052212 YSUPNJZHLNTNEH-HYARGMPZSA-N 360.369 4.873 30 40 FJEB COC(=O)c1ccc(/N=N/C(=N\Nc2nc3ccccc3o2)C(C)C)cc1 4180135 ANUQMCZGAATMJU-HXNIXJDOSA-N 365.393 4.780 30 40 FJEB CCN(CC)/C(=N\C)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 19900963 OSOLBUDHIZHHPR-ZZEZOPTASA-N 361.829 4.759 30 40 FJEB C=CCn1c(C)nn(CN(C)C(c2ccccc2)c2ccccc2)c1=S 22419642 IPHURCVZERVRJZ-UHFFFAOYSA-N 364.518 4.587 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 28231840 FRLNYUDTFKAZRA-UHFFFAOYSA-N 353.443 4.749 30 40 FJEB Cc1ccc(N2C(=O)CS/C2=N/C(=O)Nc2ccc(Cl)cc2)c(C)c1 100112551 JREHIGYSEHUPNA-DYTRJAOYSA-N 373.865 4.625 30 40 FJEB C/C(=N\c1ccc(O)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101161131 XKISJDJEQMCANB-BUVRLJJBSA-N 370.408 4.543 30 40 FJEB COc1ccccc1/C=N\CCCCCC/N=C\c1ccccc1OC 103652317 YLFYIZXDURIZQE-BOYKQRMESA-N 352.478 4.802 30 40 FJEB CCn1c(N/N=C/c2cc(C)n(-c3ccccc3)c2C)nc2ccccc21 408692095 DGQBYXCXBMYAJI-HZHRSRAPSA-N 357.461 4.910 30 40 FJEB COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1O[C@@H](C)C(=O)O 409011035 FOAIFULYYARRSR-ZFKRWFGPSA-N 368.216 4.605 30 40 FJEB CC(C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409083509 BEVHLLZPQNMJTF-UFFVCSGVSA-N 367.327 4.847 30 40 FJEB CC(C)/N=C1\S/C(=C/c2cccn2-c2ccccc2F)C(=O)N1C(C)C 409201104 LUYSPOZVPZVOOF-FTIPTLOASA-N 371.481 4.706 30 40 FJEB Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 710288 RNDIWMQOIIYPGO-ZDUSSCGKSA-N 356.516 4.784 30 40 FJEB COc1cc(C#N)ccc1OC(=O)/C=C/c1ccc(-c2ccccc2)s1 7781278 BOTRPVMAABSJPH-FMIVXFBMSA-N 361.422 4.914 30 40 FJEB C=CCOc1c(Cl)cc(CNC23CC4CC(CC(C4)C2)C3)cc1OC 8470112 ZQMOHFANOLCYHZ-UHFFFAOYSA-N 361.913 4.972 30 40 FJEB CCNc1c(/N=C(\O)Nc2ccc(Cl)cc2)c(=O)oc2ccccc12 28048735 GYDFFDHMOLNFOQ-UHFFFAOYSA-N 357.797 4.536 30 40 FJEB COCC[C@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)c1ccc(C)o1 95993876 KBWUJYWVRIMXDH-KRWDZBQOSA-N 355.825 4.851 30 40 FJEB C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O 208461634 WEAJIPBRGMJZOG-WQRHYEAKSA-N 368.502 4.849 30 40 FJEB N#Cc1ccc(COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 409175968 GHLJKZTVTUZOND-UHFFFAOYSA-N 365.772 4.641 30 40 FJEB CN1C2=C(C(=O)CCC2)C(c2cccc3ccccc23)C2=C1CCCC2=O 807531 LCZRUYVEHLDFHO-UHFFFAOYSA-N 357.453 4.883 30 40 FJEB CCC[C@@H]1C/C(=N\OC)c2cc(-c3ccc(Br)cc3)nnc2C1 5194090 FODLNCWXFGFHKI-MVGOPGGASA-N 374.282 4.619 30 40 FJEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccccc1 408960869 OZUAVZWMVNZXKQ-YAEVEYJCSA-N 363.486 4.521 30 40 FJEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCc1ccncc1 804044 PAXGBSJCQFOZJE-UHFFFAOYSA-N 361.348 4.919 30 40 FJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(F)c2)[C@H]1c1cccs1 16751368 MDCIJKOKHNIJEL-QGZVFWFLSA-N 373.449 4.574 30 40 FJEB N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCc1ccco1 16779470 XUMYXSYQDSZDIS-UHFFFAOYSA-N 371.396 4.997 30 40 FJEB C[N+]1(C)C/C(=C/C=C\c2ccccc2)C(=O)/C(=C\C=C\c2ccccc2)C1 17197527 BWGCJHMLEDGPST-LJWYBYHFSA-N 356.489 4.925 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1F)OCO3 18197440 SKZQGJHEEQUBET-FQEVSTJZSA-N 365.404 4.755 30 40 FJEB N#Cc1cccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 24750730 LSBQWGNLNUPKKJ-UHFFFAOYSA-N 373.359 4.953 30 40 FJEB CC[C@@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CCN(C)C2 408601188 IXWAYYPLSLYTJJ-JCRYTKJOSA-N 353.491 4.536 30 40 FJEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCCC 409068593 UIVIMGIDBAPGHP-KGENOOAVSA-N 354.406 4.871 30 40 FJEB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 708630 XSPOOORIEHCKSC-UHFFFAOYSA-N 368.502 4.948 30 40 FJEB Cc1cc(C)c(NC(=O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 12600627 IXXPAZMPLJMLDD-UHFFFAOYSA-N 370.452 5.000 30 40 FJEB C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N/c1ccc(C)cc1 16711546 MBXUPDPOGFRWJC-KIOXBDSISA-N 364.470 4.794 30 40 FJEB Cc1nc2sc3c(c2c(=O)n1/N=C/C=C/c1ccccc1)CCCCC3 58634571 MHNIARUSZVLHOG-VMIYJPFUSA-N 363.486 4.583 30 40 FJEB C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(C(=O)OCC)cc1 102962783 SYCWEGXJPJATGJ-QURGRASLSA-N 364.470 4.812 30 40 FJEB C=CCOc1cccc(NC(=S)NCCCc2ccccc2Cl)c1 225541963 GEEAGAGGLOFALA-UHFFFAOYSA-N 360.910 4.824 30 40 FJEB N#CCSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 408751041 VRGNMGVRYYMSKS-UHFFFAOYSA-N 359.863 4.818 30 40 FJEB COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2C#N)cc1 1387571 VATXYARQFSUHED-UHFFFAOYSA-N 371.223 4.896 30 40 FJEB N#Cc1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N 1425993 SRKUDYQEWSTSMW-UHFFFAOYSA-N 355.422 4.833 30 40 FJEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 5517419 LJZUUNLBUZNFCM-MRXNPFEDSA-N 361.228 4.504 30 40 FJEB O=C(CCc1ccccc1F)N1CCS/C1=N\c1ccccc1Cl 60538603 FHWHSODHLBOCFH-UZYVYHOESA-N 362.857 4.675 30 40 FJEB CC(=O)c1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 408931907 RXCYWATULJONQF-LFVJCYFKSA-N 374.440 4.736 30 40 FJEB FC(F)(F)c1ccc(N/N=C\c2cccn2-c2ccc(Cl)cc2)nc1 408937439 GOPXEHKLBIIEKH-KSEXSDGBSA-N 364.758 4.991 30 40 FJEB C/N=C1/S/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N1C 408975169 ITINVEHTVMZGAR-NNBJUWIKSA-N 367.257 4.785 30 40 FJEB COc1cccc(/C=N\C2CCCCC2)c1OCc1ccc(C(=O)O)cc1 409187539 RQRXTQBQDSMPTD-UCQKPKSFSA-N 367.445 4.724 30 40 FJEB N#Cc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 6548238 VTCMMRXYEIXZTB-FYJGNVAPSA-N 350.219 4.862 30 40 FJEB C=CCN(C(=O)c1ccc(Cl)nc1)c1nc(-c2ccccc2)cs1 6651741 HEAOKUOGZBEGTO-UHFFFAOYSA-N 355.850 4.691 30 40 FJEB Cc1nc(SCC(=O)Nc2sccc2C#N)n(C2CCCCC2)c1C 6973343 IRHFTAKXTHLJSM-UHFFFAOYSA-N 374.535 4.669 30 40 FJEB C=CCOc1c(Cl)cc(CNCCc2c[nH]c3ccccc23)cc1OC 7525128 JFVKTAFAHGLSFG-UHFFFAOYSA-N 370.880 4.727 30 40 FJEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(Br)cc1)C2 13477486 VXYHEEIGJJGNHL-UXYLTIGXSA-N 350.256 4.808 30 40 FJEB CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 72309846 JVWOLWDKBDGUHH-AWEZNQCLSA-N 352.438 4.504 30 40 FJEB N=C1N=C(c2ccccc2)/C(=N/Nc2ccc(SC(F)F)cc2)S1 111913946 WDTBVEQQFPJCFP-ZABHWMONSA-N 362.430 4.898 30 40 FJEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C 219808852 VBWNQUMRVFMGLH-UHFFFAOYSA-N 368.502 4.745 30 40 FJEB