smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(NOC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 723563 RETMHFHPXBVDHX-UHFFFAOYSA-N 354.587 3.604 30 50 FHEA C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccncc1 778531 NJKGEZWWZVSXRY-UHFFFAOYSA-N 366.446 3.510 30 50 FHEA CC1(C)OB(C2CCN(C(=O)c3cccc4ccncc34)CC2)OC1(C)C 864236112 YJIFEYQEMVAFPS-UHFFFAOYSA-N 366.270 3.933 30 50 FHEA CN(C)N1C(=O)C[C@H](c2c(F)cccc2Cl)C2=C1CC(C)(C)CC2=O 1422736 DKTRTWBAOSFNPH-LLVKDONJSA-N 364.848 3.915 30 50 FHEA C=CCNC(=O)N1CC[C@@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1 11945180 OAGZHZONWMKQNC-QFIPXVFZSA-N 369.509 3.520 30 50 FHEA CCOc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1O 19849076 UWXFNDRYKAHZMG-HYARGMPZSA-N 373.884 3.596 30 50 FHEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)N1CCc2ccc(C(C)=O)cc2CC1 2325807052 WRXUNYQSTFIMRY-ZHRRBRCNSA-N 357.494 3.560 30 50 FHEA COC(=O)c1sc(NC(=O)c2csc3c2CCCC3)c(C#N)c1C 1056131 FMNGSYGQKFUASR-UHFFFAOYSA-N 360.460 3.907 30 50 FHEA C=CCOc1c(Cl)cc(CN[C@H](CC)c2ncnn2C)cc1Cl 55225423 IDBDBIZIKQAZSM-CQSZACIVSA-N 355.269 3.928 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc(C(=O)O)cc2)CC(=O)O3)C1=O 217926948 OKRUSGBVXGLKGE-CQSZACIVSA-N 364.353 3.695 30 50 FHEA biogenic C=C(C)[C@@H]1CC=C(CN2CCC(CCC(=O)N3CCOCC3)CC2)CC1 11878875 XPTSWRKVGKYRHA-OAQYLSRUSA-N 360.542 3.640 30 50 FHEA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CB1OC(C)(C)C(C)(C)O1 1772715789 PUMCVEMPABFXIP-CHWSQXEVSA-N 355.284 3.839 30 50 FHEA N#Cc1ccccc1NC(=O)CSc1nccn1CCc1ccccc1 4013949 AZDGRLSRUUOPJC-UHFFFAOYSA-N 362.458 3.728 30 50 FHEA COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(F)c2)c1C#N 4973762 ADZXIYIOGUXXCZ-UHFFFAOYSA-N 359.426 3.586 30 50 FHEA Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2c(C)noc2n1 13642191 SOSNZNYHDGCPDZ-UHFFFAOYSA-N 352.419 3.904 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)[C@H](C)n1cnc2ccccc2c1=O 55071616 ORARGDJOJMVMBL-HNNXBMFYSA-N 367.474 3.542 30 50 FHEA Cc1c(NC(=O)c2ccccc2OCC#N)cnn1-c1cccc(Cl)c1 152012981 JFNUCDNOHDJMIM-UHFFFAOYSA-N 366.808 3.989 30 50 FHEA CN(Cc1cc(C#N)ccc1F)C(=O)CN1CCCc2cc(Cl)ccc21 225511286 BKCRDFFXJODUGN-UHFFFAOYSA-N 371.843 3.762 30 50 FHEA COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)cc1OC 252429358 HBJZKYAYKAKCRG-UHFFFAOYSA-N 374.853 3.787 30 50 FHEA Cn1ncc2c1C[C@H](C(=O)Nc1sc(-c3ccccc3)cc1C#N)CC2 281847077 LXXISKRKOQWNSD-CQSZACIVSA-N 362.458 3.764 30 50 FHEA N#CC1(CNC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)CCC1 333550036 PDQUTTOVANQFGQ-UHFFFAOYSA-N 372.416 3.745 30 50 FHEA C=CCC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cn1)c1ccccc1 495026593 JRRPLWASDPNRDI-FQEVSTJZSA-N 364.493 3.522 30 50 FHEA COC(=O)O[C@@H]1C=CC(=O)[C@H](C2c3ccccc3CCc3ccccc32)O1 71769412 SBYGZTOCAMEYRE-TZIWHRDSSA-N 364.397 3.550 30 50 FHEA C#CCSc1nnc(NC(=O)CSc2ccc3ccccc3n2)s1 334160541 HBUVTUJZQVBKIH-UHFFFAOYSA-N 372.500 3.542 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)N=N1 952880563 GRIZKNIQKZLGCV-HOTGVXAUSA-N 354.454 3.594 30 50 FHEA C=CCc1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)ccc1OC 952961343 FUSPUYBKLQRGRQ-FQEVSTJZSA-N 366.461 3.640 30 50 FHEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)N1CCc2ccc(C(C)=O)cc2CC1 2325807051 WRXUNYQSTFIMRY-OPAMFIHVSA-N 357.494 3.560 30 50 FHEA O=C(C/N=C(/O)NC1CCCCC1)N1CCCC[C@H]1c1ccc(F)cc1 330085113 RGFHLQGHSZTHIE-SFHVURJKSA-N 361.461 3.716 30 50 FHEA COc1cc(C(=O)O/N=C(\C)c2ccc(Cl)cc2)cc(OC)c1OC 4523800 ZYOGBBDELITAHV-RGVLZGJSSA-N 363.797 3.947 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1 8564762 AYWWAQZGYZKPDN-INIZCTEOSA-N 368.389 3.924 30 50 FHEA OC(=Nc1nc2c(s1)CCCCC2)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 329790459 TWMRDDWJZNJYSZ-GOEBONIOSA-N 361.511 3.991 30 50 FHEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)cc1 32577546 OEOGDYAVHWAJDN-BKUYFWCQSA-N 355.463 3.778 30 50 FHEA C/C(=C\C(=O)c1cccnc1)Nc1ccc(I)cc1 5561321 CFIPKJJAGJUICW-PKNBQFBNSA-N 364.186 3.885 30 50 FHEA CCCN1CCN(C(=O)COc2ccc(CC#N)cc2)c2ccc(F)cc21 170611437 VSRIGRSXYVXCMS-UHFFFAOYSA-N 367.424 3.534 30 50 FHEA Cc1ccc(C)c(-n2ncc(NCc3cnc4ccc(C#N)cn34)c2C)c1 180362659 VEORRXDNMCUYCE-UHFFFAOYSA-N 356.433 3.929 30 50 FHEA CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2ccc(O)cc2O)cc1 239038903 FDHREDWHQNDUKI-UHFFFAOYSA-N 368.462 3.825 30 50 FHEA N#Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)cc1 1875271796 XBKXOGFJBXGSBP-XYJFISCASA-N 374.362 3.530 30 50 FHEA C#CCCC1(CCC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)N=N1 2325886035 ARNMOHZPQVYVEX-HXUWFJFHSA-N 361.445 3.859 30 50 FHEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CCC[C@H]2C(O)=NC[C@H]21 328726856 ZXCSTTWDUZZZIC-IEBWSBKVSA-N 364.449 3.577 30 50 FHEA N#Cc1ccc(CN2CCC(c3nccn3Cc3cscn3)CC2)cc1 91808242 NEWRWLRSJYDHPX-UHFFFAOYSA-N 363.490 3.639 30 50 FHEA COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3C(=O)C[C@@]12C 257359331 ZRBBCVQLZFVRCK-PDTTXDJCSA-N 354.446 3.573 30 50 FHEA Cn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1799150 BWFYBPCGDRGUSQ-UHFFFAOYSA-N 351.475 3.821 30 50 FHEA C[C@H](/N=C(/O)[C@H]1CCC(=O)c2ccccc21)C(=O)N1Cc2ccccc2C1 328899379 XHUMVPLMHFYHGW-LIRRHRJNSA-N 362.429 3.634 30 50 FHEA CC(C)O[C@@H](C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccccc1 1875366725 CYZIVCUMWWCNIY-ZWKOTPCHSA-N 373.302 3.847 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc(-c3nc(O)cc(CC)n3)c2)N=N1 2325892283 HSTNUOKUSLPRLV-UHFFFAOYSA-N 363.421 3.706 30 50 FHEA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cccc(C#N)c3)C2)[C@@H]2CCCCN12 2356141003 USZBLALGRXOAJZ-WOZUAGRISA-N 351.494 3.673 30 50 FHEA CCSc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)o1 4014586 VQSOOZRIVFOQDB-KRWDZBQOSA-N 361.463 3.841 30 50 FHEA C=CCn1nc(C)c([C@H]2c3nc[nH]c3CCN2Cc2cc(C)c(C)o2)c1C 72426108 FZWJLZOCHSGVHT-NRFANRHFSA-N 365.481 3.767 30 50 FHEA N#Cc1ccccc1-c1ccc([C@H]2CC(=O)NCc3nc4sccn4c32)o1 65405795 FJYXPPKEFFILAO-CQSZACIVSA-N 374.425 3.679 30 