Cc1cc(C)nc(N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)n1 408758535 LZEGNOFTUIKNLF-NHDPSOOVSA-N 353.857 4.600 30 40 FJEB COc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409104180 GFNKPLWADYSIKA-AERZKKPOSA-N 364.154 4.862 30 40 FJEB O=C(/C=C/Nc1ccc(Br)cc1Br)c1ccco1 409177766 IKQHIFLMKSVSHW-AATRIKPKSA-N 371.028 4.613 30 40 FJEB C[C@H](N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(C#N)c1 537293139 ITYKBEMNHCULEM-SJORKVTESA-N 370.456 4.617 30 40 FJEB COc1cccc(C(=O)[C@@H]2C(C#N)(C#N)C23CCC(C(C)(C)C)CC3)c1 2294903 XHXZXPVTACCHKQ-BSLVTKGXSA-N 350.462 4.764 30 40 FJEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C(=O)c2ccc(F)cc2)cc1 2631372 LEULYRJMHHVMJK-UHFFFAOYSA-N 362.316 4.629 30 40 FJEB O=C1/C(=C/c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)Oc2ccccc21 4720906 OUPIYWLOWVJIGA-MTPVXSITSA-N 357.365 4.995 30 40 FJEB CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 44792832 RCEODFNCVVDDRY-UHFFFAOYSA-N 369.424 4.826 30 40 FJEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\Nc3ccc(C(=O)O)cc3)cc21 208457710 IWQKQXXRZGMGLD-QRVIBDJDSA-N 363.461 4.771 30 40 FJEB CCCCc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1 409013069 SMTSNRUYPNWRPC-QQHUYRGFSA-N 355.434 4.640 30 40 FJEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(F)cc1 854373 WMOBLWOSLUGWMX-CTNGQTDRSA-N 373.427 4.868 30 40 FJEB Cc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)c(C#N)cc2c1 1222305 ZAYZFGUAWGAALK-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB CCc1ccc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc2c1 4848936 HUUGHCMXRIWWHF-UHFFFAOYSA-N 365.433 4.539 30 40 FJEB N#C[C@@H]1N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 5946733 VQWGIAVVVIAMCC-HXUWFJFHSA-N 371.827 4.687 30 40 FJEB N#Cc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 6790550 RVKBSTKOSVINKV-UHFFFAOYSA-N 372.453 4.750 30 40 FJEB C#CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OCC 6959246 OMFHIIDNPXKQEA-FYJGNVAPSA-N 372.262 4.919 30 40 FJEB C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccc(OC)cc2)c(O)c1 8972957 YRAXIBXVSKSINU-UHFFFAOYSA-N 366.417 4.847 30 40 FJEB COc1ccc(/C(C)=N/NCc2c(Cl)cccc2Cl)cc1OC 13586074 DZFNYPXMBNJFSL-SRZZPIQSSA-N 353.249 4.524 30 40 FJEB COc1ccc2c(C)cc(N/N=C(\c3ccccc3)c3ccccn3)nc2c1 17127497 CISFVSGQDKSSRY-SLEBQGDGSA-N 368.440 4.811 30 40 FJEB C=CCc1cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1OC 18186066 VOHIPTHPMCBQBU-UHFFFAOYSA-N 359.853 4.955 30 40 FJEB O=C1/C(=C/c2ccncc2)S/C(=N\c2ccccc2)N1c1ccccc1 40893300 RTGGPWNKWRVMGB-GWPSIESESA-N 357.438 4.890 30 40 FJEB O=C(/C=C/c1ccc(-n2cncn2)cc1)c1cc(Cl)sc1Cl 58063619 UTMVEJJROZHZFE-ZZXKWVIFSA-N 350.230 4.532 30 40 FJEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/Nc1nc(-c3ccc(O)c(O)c3)cs1)C2 101579411 KCSUPFVUZDVRDD-FIRSRQMGSA-N 357.479 4.835 30 40 FJEB CCOP(=O)(OCC)/C(=N/C(=O)OCc1ccccc1)C(F)(F)F 103632117 KUTBZBIAGSGSBU-LDADJPATSA-N 367.260 4.550 30 40 FJEB N#Cc1c(Cc2ccccc2Cl)nn(Cc2cccc3ccccc23)c1N 225848666 ZETBCEHVTCGQGT-UHFFFAOYSA-N 372.859 4.783 30 40 FJEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OC)C(=O)N1CC 408915985 SRVGHFLZMKVXTP-KLPPEWMLSA-N 366.486 4.882 30 40 FJEB CCc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1773454 RIRYJSNESGMZAJ-UHFFFAOYSA-N 368.502 4.859 30 40 FJEB CC1CCN(c2cc(-c3ccco3)c3c(c2C#N)CC(C)(C)OC3)CC1 2296093 ZLWRDMJDCZTBAM-UHFFFAOYSA-N 350.462 4.906 30 40 FJEB S=C(NCc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 4511048 PMGNDEGDWZVUSN-LPYMAVHISA-N 369.877 4.598 30 40 FJEB Cc1cccc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)c1 4811858 FZQRXWISLYNFRJ-SRZZPIQSSA-N 350.374 4.984 30 40 FJEB O=C(Nc1ccccc1F)O/N=C(/C(=O)c1ccccc1)c1ccccc1 6927189 POZYADYEXUOJDH-LYBHJNIJSA-N 362.360 4.661 30 40 FJEB CCOc1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1OCC 32647128 XJFAAIKCTWWJRX-CIAFOILYSA-N 370.840 4.527 30 40 FJEB CN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 63915341 DFFAKNPLFZWPEG-UHFFFAOYSA-N 355.850 4.540 30 40 FJEB C(=N/n1c(-c2cccs2)cs/c1=N/c1ccccc1)\c1ccccn1 89821781 UPJYAAKBWRGZPH-WVZQHPIYSA-N 362.483 4.788 30 40 FJEB CCCC(=O)N1c2ccccc2S[C@@H]1CC(=O)/C=C/c1ccccc1 2049251907 JFOTUZJNOQGGPO-QZMUEMGWSA-N 351.471 4.924 30 40 FJEB CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21 4029604 RDKWTBULQNEFPV-SFLYRZDNSA-N 368.541 4.718 30 40 FJEB biogenic C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 6401741 GPHHCLLCOPKOKY-NEPJUHHUSA-N 363.244 4.510 30 40 FJEB N#CCSc1ccccc1NC(=O)COc1ccc(Cl)c(Cl)c1 7483280 QWNUDGBBHGNFFP-UHFFFAOYSA-N 367.257 4.627 30 40 FJEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 13121913 SXPBUZSSJCLJHI-JOCHJYFZSA-N 355.441 4.881 30 40 FJEB CCOc1ccc([C@H](C)/N=C(/S)NC2CCCCC2)cc1OCC 13685068 XEWHYZLUJBINKU-AWEZNQCLSA-N 350.528 4.753 30 40 FJEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 14396755 DCYGMZZZWDQENG-HNNXBMFYSA-N 359.853 4.928 30 40 FJEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 225685249 GGNTYZIYCNTKQT-UHFFFAOYSA-N 354.837 4.671 30 40 FJEB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 997630 MQDKLRXNNVSAKL-CXAGYDPISA-N 354.475 4.541 30 40 FJEB O=C1/C(=N\Nc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1 4578362 DEYDGTRLMDZJFC-GFMRDNFCSA-N 374.831 4.559 30 40 FJEB CCc1ccc2nc(SCC(=O)Nc3ccccc3C)c(C#N)cc2c1 4848916 OMWBEKUVICUVLV-UHFFFAOYSA-N 361.470 4.708 30 40 FJEB N#Cc1ccc(-c2ccco2)nc1SCC(=O)Nc1ccccc1Cl 12250978 BLEVPOSKVDHDIH-UHFFFAOYSA-N 369.833 4.597 30 40 FJEB CN/C(=N\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 20218718 XBWHGNQPCBWHPF-UHFFFAOYSA-N 357.719 4.565 30 40 FJEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccnc3)c(C)c2s1 72228751 DZTJGCBMLSYNHW-FMCGGJTJSA-N 367.478 4.758 30 40 FJEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 100349880 XVLLYSLXVKYPBO-IWIPYMOSSA-N 374.440 4.772 30 40 FJEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/C[C@@H]3C=CC[C@@H]23)c1 138335928 OOLPSPFENZMUGE-GGVQKYQNSA-N 359.804 4.597 30 40 FJEB COC(=O)c1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c(C)c1 408915542 XLQOICZRJJECIF-UHFFFAOYSA-N 372.376 4.504 30 40 FJEB C/C(C=Nn1c(C2CCCCC2)nc2ccccc2c1=O)=C\c1ccco1 409283750 