50 FHEA C=CCn1cc(CN2CCC3(CC2)CCN(C(=O)CC(C)(C)C)CC3)cn1 72161332 CNLCAGFXDHITSK-UHFFFAOYSA-N 372.557 3.710 30 50 FHEA C#CCCC1(CCNC(=O)CCc2nc3cc(Cl)ccc3s2)N=N1 1875380975 GEQFMWHDSFNYLE-UHFFFAOYSA-N 360.870 3.964 30 50 FHEA CC[C@H](C)[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(Cl)cc1 2325850062 KWUWELXZDUDTKY-SGTLLEGYSA-N 369.856 3.837 30 50 FHEA N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1SCC(N)=O 668134 MEWSONBFQNKSGU-UHFFFAOYSA-N 351.456 3.926 30 50 FHEA Cc1cc(Nc2cc(C)c(C#N)c(N[C@@H](C)CCCC(C)(C)O)n2)n[nH]1 71295347 XHHRGYCOEVNAKV-ZDUSSCGKSA-N 356.474 3.778 30 50 FHEA in-vitro Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(C#N)ccc3C)cc2)o1 172123605 AGVOENPZYZOHAA-UHFFFAOYSA-N 353.403 3.631 30 50 FHEA C[C@]12C=CC(=NOCC(=O)O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 253533798 RLZYCYTZQGHRMD-RGRLZIOBSA-N 373.493 3.933 30 50 FHEA biogenic C=CCOc1cccc(C(=O)NC[C@H]2CC(Cc3cccc(F)c3)=NO2)c1 11967748 XDEBLGZSBYVMDE-HXUWFJFHSA-N 368.408 3.508 30 50 FHEA C/C(=N\C(S)=N\c1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1 13638359 HHILCKLECZUKQQ-UHFFFAOYSA-N 361.492 3.618 30 50 FHEA CCOC(=O)C1(Cc2ccccc2)CCN(CC#Cc2ccccc2)CC1 15066578 NGLYHUIPORQOON-UHFFFAOYSA-N 361.485 3.926 30 50 FHEA COc1ccccc1N1CCN(/N=C\c2cccc(Br)c2)CC1 4482734 OPUVRBNAQFAWOO-ZHZULCJRSA-N 374.282 3.614 30 50 FHEA C#CCCC1(CCC(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)N=N1 952883732 ZFOPSNBJUWKBHN-FQEVSTJZSA-N 366.509 3.932 30 50 FHEA C=CCCc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 2325819789 QAIZSGYJRFKQQG-UHFFFAOYSA-N 366.436 3.543 30 50 FHEA CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccccc1Cl 1190685 KMTQGYINHWEEBR-LSHDLFTRSA-N 356.813 3.791 30 50 FHEA CC(C)c1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1 1217723 FZGRQACXVCDGLO-LANLRWRYSA-N 351.475 3.974 30 50 FHEA CCCCSc1nnc(C(F)F)n1/N=C/c1cccc([N+](=O)[O-])c1 13961094 ZXBNLNWXKJYKHK-RQZCQDPDSA-N 355.370 3.898 30 50 FHEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 19315142 SMGPLZYAYNCHSS-KRWDZBQOSA-N 370.405 3.516 30 50 FHEA C=CCSc1nnc([C@@H]2CCCN(C/C=C/c3ccccc3)C2)n1C 20271236 LBUPVWHKPAHXPX-JGZYNSJSSA-N 354.523 3.986 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](c2ccccn2)c2ccccc2OC)N=N1 2325892016 YIRAKZJMRWANTE-HXUWFJFHSA-N 362.433 3.652 30 50 FHEA O=C(Nc1ccc2c(c1)OCO2)c1ccc(C#CC2(O)CCCCC2)cc1 9189887 FJNKOJLJFHBGJJ-UHFFFAOYSA-N 363.413 3.714 30 50 FHEA CCCC(=O)C1=C(Nc2ccc(C)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O 100319523 GRUWUNXUKKHSRB-SFHVURJKSA-N 357.450 3.818 30 50 FHEA Cc1nc(NC(=O)c2cnc([C@@H]3CCCO3)s2)sc1SCC#N 119530108 AZMKMZZCMNIXKM-VIFPVBQESA-N 366.493 3.628 30 50 FHEA Cc1cc(F)ccc1C1CCN(/C(O)=N/[C@@H]2CCc3nc[nH]c3C2)CC1 330216715 NIGRSPZOVDKLOB-MRXNPFEDSA-N 356.445 3.508 30 50 FHEA C#CC[C@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 756954308 WXGJMMYJDVVYBR-SFHVURJKSA-N 355.401 3.698 30 50 FHEA O=C(/C=C/c1ccc(Br)cc1)C1C(=O)c2ccccc2C1=O 100943486 JAVQJOTUCCJDGD-JXMROGBWSA-N 355.187 3.727 30 50 FHEA CCCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)[C@@H](C(=O)OC)C1=O 805836 MBEZIZKGGBBAJC-GOSISDBHSA-N 357.450 3.818 30 50 FHEA N#C[C@@]1(NC(=O)c2ccc3c(c2)CCCCC3=O)CCc2ccccc2C1 329830021 SIQMXWDZWQRFCW-HSZRJFAPSA-N 358.441 3.777 30 50 FHEA COc1ccc(-n2cc(-c3cc(-c4ccoc4)c(C#N)c(N)n3)cn2)cc1 71759265 WTXHNXSQXADZDD-UHFFFAOYSA-N 357.373 3.657 30 50 FHEA Cc1cc(C)c(C#N)c(N2CCC(c3nccn3Cc3ccccn3)CC2)n1 91288964 CDVKPXXSKGZAEK-UHFFFAOYSA-N 372.476 3.594 30 50 FHEA CS(=O)(=O)OCP(=O)(OCc1ccccc1)OCc1ccccc1 498050794 RXZOCULTXAHDSQ-UHFFFAOYSA-N 370.363 3.547 30 50 FHEA CC[C@@H](C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 9418918 PHXCWAHQAWXZGO-QGZVFWFLSA-N 374.448 3.592 30 50 FHEA C=CCOc1ccccc1CN(CC)Cc1cc(OC)c(O)c(OC)c1 55154647 WGTNWEHVQSVVHI-UHFFFAOYSA-N 357.450 3.996 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cnc(SC)[nH]c1=O 55575219 ASOKEVJYYZWDIU-WBVHZDCISA-N 367.474 3.580 30 50 FHEA N#Cc1ccc(CN2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)cc1 95507449 MVXDJYBSNMETOY-UHFFFAOYSA-N 359.473 3.573 30 50 FHEA CC(=O)N1CCCN(c2ccc(F)cc2N=C(O)[C@@H]2C[C@H]2C2CC2)CC1 329883310 QWZNJQVGPBBAHS-DLBZAZTESA-N 359.445 3.518 30 50 FHEA Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 8740946 NVSMULMEAAKZFT-IBGZPJMESA-N 374.396 3.762 30 50 FHEA Cn1cc(-c2cc(-c3cccnc3)nc(N)c2C#N)c(-c2ccccc2)n1 67772691 FYMQCRIOCOPTBD-UHFFFAOYSA-N 352.401 3.665 30 50 FHEA Cc1cc2cc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)oc2cc1C 173466663 AJDKXGXYUIWZGG-FQEVSTJZSA-N 373.456 3.900 30 50 FHEA N/C(=N\OC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 5090925 NCQHZQANYWIBKA-UHFFFAOYSA-N 353.603 3.580 30 50 FHEA OCCC#Cc1ccc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1 15074878 DMEJVUASLYUXDI-HXUWFJFHSA-N 370.443 3.775 30 50 FHEA N#Cc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)cc1F 333931348 ZXOABVOCRGKRJR-GOSISDBHSA-N 370.449 3.656 30 50 FHEA COc1cccc([C@H]2CCCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)c1 952987497 OBHKWDVHPYRLMK-LJQANCHMSA-N 367.445 3.778 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccncc2)nnc1-c1ccccc1C 2544614 DILITXCXCIOOQT-UHFFFAOYSA-N 365.462 3.565 30 50 FHEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl 4906479 RPMUGDOAZFFYQX-KRWDZBQOSA-N 371.820 3.565 30 50 FHEA N#CC1(c2ccccc2)CCN(C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 299774474 IUUINSYMKKZIFG-IBGZPJMESA-N 359.473 3.597 30 50 FHEA COc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1Br 1214112 DXCBZBCVRRSISO-XSFVSMFZSA-N 374.282 3.614 30 50 FHEA C=CCc1ccc(OCCOCCOc2ccccc2[N+](=O)[O-])c(OC)c1 2994688 QUCQPZWXIXCEBC-UHFFFAOYSA-N 373.405 3.806 30 50 FHEA C=C(C)COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 6715895 VVQATHOSZCTMTQ-UHFFFAOYSA-N 354.425 3.743 30 50 FHEA COC(=O)c1nn(-c2ccccc2)c(Sc2ccccc2)c1/C=N/O 13143112 WLVSPXRZTCKCPO-XDHOZWIPSA-N 353.403 3.618 30 50 FHEA Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(C)n1C(C)C 114441806 