SWTXPMQEBVQMIH-GHFXUULHSA-N 361.445 4.975 30 40 FJEB C[N+]1(C)CCC(c2ccccc2)(c2ccccc2)C(=O)[C@@H]1Cc1ccccc1 1577555 LOUDGEIFJOWHQX-DEOSSOPVSA-N 370.516 4.633 30 40 FJEB O=C(/C=C/N1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(F)cc1 6926315 STRXSZRBGBDSNG-SDNWHVSQSA-N 362.360 4.857 30 40 FJEB C=CCn1cnnc1SCc1cn(-c2ccccc2)nc1-c1ccccc1 7150120 FOEPXGOVOSRGFC-UHFFFAOYSA-N 373.485 4.609 30 40 FJEB C(=N/N=C(c1ccccc1)c1ccccc1)\c1c[nH]nc1-c1ccccc1 17072704 BQXSGAZDMQENND-LFVJCYFKSA-N 350.425 4.948 30 40 FJEB C=CCSc1nnc(NC(=O)CCc2ccc(Cl)cc2Cl)s1 30611926 YOMJQDFJLIWKPX-UHFFFAOYSA-N 374.318 4.694 30 40 FJEB C[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(Cl)c2ccccc12 332143670 LAWHCUYRSZJSCJ-AWEZNQCLSA-N 355.869 4.889 30 40 FJEB Cc1cccc(N=C2NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)c1 408806887 BNCREGSGZJXKIP-UNOMPAQXSA-N 361.470 4.687 30 40 FJEB O=C(c1ccc(F)c(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F 575361013 NOOMQOVSGZMVGN-UHFFFAOYSA-N 360.122 4.860 30 40 FJEB C/C(=N\[C@@H]1CCCC[C@H]1/N=C(\C)c1ccccc1O)c1ccccc1O 4649700 GRCXJNOPXSFZOU-XADFGDBWSA-N 350.462 4.727 30 40 FJEB CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 5509533 VNIZTSGFSZOVJO-QGOAFFKASA-N 369.465 4.564 30 40 FJEB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(C#N)cc1 8706960 FOCFCARIFXQDDO-KSFYIVLOSA-N 353.425 4.886 30 40 FJEB CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)OCC 27638546 STQVEMJKKQYNQQ-FWVJVLSOSA-N 364.526 4.759 30 40 FJEB Cc1c(/C=N/c2cccc(I)c2)c2ccccc2n1C 59247927 IOMKYXSQASCIDM-YBFXNURJSA-N 374.225 4.842 30 40 FJEB Cn1c(N/N=C/c2cccc(OCc3ccccc3)c2)nc2ccccc21 408645678 AJSCFHAIQYNSPJ-HZHRSRAPSA-N 356.429 4.598 30 40 FJEB C/C(Cl)=C/CC/C(C)=C/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4903317 PVNSWIBQEMCVIV-CJNWTPEVSA-N 352.778 4.770 30 40 FJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 13635114 MXUXUOJAKKXKKR-NRFANRHFSA-N 373.456 4.617 30 40 FJEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C#N)c2ccccc21 226362141 RKLXUOAHTQPLSB-NSHDSACASA-N 359.212 4.927 30 40 FJEB C/C=C/C(=N/N=c1/[nH]c2ccccc2s1)/N=N/c1ccc(OC)cc1 4099406 IFHBNCKAOBJCGH-ADXSNJBKSA-N 351.435 4.812 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(C)cc2C)=NC1=O 35644776 YFVVIIXJDGFMIB-CPNJWEJPSA-N 364.470 4.951 30 40 FJEB Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116777 BIPLUFVYFSJNKH-UDWIEESQSA-N 364.361 4.661 30 40 FJEB N#Cc1cnn2c1N=C1CCCC(O)=C1[C@H]2c1ccc(Cl)c(Cl)c1 102830554 HHILDPGQPCANBJ-MRXNPFEDSA-N 359.216 4.733 30 40 FJEB CCN(/C=C1/C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)CC 118917959 QIWHTHRIASTAHD-BXEOAJGKSA-N 371.565 4.715 30 40 FJEB C=C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927802 WHUVCKHSKYGQND-OWNQEUAMSA-N 358.522 4.798 30 40 FJEB N#CC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2)CC1 225898916 BEUGVHGFMDCEFG-UHFFFAOYSA-N 363.804 4.802 30 40 FJEB COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1OC 1507527 VOPNSFJOJANUNA-BUVRLJJBSA-N 371.440 4.852 30 40 FJEB O=[N+]([O-])c1ccc(O/C(=N\c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 2072700 GYKVALIINWQGAG-VXPUYCOJSA-N 363.329 4.660 30 40 FJEB C=CCn1c(C)cc(C(=O)CSc2ncnc3sc(C)c(C)c23)c1C 3318734 IPUHLFOLWYRHNW-UHFFFAOYSA-N 371.531 4.887 30 40 FJEB N#Cc1ccc(CSc2nnc(-c3ccccc3Br)o2)cc1 3412536 RNFCTBNCVAHHCE-UHFFFAOYSA-N 372.247 4.663 30 40 FJEB Cc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2c1C 4849114 VHVYAOYXVGMZTR-KSSFIOAISA-N 367.518 4.510 30 40 FJEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2ccc(C(=O)O)cc2)cc1 4867251 RUGOVBWJPHTCPM-LFVJCYFKSA-N 373.456 4.857 30 40 FJEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C)cc1 8362961 IKRHDPHXMUDHDE-SMSCYPBYSA-N 372.877 4.978 30 40 FJEB C=CCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC 14399432 MUPLBDBYLKYYGU-UHFFFAOYSA-N 357.453 4.943 30 40 FJEB CCOC(=O)c1c(/N=C\c2ccc(N(C)C)cc2)sc2c1CCCC2 18066390 GMSRWYFEHJIXRD-BKUYFWCQSA-N 356.491 4.620 30 40 FJEB C/C(=N\Nc1ccc(C(F)(F)F)cn1)c1sc(C(C)(C)C)nc1C 41699724 HZZWUDVZMOHOSV-LSHDLFTRSA-N 356.417 4.999 30 40 FJEB C[C@@H](C#N)Oc1ccccc1NC(=O)c1[nH]c2ccc(F)cc2c1Cl 96004139 VWBWUIQYEWGRPE-JTQLQIEISA-N 357.772 4.504 30 40 FJEB C=CCN(c1ccccc1CC)S(=O)(=O)c1cc(Cl)ccc1Cl 224928374 SQFIVLNXXGYNBV-UHFFFAOYSA-N 370.301 4.937 30 40 FJEB Cc1ccccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1772530 DKQQJNACDBRCSV-AWEZNQCLSA-N 368.502 4.851 30 40 FJEB N#Cc1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c1CCC2 3224978 CSDSWPUQFVPTPY-UHFFFAOYSA-N 372.449 4.592 30 40 FJEB CCN(CC)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4064071 ZHHLBIYUTRPRSL-UHFFFAOYSA-N 353.491 4.597 30 40 FJEB C=CCN(C(=O)c1oc2ccccc2c1C)c1nc2c(s1)CCCC2 5511173 MFBFOIZTZFVKPG-UHFFFAOYSA-N 352.459 4.909 30 40 FJEB CSc1ccc(/C=C2/CNC/C(=C\c3ccc(SC)cc3)C2=O)cc1 8655428 YFMYNOUCTKNNOG-MJZABRMRSA-N 367.539 4.770 30 40 FJEB COC(=O)c1ccccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 8811459 KGUOJSBJAQMMTO-YDZHTSKRSA-N 368.820 4.510 30 40 FJEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 18136788 ITRJOQMMAZPFAQ-QFIPXVFZSA-N 364.445 4.977 30 40 FJEB CCOC(=O)C(C/N=C\c1ccccc1)(c1ccccc1)c1ccccc1 104356316 LFCZBRMGEVRQSJ-BWAHOGKJSA-N 357.453 4.655 30 40 FJEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(SC)cc1 224988396 TYCPVBBLGJXWNX-UHFFFAOYSA-N 361.532 4.715 30 40 FJEB Cc1ccc(C23C[C@H]4C[C@@H](CC(/C(O)=N/CCc5ncc[nH]5)(C4)C2)C3)cc1 329885123 UCWOHXGOVORAGU-YUOVDFJASA-N 363.505 4.755 30 40 FJEB COc1ccccc1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O 408739214 UEYQOOSFUXSTOG-YBEGLDIGSA-N 358.850 4.549 30 40 FJEB N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)s1 4476394 IMVBMXSCTLLLQD-WNASQKBVSA-N 370.905 4.934 30 40 FJEB COc1ccc2c(c1)oc1c(-c3ccccc3F)c(C#N)c(N)c(C#N)c12 4599156 DCPBHBQDTHWSNV-UHFFFAOYSA-N 357.344 4.726 30 40 FJEB CCC[C@H]1S/C(=N/N=C/c2c3ccccc3cc3ccccc23)NC1=O 6757506 YBCZMHYRCKZOFD-PPRFWAEMSA-N 361.470 4.715 30 40 FJEB S=c1[nH]c(-c2ccccc2)cn1/N=C/c1ccc(Br)cc1 8643212 MAQGIXGUXKNQNI-VCHYOVAHSA-N 358.264 4.857 30 40 FJEB O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1F 12956283 OPWIQBNSCSIZKG-MPUCSWFWSA-N 373.186 4.803 30 40 FJEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(CC)cc2)=NC1=O 35644744 VUBPDAHNIWQXMZ-XMHGGMMESA-N 364.470 4.896 30 40 FJEB Fc1ccc(-c2cc3ncnc(N/N=C4/C[C@@H]5C=CC[C@H]45)c3s2)cc1 96714156 YOWRAZPJWXMRLR-HGODXCSASA-N 350.422 4.861 30 40 FJEB Cc1ccc(COc2c(Cl)cc(/C=N\O)cc2Br)cc1 216910727 NOSZJQIAJSXLDZ-LSCVHKIXSA-N 354.631 4.798 30 40 FJEB Cc1ccc(C(=O)N=C2C(Cl)=C(Cl)C(=O)C(Cl)=C2Cl)cc1 939788 PRSBHTHLUGTMDR-UHFFFAOYSA-N 363.027 4.537 30 40 FJEB N#C[C@@H](C(=O)c1ccc(Br)s1)c1nc2ccccc2s1 3164101 SVPZKYHDVXBLRK-QMMMGPOBSA-N 363.261 4.610 30 40 FJEB COc1ccc(-c2csc(N/N=C(\C)c3ccc(C)o3)n2)cc1OC 4746639 UYDVMBOONSDVJO-UDWIEESQSA-N 357.435 4.565 30 40 FJEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc2ccccc2[nH]1 6589906 ZAOIOPXHFPRCNT-UHFFFAOYSA-N 370.437 4.838 30 40 FJEB O=c1oc2ccccc2cc1-c1csc(N/N=C\[C@H]2CC=CCC2)n1 13773930 UGHGKIWJIWQYMO-GHOUAXAESA-N 351.431 4.671 30 40 FJEB C=CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O 208443955 XHIMZDIFTPKBGO-BOPFTXTBSA-N 354.475 4.541 30 40 FJEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(O)c(C(=O)O)c3)c2C)cc1C 408741370 PLMXFTTUZMGPEI-FMCGGJTJSA-N 362.429 4.865 30 40 FJEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)SC1=S 409019075 XZWZZRNWGGCKAA-WJDWOHSUSA-N 374.918 4.826 30 40 FJEB Cc1cccc2c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n(C)c12 409030877 FMRPTQHWORYUST-FINSYCMTSA-N 369.284 4.509 30 40 FJEB COc1cccc(NC(=S)N/N=C/c2ccc(-c3ccccc3)cc2)c1 3250787 OKGAFJZQUHJRAC-PXLXIMEGSA-N 361.470 4.683 30 40 FJEB CC[C@H]1S/C(=N\N=C(\C)c2ccccc2)N(c2ccc(C)cc2)C1=O 4860259 KMSWGRSAOVGMGM-WWZMTBGJSA-N 351.475 4.634 30 40 FJEB N#Cc1c(-c2cccs2)cc(-c2ccc(Br)cc2)nc1N 33530261 YCEZKABBCSJWHV-UHFFFAOYSA-N 356.248 4.693 30 40 FJEB O=[N+]([O-])c1ccc(O)c(-c2ccc(/C=N/Nc3cccc(Cl)c3)o2)c1 35188682 SGCJRGJKXNLHNI-VXLYETTFSA-N 357.753 4.660 30 40 FJEB CCCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C)cc1 408916209 WBESMUYUCXXKBR-BIXZQSIESA-N 352.459 4.715 30 40 FJEB O=[N+]([O-])c1ccc(N/N=C/c2cccc3c(Br)cccc23)cc1 4265720 SBVYANKWDMUVGY-YBFXNURJSA-N 370.206 4.957 30 40 FJEB CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1 5718077 GHPUKWZCNYUPOL-UHFFFAOYSA-N 372.376 4.586 30 40 FJEB CCCN1C(=O)c2ccccc2NC12CCC(C#N)(c1ccccc1)CC2 9740531 CTOCILXXCJFXQW-UHFFFAOYSA-N 359.473 4.696 30 40 FJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Cl)cc1F 31082200 OBQXAYZPEDBEJH-UHFFFAOYSA-N 350.780 4.526 30 40 FJEB N#C[C@@H](C(=O)C1=Cc2ccccc2OC1)c1nc2cc(Cl)ccc2s1 84579344 ZJQMMMMKIOOADU-AWEZNQCLSA-N 366.829 4.602 30 40 FJEB Cc1ccc(-n2cnc3cc(/N=C/c4nc5ccccc5n4C)ccc32)cc1 999157 XBJBQOHMIOHATD-ZVHZXABRSA-N 365.440 4.971 30 40 FJEB O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1cccc2ccccc12 1057228 VCYWNSJCTPCYBD-ZVHZXABRSA-N 350.377 4.623 30 40 FJEB Clc1ccc(CSc2nnc(/N=C3\CCCCCN3)s2)cc1 2659516 LIYLCEMXTDZGNG-UHFFFAOYSA-N 352.916 4.677 30 40 FJEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5577633 JNLZPWQPTJERAV-MFOYZWKCSA-N 360.768 4.657 30 40 FJEB Cc1cccc(NC(=O)O/N=C(\N)C(c2ccccc2)c2ccccc2)c1 6550665 PQLWVRFJBKYTAY-UHFFFAOYSA-N 359.429 4.648 30 40 FJEB COc1cc2c(cc1NCC(=O)Nc1ccccc1C#N)oc1ccccc12 11619200 SOUGDTAYCQAVQV-UHFFFAOYSA-N 371.396 4.517 30 40 FJEB COc1ccc(OC)c(CNC2=C(c3ccccc3)C(=O)c3ccccc32)c1 20228916 SZEGFVUQELFZMS-UHFFFAOYSA-N 371.436 4.558 30 40 FJEB CCN(/C=C1\C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)CC 118917958 QIWHTHRIASTAHD-MDHGTXKOSA-N 371.565 4.715 30 40 FJEB C=CCOc1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1 225545178 FJVOVRWCCUBNPB-UHFFFAOYSA-N 360.910 4.824 30 40 FJEB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1 225683662 ZKOKDJJXPVCUCX-UHFFFAOYSA-N 352.409 4.547 30 40 FJEB C=CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)NC1=O 408532346 UJBWWIVVOBMLPR-ATVHPVEESA-N 370.861 4.796 30 40 FJEB C/N=C1/S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N1C 409336099 MAEMVDOENQWGDX-SGDIVOEVSA-N 360.523 4.519 30 40 FJEB Cc1cc(C)c2nc(SCC(=O)OCc3ccccc3)c(C#N)cc2c1 1354229 MJQWQABKEBBCDC-UHFFFAOYSA-N 362.454 4.559 30 40 FJEB O=C(c1ccccc1)c1nn(-c2ccccc2)cc1/C=N/Cc1ccccc1 3277780 KGIGCAJBPWBNSC-KOEQRZSOSA-N 365.436 4.722 30 40 FJEB CC(=O)c1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c1 6692851 PKYNPMBTCPDUOS-OEAKJJBVSA-N 374.396 4.844 30 40 FJEB COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OC(C)C 8811862 UIJNGJSPYGSHOF-UFFVCSGVSA-N 367.276 4.913 30 40 FJEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccc(F)cc1 12129051 OUKZPKDYBVNLGZ-UFFVCSGVSA-N 371.437 4.624 30 40 FJEB COc1ccc(CN/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1OC 20196724 PTLMXYNBGLHQST-BUVRLJJBSA-N 369.509 4.751 30 40 FJEB CCCCCCCCCCCCCC(=O)N[C@@H](CCCC(=O)O)C(=O)O 100494585 LTQKDWZGPVLYJU-KRWDZBQOSA-N 371.518 4.512 30 40 FJEB C=CCSc1nnc(NC(=O)c2cc(C(C)C)c(OC)cc2C)s1 225670886 NWFVBQYVXUQPDE-UHFFFAOYSA-N 363.508 4.509 30 40 FJEB Cc1ccc(Cl)cc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)o1 408750395 MIDZLIVWMLVTMV-JMIUGGIZSA-N 356.769 4.658 30 40 FJEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)c1 408806532 BCXFSXJURPFKCQ-ODLFYWEKSA-N 361.470 4.687 30 40 FJEB N#CCCC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 570702705 UJSFUIORTCRMNJ-XMMPIXPASA-N 372.516 4.547 30 40 FJEB Cc1ccc(S(=O)(=O)O[C@@H]2CCCCCCCCCCC2=O)cc1 1767864 WKROSNASDKHTEZ-LJQANCHMSA-N 352.496 4.553 30 40 FJEB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c1 4848877 STNHXGDUBYCQOM-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB N#Cc1ccccc1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 5230865 CIEKHFAVMJERGQ-UHFFFAOYSA-N 368.771 4.565 30 40 FJEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1ccccc1 5400331 OJPZUUBEZHCJAW-OEAKJJBVSA-N 372.428 4.597 30 40 FJEB Cc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 7777588 WDLRGZQHZGMBNS-XYOKQWHBSA-N 350.418 4.790 30 40 FJEB O=[N+]([O-])c1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1Cl 9195825 DHYOPRWCHBUMKF-CNHKJKLMSA-N 358.612 4.679 30 40 FJEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)C/C2=N\O 13143152 FEVRAXSZZSFJDH-NSFJBHPKSA-N 355.265 4.979 30 40 FJEB CCCN1C(=O)/C(=C/c2ccco2)S/C1=N/c1ccc(OCC)cc1 97464887 