FLFCKLRTXQCSTP-FQEVSTJZSA-N 364.493 3.536 30 50 FHEA CC1(C)OB(c2cc(C(F)(F)F)c3nc(S)sc3c2)OC1(C)C 170005747 WIYBFPANJGVYIR-UHFFFAOYSA-N 361.219 3.903 30 50 FHEA C=C(C)[C@@H]1CC=C(CN2CCC(CNC(=O)Cc3cccnc3)CC2)CC1 827854385 QQLMPSIRVWZYAA-JOCHJYFZSA-N 367.537 3.755 30 50 FHEA CCOc1ccc(OCc2ccc(/C=C/C(=O)c3cnn(C)c3)o2)cc1 6554326 MZJVJQPXANTEKT-ZHACJKMWSA-N 352.390 3.887 30 50 FHEA O/C(=N/[C@@H]1CC=C(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2C[C@@H]1O 329302390 WTQMGQXLSUQXGO-HLAWJBBLSA-N 366.436 3.924 30 50 FHEA CC(C)c1noc([C@H](/N=C(/O)c2cccnc2C2CC2)C2CCOCC2)n1 330282553 VLJWZZOMHOJCCS-QGZVFWFLSA-N 370.453 3.938 30 50 FHEA N#Cc1cccc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 64480654 WDTKBPWCTXROES-UHFFFAOYSA-N 353.853 3.560 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccccn2)C2CCCCC2)o1 952968229 BPLLNWIQDZKWKY-UHFFFAOYSA-N 366.461 3.772 30 50 FHEA Cc1ccc(C(=O)NC2CCN(c3c(Cl)cccc3C#N)CC2)s1 301425372 TWFLZVAEVHBFRR-UHFFFAOYSA-N 359.882 3.980 30 50 FHEA CC(C)C#CC(=O)N1Cc2cnn(-c3ccc(F)cc3)c2CC(C)(C)C1 952894972 VOPCWIAAXSWGIY-UHFFFAOYSA-N 353.441 3.582 30 50 FHEA COc1ccc([C@@H]2CN(Cc3ccccc3C#N)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71761393 GGXJTTZLTLSCNA-RBZQAINGSA-N 373.500 3.629 30 50 FHEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 5646524 ZHNDHBRMBMLIPC-NRFANRHFSA-N 373.456 3.997 30 50 FHEA COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccnc2)cc1 9306653 HZMQAEDXABGDFV-UHFFFAOYSA-N 360.417 3.551 30 50 FHEA COc1ccc(-c2cc(-c3cc(O)ccc3OC)c(C#N)c(N)n2)cc1F 67856274 FNQAQWLSXPERAQ-UHFFFAOYSA-N 365.364 3.731 30 50 FHEA OC(=Nc1nc2c(s1)CCCCC2)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 329790458 TWMRDDWJZNJYSZ-GDBMZVCRSA-N 361.511 3.991 30 50 FHEA C=CCNc1nc(N2CCN(Cc3ccccc3)CC2)nc2ccccc12 41150771 HJJCEKWHJJZIQS-UHFFFAOYSA-N 359.477 3.550 30 50 FHEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(OC)c2)c1 1269651 STRPJLLDEDNLMM-YBFXNURJSA-N 370.434 3.603 30 50 FHEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccnc2)C1=O 4477955 ZEWADIBQLJHVBT-PTNGSMBKSA-N 352.415 3.625 30 50 FHEA CC1(C)CC(=O)C(=CNc2ccc(I)cc2)C(=O)C1 1207252 OOFMAWISACQPBV-UHFFFAOYSA-N 369.202 3.545 30 50 FHEA N#CC1(CS(=O)(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CCCC1 333140218 YPBTWDFROJTNMT-STQMWFEESA-N 352.422 3.501 30 50 FHEA C#CCCC1(CCC(=O)NCc2cccnc2Oc2cccc(F)c2)N=N1 2325892221 FHYTWPPMRUHTOC-UHFFFAOYSA-N 366.396 3.985 30 50 FHEA O=C(C[C@@H]1S/C(=N\N=C2CCCCCCC2)NC1=O)Nc1ccccc1 5450626 BPFJLMSPFSJVSW-INIZCTEOSA-N 372.494 3.703 30 50 FHEA O[C@](C#C[C@](O)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F 12955475 CAWQSBSWIGDWAY-IYBDPMFKSA-N 374.280 3.890 30 50 FHEA COc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)ccc1O 100288907 UOSWKGRDGWNSQT-LZYBPNLTSA-N 351.156 3.822 30 50 FHEA COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1O 217681970 OZZLSMBAHSNVKW-CYBMUJFWSA-N 366.369 3.711 30 50 FHEA biogenic CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C#N)C1 239174425 QAGUHPZMIFAYBW-MRVWCRGKSA-N 360.479 3.964 30 50 FHEA COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC 328596984 CESJDEUZCDKEGD-RMKNXTFCSA-N 358.390 3.626 30 50 FHEA CC[C@@H](CC(C)C)C(=O)NCC1CCN(Cc2ccc(C#N)cc2)CC1 2325867453 WNNMYABDLKMFNN-NRFANRHFSA-N 355.526 3.959 30 50 FHEA COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1 3410540 PBKMIUYACIOWNO-UHFFFAOYSA-N 364.380 3.864 30 50 FHEA C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 225622985 SINULQWKAWXNTC-UYAOXDASSA-N 371.456 3.588 30 50 FHEA C=C(C)CN(CC)Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C 55118756 FWHAXPLQDAFXBT-UHFFFAOYSA-N 355.548 3.509 30 50 FHEA COc1nccc(-c2cccc(C(=O)N(C)C3CCSCC3)c2)c1C#N 299765051 TUIFACOUTBGMCQ-UHFFFAOYSA-N 367.474 3.596 30 50 FHEA C#CCCC1(CCNC(=O)Cc2csc(NC3(C)CCCC3)n2)N=N1 2325891411 FCDIQYUXPJHFHO-UHFFFAOYSA-N 359.499 3.512 30 50 FHEA Clc1ccccc1OCCn1cc(/C=N/n2cnnc2)c2ccccc21 2978286 KVHQGPOEXICDSN-FOKLQQMPSA-N 365.824 3.847 30 50 FHEA N#Cc1cc2c(nc1SCC(=O)NC13CC4CC(CC(C4)C1)C3)CCC2 5588965 BBNIDKISSCQTPO-UHFFFAOYSA-N 367.518 3.619 30 50 FHEA CCOc1cccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 3899604 BZTUWLBJGYVUKO-LJQANCHMSA-N 369.461 3.862 30 50 FHEA COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1C(=O)O 4739297 HAALREMORCDXAD-UHFFFAOYSA-N 368.385 3.521 30 50 FHEA CCOC(=O)O[C@H]1C=CC(=O)[C@H](C(c2ccccc2)c2ccccc2)O1 71769428 CRSWRKWFHGPIFF-AZUAARDMSA-N 352.386 3.842 30 50 FHEA COc1cc(CCN=C(NCC2CCCCC2)NC2CCC2)cc(OC)c1 2325864081 GJAXIFQKJVHDNP-UHFFFAOYSA-N 373.541 3.914 30 50 FHEA C=CCOC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1 2993493 MHTDHYYQRWZVJE-UHFFFAOYSA-N 366.369 3.577 30 50 FHEA biogenic C=CCC[C@H](CN(C)C1CCN(C)CC1)Oc1cc(C(C)C)nc(C)n1 67757042 OZLIGKUMIMZMKC-LJQANCHMSA-N 360.546 3.648 30 50 FHEA COc1ccc(C(=O)C[N@@+]2(C)CCc3[nH]c4ccccc4c3C2)cc1F 245246045 GOJVNOUQXOSGCF-DEOSSOPVSA-N 353.417 3.701 30 50 FHEA O/C(=N/[C@@H]1CCCN(c2ccccc2)C1)c1coc(C2CCOCC2)n1 328774992 FBHBQNDYWGENQU-MRXNPFEDSA-N 355.438 3.542 30 50 FHEA C=CCN(Cc1ccccn1)C(=O)CCSc1ccc2c(c1)OCCO2 65408486 OAYFCKFYIXZSBR-UHFFFAOYSA-N 370.474 3.550 30 50 FHEA C[C@@H]1CCc2c(sc(NC(=O)c3cc(C(F)(F)F)nn3C)c2C#N)C1 2743675 YMQPCMIRSKAXQU-MRVPVSSYSA-N 368.384 3.749 30 50 FHEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 19790805 OCZZQEAKCBNXFM-HXUWFJFHSA-N 366.461 3.925 30 50 FHEA CCOc1cccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)c1O 19791139 WHMDWKFOCQGEIW-HZHRSRAPSA-N 367.493 3.559 30 50 FHEA Cc1ccc(/C(N)=N/OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 6797712 LAPHCWLBCDZGTO-NSHDSACASA-N 367.232 3.933 30 50 FHEA CCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003413 FOGIZFQNWDIMHB-UHFFFAOYSA-N 364.251 3.503 30 50 FHEA C=CCOc1c(Cl)cc(C(=O)N(C)Cc2cc(C)[nH]n2)cc1Cl 55371171 GZBCNNWSUAORLQ-UHFFFAOYSA-N 354.237 3.862 30 50 FHEA C[C@H](Oc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1)C(=O)O 215828857 JUTWYLUIILPASM-KRWDZBQOSA-N 364.445 3.596 30 50 FHEA