QEISHTNPNKSESL-CAUPHXMNSA-N 356.447 4.692 30 40 FJEB N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1/C=C\c1ccccc1 105037397 BDWJSXYNKWTYLA-WICXQEASSA-N 356.469 4.765 30 40 FJEB O/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226339552 CRVLIWNPIZPVEA-WSVATBPTSA-N 358.594 4.629 30 40 FJEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C#N)C1 2483691 MDRPQAVGUPHNIU-CQSZACIVSA-N 353.491 4.808 30 40 FJEB N#CCCSc1ccccc1NC(=O)c1ccc(Br)s1 4176926 SGEOOSBBEKLBHJ-UHFFFAOYSA-N 367.293 4.769 30 40 FJEB N#Cc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)cc1 8080720 YLQVUEDXTGBXSE-UHFFFAOYSA-N 370.437 4.906 30 40 FJEB COC(=O)c1ccccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118807 YFYORCKTURIQBQ-YDZHTSKRSA-N 368.820 4.510 30 40 FJEB COc1cc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cc(Cl)c1O 96157982 KKOLLDXJFMWVCE-WDZFZDKYSA-N 371.795 4.887 30 40 FJEB CN1/C(=C\C=C(/N=C(C#N)C#N)c2ccccc2)C(C)(C)c2ccccc21 104202711 FMSWLENMEXUPAV-JPOLKSPQSA-N 352.441 4.827 30 40 FJEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\OCc2ccccc2C#N)o1 408591701 JZKRVHAALWDMTM-UUYOSTAYSA-N 361.357 4.586 30 40 FJEB C=CCO/N=C(\CCC)C1=C(OC)C[C@H](C[C@@H](C)SCC)CC1=O 5417228 UQZVHDPICKDZDC-RQZSCTENSA-N 353.528 4.756 30 40 FJEB Cc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c([N+](=O)[O-])c1 8811463 YLGGFRSNVKNLAC-WSDLNYQXSA-N 369.808 4.940 30 40 FJEB C=CCn1c(COc2ccccc2)nnc1SCc1cccc(C)c1 9030116 QYYGPJIXHJIWHZ-UHFFFAOYSA-N 351.475 4.644 30 40 FJEB COc1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc1 12032528 QFVZIJOKDZWAAS-UYRXBGFRSA-N 360.438 4.740 30 40 FJEB Cc1ccc(NC(=O)COc2ccc(/C=N/Nc3ccccc3)cc2)cc1C 15018748 SMJLCIHKGKZGLH-BUVRLJJBSA-N 373.456 4.767 30 40 FJEB C=CCOc1ccc(NC(=S)NCCCSC2CCCCC2)cc1 225591698 AQHGOQXEEVCALS-UHFFFAOYSA-N 364.580 4.994 30 40 FJEB Fc1ccc(-c2cc(C(F)F)nc(N/N=C/c3ccc(F)s3)n2)cc1 252494056 NJXNZMRMTUGQJT-ODCIPOBUSA-N 366.343 4.867 30 40 FJEB Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C)cc1 408906727 DJYJPGPERRODPY-FBPBHIITSA-N 358.850 4.588 30 40 FJEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 1437168 VYCRXDWZLFDOML-UHFFFAOYSA-N 369.449 4.550 30 40 FJEB O=C1C(Cl)=C(Sc2nc3ccccc3s2)C(=O)c2ccccc21 1576757 WJEAICBYVLRPDS-UHFFFAOYSA-N 357.843 4.918 30 40 FJEB COc1ccc([C@@H]2CCCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 1715759 MCABBJPUFYFWOF-SFTDATJTSA-N 374.502 4.825 30 40 FJEB C=C(C)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 2619284 XEORUZGFKUECEQ-UHFFFAOYSA-N 356.882 4.959 30 40 FJEB Cc1cc(SCC(=O)c2cccs2)n2c(nc3ccccc32)c1C#N 4270092 QKOFQRKIVOBLFC-UHFFFAOYSA-N 363.467 4.704 30 40 FJEB O=C1N/C(=N\c2ccc(F)cc2)S[C@H]1Cc1cccc(Cl)c1Cl 13564228 NTNROJBQMZPYJS-ZDUSSCGKSA-N 369.248 4.594 30 40 FJEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 20533468 KUXMBRGIHUJSHJ-WQRHYEAKSA-N 357.837 4.504 30 40 FJEB C=CCc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 31333797 NGEDPGHANAJSFF-CQSZACIVSA-N 373.880 4.919 30 40 FJEB N=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)[C@@H]1c1nccs1 34690620 VGWPULMGXGXLHI-MRLXPSEMSA-N 370.430 4.960 30 40 FJEB COc1ccccc1C(=O)/C(=C/c1cccnc1)c1nc2ccccc2o1 95116756 UAVMUTFMPXMWSC-LGMDPLHJSA-N 356.381 4.655 30 40 FJEB CCOC1=CC(=C2C=CC(=O)C(O)=C2)C=C(OCC)c2c(C)oc(C)c21 95482131 XEUAUPCWZDKPRI-UHFFFAOYSA-N 354.402 4.542 30 40 FJEB C/C(=N\c1ccccc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370426 HEKPHJGQFJNFAX-LFVJCYFKSA-N 354.409 4.837 30 40 FJEB Cc1ccc(SCCCNC(=S)Nc2ccc(CC#N)cc2)cc1 225587312 CWVIVYWAPLZBEL-UHFFFAOYSA-N 355.532 4.530 30 40 FJEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccc1 409096334 JSASKIVDQLHLMN-MYKKPKGFSA-N 358.367 4.954 30 40 FJEB C[N+](C)(CCC#CC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1 1827550 KAFKIEAZHPDMFH-UHFFFAOYSA-N 368.500 4.573 30 40 FJEB COc1cc(CN[C@@H](C)c2ccc(CC(C)C)cc2)ccc1OCC#N 12930695 SAWODCJSHVRNBH-KRWDZBQOSA-N 352.478 4.647 30 40 FJEB c1ccc([C@@H]2C/C(=N/Nc3nncc4ccccc34)c3ccccc3O2)cc1 33044114 BJYJRGGQZWMCOO-WTALZMIHSA-N 366.424 4.970 30 40 FJEB Cc1ccc(C)c(N/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)c1 100862370 JLHKNSVDQGVGOV-XFXZXTDPSA-N 353.365 4.675 30 40 FJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)(C)C)s1 1059806 LTRPABRZOMJGMI-IBGZPJMESA-N 373.518 4.577 30 40 FJEB C=CCOc1ccc(/C=C2/SC(Nc3cccc(Cl)c3)=NC2=O)cc1 2594269 VEBMEBQXECQYQH-GZTJUZNOSA-N 370.861 4.987 30 40 FJEB COc1cc(Br)cc(/C=N/c2ccc(Cl)cc2C)c1O 2751407 LJBSUCYNKHXDEM-QGMBQPNBSA-N 354.631 4.876 30 40 FJEB O/C(=N\c1nc(-c2ccc(Br)cc2)cs1)C(F)(F)F 6926595 CJXRMGGGOCVOOH-UHFFFAOYSA-N 351.147 4.723 30 40 FJEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1NC(=O)c1ccccc1 8334658 FWIUEVZZNHBCII-LPYMAVHISA-N 351.837 4.893 30 40 FJEB Cc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3c(C)noc3n2)cc1 10642362 AXRGRTMKUYGTKA-UHFFFAOYSA-N 368.396 4.631 30 40 FJEB CC(/C=C\c1ccccc1)=C\C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13407647 IYFGLYFTWKJMPZ-HGCRZVHESA-N 366.377 4.951 30 40 FJEB COc1ccc(/C=C2/S/C(=N/c3cccc4ccccc34)NC2=O)cc1 35644554 QFVZIJOKDZWAAS-CPNJWEJPSA-N 360.438 4.740 30 40 FJEB C=CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 219642653 PWYBGJJIERRHHM-IBGZPJMESA-N 351.446 4.592 30 40 FJEB Cc1cc(Cl)cc(Cl)c1OCC(=O)n1cc(C#N)c2ccccc21 226362220 JYMOXOOQQZUJRC-UHFFFAOYSA-N 359.212 4.847 30 40 FJEB Oc1ccc(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 1083811022 NFFGZFUJRPHJRZ-UHFFFAOYSA-N 356.184 4.834 30 40 FJEB Cc1ccc(C(=O)O/N=C/c2c(-c3ccccc3)nc3sccn23)cc1 1384886 FETPMJRTBMMCQD-FYJGNVAPSA-N 361.426 4.562 30 40 FJEB CCOc1ccccc1Nc1nnc(SCc2ccc(C#N)cc2)s1 4843439 FWHHFSRRBCROQP-UHFFFAOYSA-N 368.487 4.844 30 40 FJEB CCCc1nc2ccccc2c(=O)n1/N=C\c1ccc(Cl)cc1Cl 5329148 WLSRIWIGDVCHTK-NHDPSOOVSA-N 360.244 4.538 30 40 FJEB CC(=O)c1cccc(N[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 28853060 WANQMIZHUQYNBX-WXUSHSQQSA-N 362.473 4.570 30 40 FJEB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc2ccccc2o1 40156548 BFUMAYLRANENDZ-PBHICJAKSA-N 362.429 4.769 30 40 FJEB COc1cc(Br)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O 6453643 QLYFEPJXXPZHQY-KEBDBYFISA-N 364.283 4.551 30 40 FJEB C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 7724798 IOTFJTZAOMXUGC-UHFFFAOYSA-N 365.414 4.551 30 40 FJEB CCOc1ccc([C@@H](C)/N=C(/S)NC2CCCCC2)cc1OCC 13685063 XEWHYZLUJBINKU-CQSZACIVSA-N 350.528 4.753 30 40 FJEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(O)c(C(=O)O)c3)c2C)c1 100116625 PJROAIAITHHQDV-FSJBWODESA-N 362.429 4.865 30 40 FJEB C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2C)c(OCC)c1 216828641 NEEKUIHNZCMVRU-UHFFFAOYSA-N 360.837 4.969 30 40 FJEB Cc1nc(N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)sc1C 1776111434 XBGRACLFRIIGOW-SRZZPIQSSA-N 369.421 4.564 30 40 FJEB Cc1ccc(C)c2c1C(=O)c1c(C)ccc(C)c1C2(O)C#Cc1ccccc1 1564292 TYBUBWOCMSQRDR-UHFFFAOYSA-N 366.460 4.752 30 40 FJEB CCN(CC)c1ccc(/C=N/c2nc3ccc(C(=O)OC)cc3s2)cc1 2843271 SOEFNGRBSMAOOF-FYJGNVAPSA-N 367.474 4.680 30 40 FJEB CCCCOc1ccc(C(=O)O/N=C2\CCCc3ccc(OC)cc32)cc1 5298424 UGPALBOZMSYWKC-XTQSDGFTSA-N 367.445 4.772 30 40 FJEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccc(C)cc1 6743896 OXNWZQYWNZGVCL-UHFFFAOYSA-N 362.433 4.574 30 40 FJEB C=CCN(C(=O)c1nc(Cl)ccc1Cl)c1nc2c(s1)CCCC2 15969136 ACOXFEDFSJZOOK-UHFFFAOYSA-N 368.289 4.557 30 40 FJEB CC1(C)OC(c2ccccc2)=C/C(=C\C=C2C(=O)c3ccccc3C2=O)O1 17186337 CCVFWLDQHFEFDW-FOWTUZBSSA-N 358.393 4.700 30 40 FJEB Cc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C)cc1 408908059 DILHKACPJGCBJG-FOLIBTTPSA-N 361.470 4.721 30 40 FJEB Cc1cccc(Cn2cc(/C=N\Nc3nc(C)cc(C)n3)c3ccccc32)c1 408995488 JQWXSEKLIWXPPQ-CFRMEGHHSA-N 369.472 4.851 30 40 FJEB CCN1/C(=C/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)Sc2ccccc21 13041572 IEVXXFWUKUOEIY-SOXNPBTNSA-N 352.415 4.651 30 40 FJEB CCC1=NN(c2ccccc2)C(=O)/C1=N\c1ccc(N(CC)CC)cc1C 16678281 NLYZRBGZIHCTIC-LNVKXUELSA-N 362.477 4.727 30 40 FJEB Cc1ccccc1-n1c(C)cc(/C=N/N=c2/[nH]c3ccccc3s2)c1C 17197025 JLQDLVJRGNLQHI-LPYMAVHISA-N 360.486 4.880 30 40 FJEB Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)o1 58826505 GPPCBXYGQIFCKJ-UUYOSTAYSA-N 368.458 4.802 30 40 FJEB Cc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1F 101473967 AAWUWECWLVDNCG-UHFFFAOYSA-N 356.159 4.785 30 40 FJEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1C(F)(F)F 225956407 JVIKTSGYSHEVQT-UHFFFAOYSA-N 361.363 4.941 30 40 FJEB Cc1ccc(-c2nnc(S)n2N=Cc2c(Cl)cccc2Cl)cc1 253616972 JFJAJMZKUPRYET-UHFFFAOYSA-N 363.273 4.731 30 40 FJEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1CC 408562728 RUAXRBWIRGVLBG-UHFFFAOYSA-N 374.554 4.850 30 40 FJEB CC(C)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409073548 ZVACPWVQLWGTTI-GIJQJNRQSA-N 363.211 4.937 30 40 FJEB N#Cc1nc([C@H]2C[C@H]2c2cccc(F)c2)oc1N1CCc2ccccc2C1 1775975575 IVDHYFAIMAQJHI-OALUTQOASA-N 359.404 4.519 30 40 FJEB O=C1OCc2cc(-c3ccc(/C=C4\Sc5ccccc5C4=O)o3)ccc21 843760 JYRNOBAHEWKZCU-GRSHGNNSSA-N 360.390 4.947 30 40 FJEB O=C(C[n+]1ccc(Cc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 2684342 LIBSNERNKLYACN-UHFFFAOYSA-N 357.260 4.755 30 40 FJEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14397899 SPVIBQDDOUWIEG-INIZCTEOSA-N 353.462 4.955 30 40 FJEB Cc1cc(/N=C/c2cc(Br)c(N3CCCC3)o2)ccc1F 59302436 PVFIANFTJRKBMV-VXLYETTFSA-N 351.219 4.840 30 40 FJEB COc1cccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)c1O 59461334 MSRFKKQYYFGFHH-DTWZCYEPSA-N 368.414 4.591 30 40 FJEB O=C(O)c1ccccc1-c1ccc(/C=N\Nc2nc3ccccc3s2)o1 96481732 HHMAFYGQLZKZOI-JAIQZWGSSA-N 363.398 4.701 30 40 FJEB Cc1cc(=O)oc2c(/C=N/c3ccc(Cl)c4cccnc34)c(O)ccc12 100922243 UWNGUPHNEWMLOZ-AUEPDCJTSA-N 364.788 4.759 30 40 FJEB N#Cc1ccc(COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 3244876 TXZYPGOJZKAFAG-GZTJUZNOSA-N 351.452 4.965 30 40 FJEB CCOc1ccc(N2[C@H](C#N)c3ccccc3O[C@@H]2c2ccccc2O)cc1 5011972 MCWQQRGTBXLSTJ-NFBKMPQASA-N 372.424 4.953 30 40 FJEB CC(C)CCC[C@H](C)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 9575239 QNRSRQHFEQLMHS-HNNXBMFYSA-N 369.534 4.537 30 40 FJEB FC(F)(F)c1cccc(N/C(S)=N\C2=NN(c3ccccc3)CC2)c1 13636522 VWMRTSFEBGGSPM-UHFFFAOYSA-N 364.396 4.627 30 40 FJEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccccc1 13778850 PUUAGIXUDLEEAM-UHFFFAOYSA-N 372.275 4.579 30 40 FJEB N#Cc1cccnc1SCc1ccc(CSc2ncccc2C#N)cc1 22636468 PMGISAFPWKYKPK-UHFFFAOYSA-N 374.494 4.805 30 40 FJEB Cc1ccc(C)c(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 24976735 TXAAWKPACZCZMZ-OAHLLOKOSA-N 367.518 4.945 30 40 FJEB CCN(C(=O)C1=Cc2cc(Cl)ccc2OC1)[C@H](C)c1ccc(C#N)cc1 48333460 JOYSQPAOWJRTHV-CQSZACIVSA-N 366.848 4.597 30 40 FJEB CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc12 408930911 DRPYGPAQMVJVDY-JJIBRWJFSA-N 360.457 4.826 30 40 FJEB COc1ccc(/C=N/OCc2ccc(C#N)cc2)cc1OCc1ccccc1 3341554 WTLFKWPYZUZDMX-MFKUBSTISA-N 372.424 4.697 30 40 FJEB Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc([N+](=O)[O-])ccc1O 5490768 PJDFBYNLGROMOJ-WSDLNYQXSA-N 372.384 4.903 30 40 FJEB N#Cc1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2s1 6226515 UFUBSFPSDUSOCT-UHFFFAOYSA-N 365.892 4.614 30 40 FJEB O=[N+]([O-])c1cccc(/N=C2/c3ccccc3CN2c2cccc([N+](=O)[O-])c2)c1 13467961 JVKIXVZIUPLZQK-MRCUWXFGSA-N 374.356 4.602 30 40 FJEB COc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)c(C)s2)cc1OC 13895913 CPYHLQSUESGBTA-LPYMAVHISA-N 367.474 4.972 30 40 FJEB COc1ccc([C@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1 15167604 HEBBLJSEIVNQFE-FQEVSTJZSA-N 368.440 4.687 30 40 FJEB COc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)cc1Cl 3115302 ATDHQWHZBLUWLH-FBCYGCLPSA-N 369.204 4.983 30 40 FJEB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccsc1 15016285 KIGGPFKNFGFNIJ-SDQBBNPISA-N 354.378 4.659 30 40 FJEB CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc(N2CCCCC2)c(F)c1 63277456 YLRJORZBSNLOJH-CSKARUKUSA-N 355.457 4.733 30 40 FJEB CC(C)(C#N)CCCSc1cc(C(=O)NC2CC2)c2ccccc2n1 78989544 ZAMMAXCEGNOPSH-UHFFFAOYSA-N 353.491 4.549 30 40 FJEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)Nc1ccccc1 103423799 VDLFHWAXBLOJAG-LYBHJNIJSA-N 362.820 4.529 30 40 FJEB N#CCc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1 225615005 ICCYUBMKBAHZMQ-UHFFFAOYSA-N 373.522 4.502 30 40 FJEB COc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1 409018541 XECQJESOBCFWNN-MOSHPQCFSA-N 355.235 4.999 30 40 FJEB