CCOc1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1OC 5967593 VFCOORWQLBMFQY-RGVLZGJSSA-N 372.425 3.662 30 50 FHEA Cc1cc(F)ccc1C1CCN(/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)CC1 330273901 ZWSXBAIFICRIKD-QGZVFWFLSA-N 356.445 3.508 30 50 FHEA O=S(=O)(N/N=C/c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 2987178 NNFZRUFDWYZOIA-CAOOACKPSA-N 363.653 3.959 30 50 FHEA Cc1cc(C(=O)O/N=C(\N)Cc2cccc3ccccc23)ccc1[N+](=O)[O-] 4819076 RKFZZKDAGPWDJP-UHFFFAOYSA-N 363.373 3.728 30 50 FHEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2O)c1 2399264 UEVFSZKMHGFGNO-YBFXNURJSA-N 354.435 3.983 30 50 FHEA CC[C@H]1CCc2c(sc(NC(=O)CSc3ncccn3)c2C#N)C1 6489707 KPLUCSNYHYCLQG-NSHDSACASA-N 358.492 3.655 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 5715296 ZBUIKVBDLHONDV-CAOOACKPSA-N 352.253 3.550 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H]2c3ccccc3CC[C@H]2N2CCCC2)N=N1 2325886391 VFLIXMWTABSBBI-TZIWHRDSSA-N 364.493 3.610 30 50 FHEA Sc1nnc(-c2cccnc2)n1/N=C/c1cccc(Cl)c1Cl 1302961 ATCXQMACECSIOT-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA C/C(=N/N=C1\NC(=O)[C@@H](Cc2ccc(F)cc2)S1)c1ccc(C)cc1 5048935 UXIMQZQPEJIASD-VYZAVGSRSA-N 355.438 3.688 30 50 FHEA Cc1nnc(N2CCC[C@@H](COc3ccccc3Cl)C2)c(C#N)c1C 158215491 JIFAGWMADTZFEV-OAHLLOKOSA-N 356.857 3.914 30 50 FHEA CCOc1ccccc1N/C(=N/S(=O)(=O)c1ccccc1)C(F)(F)F 4758408 MNWWDMGNXQKWCR-UHFFFAOYSA-N 372.368 3.847 30 50 FHEA Cc1cc(N=C(O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)cnc1O 328608106 XZAGAWWXHCMTOH-DYESRHJHSA-N 351.450 3.986 30 50 FHEA Cn1cc([C@@H]2CCN(/C(O)=N/[C@@H]3CC=C(c4ccc(F)cc4)CC3)C2)cn1 329268873 GSWLCOAENOQRBH-YLJYHZDGSA-N 368.456 3.899 30 50 FHEA Cc1cc(O)c(C(=O)/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)o1 227173081 SVYBKGVKYJVONS-NYYLHBDNSA-N 353.330 3.571 30 50 FHEA Cn1cc[n+](CC(=O)c2ccc(-c3ccc(Br)cc3)cc2)c1 253470610 PCCZPGPTPZNJTD-UHFFFAOYSA-N 356.243 3.625 30 50 FHEA O=C1C(Cl)=C/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 1234493 LXVBTGUJNQBBFO-XDJHFCHBSA-N 366.225 3.837 30 50 FHEA O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@@H]1Cc1ccc(F)cc1 5214282 FZRYJXVHJVTGSH-IXJMWADBSA-N 361.829 3.643 30 50 FHEA N#C[C@@H]1CCCN(C(=O)c2cccc(-c3cnn(Cc4ccccc4)c3)c2)C1 426489928 PUYPKWNGTRFZRU-IBGZPJMESA-N 370.456 3.974 30 50 FHEA Sc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccccc2)o1 20617932 OCVMIIAIYKIPFF-YBFXNURJSA-N 366.402 3.881 30 50 FHEA N#Cc1ccccc1CN1CCC[C@@H](c2nccn2Cc2cscn2)C1 95386812 ILOWWZVAULOYDL-GOSISDBHSA-N 363.490 3.639 30 50 FHEA CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ncc(C#N)cc1Cl 331633261 ZQNXEQRDBQYTQE-MRXNPFEDSA-N 355.825 3.599 30 50 FHEA O=C(C[n+]1ccc(-c2ccccc2)nc1)c1ccc(Br)cc1 3121746 JSTJTAGALVFUDS-UHFFFAOYSA-N 354.227 3.682 30 50 FHEA CC(=O)Nc1cccc(-c2cc([C@@H]3CCOC(C)(C)C3)c(C#N)c(N)n2)c1 71753877 GNTKLMFMSWQYSV-OAHLLOKOSA-N 364.449 3.833 30 50 FHEA C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)c(Cl)c1 4185171 ONZUXVSQVIRFNF-CYBMUJFWSA-N 357.262 