CCN1C(=O)/C(=C\c2cc(C)n(CC)c2C)S/C1=N/c1ccc(F)cc1 409237455 IUIQYBDUBXRKRZ-LMDBJESCSA-N 371.481 4.888 30 40 FJEB C=C(C)COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2C)cc1 12138056 DCLDLFBGMIBINM-UHFFFAOYSA-N 359.853 4.929 30 40 FJEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1F)C2=O 20647661 NEKRBLZXRWKGBJ-MOSHPQCFSA-N 369.436 4.770 30 40 FJEB C=CCOc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccccn2)cc1 28293674 ZNZCYLBWMQKIFI-UHFFFAOYSA-N 362.404 4.633 30 40 FJEB CCCCCCCCOCn1c(=N)n(CCN(CC)CC)c2ccccc21 33353168 BLDBXWFHQLUNLG-UHFFFAOYSA-N 374.573 4.599 30 40 FJEB O=[N+]([O-])c1ccc(/C(Cc2nc3ccccc3[nH]2)=N/Nc2ccccc2)cc1 50704676 LLJFFOUDCRVHGJ-LKUDQCMESA-N 371.400 4.530 30 40 FJEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Br)cc1)C2 100006231 VXYHEEIGJJGNHL-MHAIZMEMSA-N 350.256 4.808 30 40 FJEB CC[C@H](C)Oc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cn1 408910934 MCCXYWHTUYMVJB-CRRPLPBISA-N 364.405 4.766 30 40 FJEB CCc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409406394 QJYHACWYKFSVFO-UHFFFAOYSA-N 353.425 4.508 30 40 FJEB F[C@H](C(F)(F)F)[C@@](F)(Oc1ccc(Br)cc1)C(F)(F)F 627280224 DAPZTXZPQZYDEY-JGVFFNPUSA-N 373.037 4.956 30 40 FJEB C=CCN(Cc1cc(OC)ccc1OC)C(=O)Nc1cccc(Cl)c1 658501 JBDDLUNCWXMZMQ-UHFFFAOYSA-N 360.841 4.577 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C)cc1 8362976 WZHPVNHUDXFLDD-NFYBBCHUSA-N 366.486 4.936 30 40 FJEB N#C[C@H]1[C@@H](c2ccccc2OCc2ccccc2)CC(=O)N1c1ccccc1 26896024 WHACCFHOBSITJA-YADHBBJMSA-N 368.436 4.678 30 40 FJEB C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 71839356 NGKNDMQKLYNKOB-CVEARBPZSA-N 363.505 4.617 30 40 FJEB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N/c1ccc(F)cc1 409224400 HLWXVNVLGPLBBZ-LMDBJESCSA-N 370.449 4.767 30 40 FJEB COc1ccc(Cl)cc1/C=C1/S/C(=N/c2ccc(C)cc2)NC1=O 33526123 YNJDVOZKWNARLK-MHWRWJLKSA-N 358.850 4.549 30 40 FJEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1C 38361154 RDBBZVPBMJHYRM-KDWIEBRMSA-N 352.459 4.546 30 40 FJEB COc1ccc(CCC2CCN(c3snc(Cl)c3C#N)CC2)cc1 65587777 GUQIOVDCQRQSEA-UHFFFAOYSA-N 361.898 4.526 30 40 FJEB N#Cc1ccccc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)o1 409065505 IXTYRHRNWROWIB-BHGWPJFGSA-N 356.307 4.678 30 40 FJEB C#CCSc1nc(-c2ccccc2)nc2c1Cc1cccc(OC)c1O2 9941450 IVJFJTCWXRUZRT-UHFFFAOYSA-N 360.438 4.574 30 40 FJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1C(F)(F)F 12536940 CGUNDIBRJLLDHB-UHFFFAOYSA-N 366.342 4.753 30 40 FJEB C=CCc1cc(CO)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 34772800 DXVLLROMEMZTSK-UHFFFAOYSA-N 353.245 4.802 30 40 FJEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2C)n1CC 408559669 AUVKWZRERQPAQA-UHFFFAOYSA-N 374.554 4.850 30 40 FJEB CCCOc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1 408601921 MDNPHYHEYOHAKA-XKZIYDEJSA-N 351.475 4.857 30 40 FJEB COc1ccc(C(=O)On2c(-c3ccccc3)cc3ccccc32)cc1OC 723793 CHEUWADQQZXVHZ-UHFFFAOYSA-N 373.408 4.595 30 40 FJEB Cc1c(Cl)cccc1NC(=O)C[n+]1ccc(/C=C/c2ccccc2)cc1 2684620 GXNBWYMRIHQMJR-ZHACJKMWSA-O 363.868 4.745 30 40 FJEB COc1ccc(C)cc1Nc1nc(SC)nc(-c2ccccc2)c1C#N 5509604 COJQLYXYFLNQBU-UHFFFAOYSA-N 362.458 4.798 30 40 FJEB CCOc1ccc(/C=C/C(=O)c2cc3cccc(OC)c3o2)cc1OC 7716039 JTLRUZPURLBIFO-CSKARUKUSA-N 352.386 4.745 30 40 FJEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc(C(=O)O)c1 12563021 DYRNZTAUVSGQEI-VZCXRCSSSA-N 370.861 4.987 30 40 FJEB COc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)ccc1OCC(C)C 21274634 REMWLVSTBCDQEX-ONNFQVAWSA-N 365.429 4.528 30 40 FJEB CCCCCCCCCn1nc(Br)nc1Br 100412925 XJPHOGXHYSPJSL-UHFFFAOYSA-N 353.102 4.554 30 40 FJEB Cc1ccccc1OCCn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225862182 WQVQWQNOSYIVDK-UHFFFAOYSA-N 365.864 4.574 30 40 FJEB C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@H]1OC(C)=O 253388413 TUKYTUMQZQFKNX-IVDWBNGSSA-N 360.494 4.748 30 40 FJEB biogenic,in-vitro CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1cc(C)ccc1C 408910094 WEJGYKYEEOJUNI-NFYBBCHUSA-N 366.486 4.936 30 40 FJEB CCN1C(=O)/C(=C/c2cc(C)n(CC)c2C)SC1=Nc1ccccc1 409094783 GEFLIHHCKQQLES-JEFZPDFESA-N 353.491 4.749 30 40 FJEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 842232 XRFOVOSIQISMBB-HYARGMPZSA-N 360.369 4.873 30 40 FJEB Cc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1 1223962 JNZBAJCYFSPEGL-UHFFFAOYSA-N 361.470 4.763 30 40 FJEB N#Cc1ccc(C(=O)Nc2c(C(=O)c3cccs3)oc3ccccc23)cc1 3428286 KLXXWXLUPJFFHE-UHFFFAOYSA-N 372.405 4.849 30 40 FJEB CCN(CC)c1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 7995301 BOWCZZHREOUPNF-UHFFFAOYSA-N 354.523 4.881 30 40 FJEB COc1ccccc1/C=C1\S/C(=N\c2cccc3ccccc23)NC1=O 12032521 LUBSDBSKCKCSSV-UYRXBGFRSA-N 360.438 4.740 30 40 FJEB COc1ccc(/C=C2\Oc3ccc(OC(=O)c4ccccc4)cc3C2=O)cc1 12661778 VPUHWLYXYJCVSS-BKUYFWCQSA-N 372.376 4.531 30 40 FJEB biogenic CCN(C[C@H](C)C#N)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 72309847 JVWOLWDKBDGUHH-CQSZACIVSA-N 352.438 4.504 30 40 FJEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 215263238 GYHCLYYTOMUEEF-LZYBPNLTSA-N 372.808 4.587 30 40 FJEB CC(C)Cc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N 225893398 WQUPPRMPBRAFLA-UHFFFAOYSA-N 367.305 4.728 30 40 FJEB C=CCNC(=O)C1(Cc2ccc(-c3cc(C)cc(C)c3)cc2)CCOCC1 257327142 XADIVIAQDNQEDZ-UHFFFAOYSA-N 363.501 4.612 30 40 FJEB CCOC(=O)C1=C(C)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)s1 1084993 JPZCTSVFFQFAFK-LJQANCHMSA-N 374.502 4.905 30 40 FJEB COc1ccc2oc(=O)c(-c3csc(N/N=C(/C)CC(C)C)n3)cc2c1 4822318 QMERJHJNBUXNIK-MTJSOVHGSA-N 371.462 4.759 30 40 FJEB N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(C(F)(F)F)cn1 41552789 PFCZRBWZZPWNJP-AWEZNQCLSA-N 364.754 4.662 30 40 FJEB CCOc1ccc(C(=O)/C=C/Nc2cc(OCC)ccc2OCC)cc1 51318788 VLZFQKMDCODHOA-BUHFOSPRSA-N 355.434 4.691 30 40 FJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1Cl 69374816 VQEOJIILXZONKJ-QAPCUYQASA-N 360.862 4.721 30 40 FJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3S)c2C)cc1 408742859 QEYGVYLJLXIMLO-LPYMAVHISA-N 364.470 4.920 30 40 FJEB CCOc1ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1Cl 408785068 XSHHNFCTIUUACX-BOPFTXTBSA-N 372.877 4.939 30 40 FJEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(C#N)cc1 622103 CCJBJBOJVJXXAJ-UHFFFAOYSA-N 374.484 4.531 30 40 FJEB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3C#N)cc12 686981 SIKGOTMCYLLDII-UHFFFAOYSA-N 358.426 4.519 30 40 FJEB CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 20468457 JBXDLGXGJVELNP-QFIPXVFZSA-N 364.445 4.833 30 40 FJEB C=CCc1cc(C(=O)NCCCc2ccc(C(C)C)cc2)ccc1OC 218660915 ZDCTXCIJGXXNHO-UHFFFAOYSA-N 351.490 4.910 30 40 FJEB C=CCOc1cccc(NC(=S)NCCCc2ccccc2OCC)c1 225397868 GNLOQYYADMUMAV-UHFFFAOYSA-N 370.518 4.569 30 40 FJEB Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408955279 XXFXPNMYTCBBAT-JJFYIABZSA-N 368.820 4.902 30 40 FJEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 409057911 MWFYJTKXAMVMNF-ATVHPVEESA-N 369.829 4.593 30 40 FJEB CCOc1ccc(/N=C/c2cc(Br)c(OC)cc2OC)cc1 1233770 WJUWPIMCJPRNIQ-YBFXNURJSA-N 364.239 4.616 30 40 FJEB COc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)c(OC)c1OC 12766658 LXWOUGDSKQWINF-GQCTYLIASA-N 373.257 4.977 30 40 FJEB Cc1sc(NC(=S)NC(=O)c2cccc3ccccc23)c(C#N)c1C 408627590 MBNASENMQMMMSD-UHFFFAOYSA-N 365.483 4.517 30 40 FJEB O=C(/C=C/c1ccco1)C(C(=O)c1ccccc1)=C1SCCCS1 1083790 KFDJCYSFYPKHDS-MDZDMXLPSA-N 356.468 4.827 30 40 FJEB CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21 4029603 RDKWTBULQNEFPV-JCTONOIOSA-N 368.541 4.718 30 40 FJEB biogenic N#Cc1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)cc1 8590978 NMDQVBSPQNGOJD-UHFFFAOYSA-N 372.247 4.663 30 40 FJEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCC[C@@H](C)C2)C1=O 9476679 QKWUDUSLAZBPFH-CCOVPTLTSA-N 369.486 4.610 30 40 FJEB biogenic O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cccn1-c1ccccc1 33695687 LMNLSIZAQKXWBY-AQTBWJFISA-N 363.417 4.508 30 40 FJEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ccccc2Cl)o1 45244382 VOFLHKVARTYLAF-UHFFFAOYSA-N 350.805 4.744 30 40 FJEB Cc1ccccc1OCCn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225862204 GCZCZWBRTBFELN-UHFFFAOYSA-N 365.864 4.574 30 40 FJEB O=[N+]([O-])c1cccc(CO/N=C/c2cccn2-c2ccc(Cl)cc2)c1 408591694 JYVNVCAGAWMYEP-UDWIEESQSA-N 355.781 4.590 30 40 FJEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(F)(F)F)cc3)S2)cc1 408961293 MIMBEYAZIWDPMO-XNTDXEJSSA-N 362.376 4.905 30 40 FJEB C=CCOc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 409345931 MTVQYJBIEHAZEU-AQTBWJFISA-N 367.495 4.653 30 40 FJEB COC(=O)c1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 656965 UBPRZRBOERYIIO-ZVHZXABRSA-N 356.425 4.744 30 40 FJEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1Cl 1740650 USMGBUYIRJSYPG-OEAKJJBVSA-N 359.816 4.599 30 40 FJEB CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 4786015 XZZTXAZMJUWECT-IPZKOZABSA-N 374.934 4.647 30 40 FJEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccn1 5137627 KRXVLRMJHHQDGV-JOCHJYFZSA-N 355.441 4.830 30 40 FJEB COc1cc(/C=N/Nc2nc3ccccc3o2)ccc1OCc1ccccc1 5544007 KBLYEANSGQKGOJ-OEAKJJBVSA-N 373.412 4.861 30 40 FJEB CCOC(=O)c1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)cc1 16840720 QIEYGBQXIPCMBG-UHFFFAOYSA-N 351.793 4.680 30 40 FJEB COc1cccc(/C=N/c2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1O 100502860 QXKBGCOAKLEIOU-FSJBWODESA-N 374.396 4.974 30 40 FJEB CC(C)c1cnc(N=C(O)N2CCCn3c(cc4ccccc43)C2)s1 329231176 FBAJPBAQBPKJLX-UHFFFAOYSA-N 354.479 4.673 30 40 FJEB CCOc1cccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)c1 408916725 YVZWDNIYGCBYTC-KLPPEWMLSA-N 366.486 4.882 30 40 FJEB C=C(C)CSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 1241597 NXOQJNNVMOGBJK-UHFFFAOYSA-N 366.530 4.874 30 40 FJEB C=C(C)COc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 8570673 ACDZDDQMZOJXAN-UHFFFAOYSA-N 364.214 4.795 30 40 FJEB C=CCOc1ccc(CN(C)C(=O)Nc2nc3ccccc3s2)cc1 9711523 FOGJGIKKGYKAHQ-UHFFFAOYSA-N 353.447 4.525 30 40 FJEB CC(=O)c1ccc(/N=C2\SCCCN2C(=O)c2ccc(C)cc2C)cc1 12654882 XJODJYCUSXJAAA-DQRAZIAOSA-N 366.486 4.773 30 40 FJEB CCCCCCCCCCCCCCCCN(CC(=O)O)CC(=O)O 100069858 AFPRBBQKUYJMJD-UHFFFAOYSA-N 357.535 4.939 30 40 FJEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225045231 PJDHWULHAZYRQF-UHFFFAOYSA-N 357.862 4.875 30 40 FJEB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225841266 VYVXEBPLDOMGJO-KKSFZXQISA-N 360.498 4.905 30 40 FJEB Cc1ccc(/N=C/c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cc1Cl 1505840514 KALBDUOEGLGYQJ-BHGWPJFGSA-N 374.831 4.673 30 40 FJEB N#CCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3 1554667 OYIIOLJNSPALSW-UHFFFAOYSA-N 364.408 4.586 30 40 FJEB N#Cc1ccc(OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 3367921 VNBLZPLRWJQCMH-UHFFFAOYSA-N 358.422 4.767 30 40 FJEB C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N(Cc1ccccc1)C(=O)c1ccccc1 4027234 XXGFUSUNUFURBD-BQHIXWCGSA-N 359.469 4.848 30 40 FJEB biogenic O=C(O/N=C(\c1ccccc1)c1cccnc1)c1cc(Cl)ccc1Cl 12653782 HLJOUROAALBDKY-PTGBLXJZSA-N 371.223 4.998 30 40 FJEB C=CCN(C(=O)c1ccc(SC)cc1OC)c1nc2ccccc2s1 14181796 WHCOWTDCGGEFGX-UHFFFAOYSA-N 370.499 4.860 30 40 FJEB CCOc1cc(/C=C2\CC/C(=C(/O)C(F)(F)F)C2=O)cc(Cl)c1O 408563860 QZTUQIIUXSSVNP-LFKWHJGZSA-N 362.731 4.565 30 40 FJEB Cc1ccc(NC(=O)COc2cccc(/C=N\Nc3ccccc3)c2)cc1C 409005520 DYHWAPXAKNOFRX-IWIPYMOSSA-N 373.456 4.767 30 40 FJEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@@H]3CC[C@@]21CC 888087337 KIQQMECNKUGGKA-QASJRYCWSA-N 369.505 4.715 30 40 FJEB N#Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1Cl 2646595 LXGZYBVABXFPSC-UHFFFAOYSA-N 362.816 4.896 30 40 FJEB C[C@@H]1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C#N)C1 4167553 IJVOECMVHGVFFU-CYBMUJFWSA-N 356.516 4.865 30 40 FJEB N#Cc1ccccc1COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13102226 IZXIRGRETOZTPY-AYHJJNSGSA-N 373.543 4.604 30 40 FJEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 13121912 SXPBUZSSJCLJHI-QFIPXVFZSA-N 355.441 4.881 30 40 FJEB Cc1ccc(Cc2nn(Cc3ccc(Cl)c(Cl)c3)c(N)c2C#N)cc1 225846835 DVHAFTKDVIZWGM-UHFFFAOYSA-N 371.271 4.591 30 40 FJEB Cc1c(Cl)cccc1/N=C/c1ccc(O)c(I)c1 408905076 SSHMGAYASLQDDL-CAOOACKPSA-N 371.605 4.709 30 40 FJEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2)C(=O)N1CC 408915521 PUMOVGZRVCAANY-KLPPEWMLSA-N 366.486 4.882 30 40 FJEB