3.515 30 50 FHEA C=CCN(Cc1ccccc1C)C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc12 55041943 PJFYPOSLUPJVPQ-MRXNPFEDSA-N 361.445 3.550 30 50 FHEA Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1B1OC(C)(C)C(C)(C)O1 170006583 UBWZEUAEQZLWJU-UHFFFAOYSA-N 355.199 3.995 30 50 FHEA C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 4911488 XDGLSSKVLQYWOS-AWEZNQCLSA-N 369.417 3.596 30 50 FHEA C[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H](O)C=CC1=O 71769382 SRVMANVGDMJQHJ-QZTJIDSGSA-N 359.219 3.805 30 50 FHEA Cc1ccc(S(=O)(=O)OCC/C=C\CCCO[C@@H]2CCCCO2)cc1 43761493 HYUWKPPUUIRJQQ-GHMGLMHVSA-N 368.495 3.970 30 50 FHEA COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N)c2C#N)cc1 20389439 FCCXLQKVPZZXNH-UHFFFAOYSA-N 361.401 3.895 30 50 FHEA N#C[C@@H]1CCC[C@H]1N/C(O)=N/[C@H]1C[C@H](c2ccc(Br)cc2)C1 329795537 GOKFEBJNTWBEFH-DARAHFNDSA-N 362.271 3.891 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)N=N1 952880571 GRIZKNIQKZLGCV-IYBDPMFKSA-N 354.454 3.594 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)N=N1 952879751 HDEJURHIMLISFT-AZUAARDMSA-N 361.449 3.584 30 50 FHEA COc1cccc(C#N)c1OCc1cccc(I)c1 4827116 QZGJWTNVFMJIGQ-UHFFFAOYSA-N 365.170 3.750 30 50 FHEA CCn1nc(C)c(-c2cc(-c3cnc(C(C)C)nc3)c(C#N)c(N)n2)c1C 71753076 ULNCAZJPWYDQDO-UHFFFAOYSA-N 361.453 3.616 30 50 FHEA C[C@H](NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@]34O[C@H]4[C@@H]21)c1ccccc1 252695038 UARIRGJWHKWMHN-BYPXFRAPSA-N 369.505 3.863 30 50 FHEA biogenic CC[C@H](C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 9418917 PHXCWAHQAWXZGO-KRWDZBQOSA-N 374.448 3.592 30 50 FHEA CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 5445499 PUAJWFNNFSGBGQ-OAHLLOKOSA-N 372.218 3.657 30 50 FHEA C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/c1ccc(C(=O)O)cc1 61963751 ABIJCMVYPICPRH-UAFUQJIBSA-N 366.442 3.745 30 50 FHEA Cc1cc([C@H]2CCCN2C(=O)CC2=C(c3ccccc3)CCC2=O)on1 952968024 FAUSRRPYVHQJTR-GOSISDBHSA-N 350.418 3.853 30 50 FHEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2O)c1 2522392 ONTQTDRACWRJDS-VXLYETTFSA-N 370.434 3.688 30 50 FHEA C=CCc1c(C(=O)OC)ccc(Br)c1OCc1ccon1 225654818 NSFCJDJQSDXQHI-UHFFFAOYSA-N 352.184 3.531 30 50 FHEA COc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1N 841263257 AHXJAJWJUTVPAL-SJLPKXTDSA-N 350.422 3.581 30 50 FHEA CCOc1cc(/C=C2\N=C(SC)SC2=O)cc(Cl)c1OC(C)=O 2882617 SSDUOGKRNOHLFI-WDZFZDKYSA-N 371.867 3.997 30 50 FHEA CCN(Cc1ccc(C#CC(C)(C)O)cc1)Cc1c(C)nn(CC)c1C 55369955 HIRJFHGDJKNZNF-UHFFFAOYSA-N 353.510 3.664 30 50 FHEA C[C@@H](/N=C(/O)N1CCC(Cn2ccnn2)CC1)c1cc2cccc(F)c2o1 329922189 HWNSIDMHFYEIEG-CYBMUJFWSA-N 371.416 3.551 30 50 FHEA COc1ccc(-n2cc(-c3cc(-c4ccco4)c(C#N)c(N)n3)cn2)cc1 71756805 NQNBYIBZGDHEFG-UHFFFAOYSA-N 357.373 3.657 30 50 FHEA CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 244716203 LKNUMYQWQYTHSW-UHFFFAOYSA-N 358.829 3.794 30 50 FHEA Cc1ccc([C@@H](C)NC(=O)CO/N=C2/CCOc3ccccc32)cc1C 1875258565 HAYPSCDWIRLAPI-LTUQMTLXSA-N 352.434 3.684 30 50 FHEA COC(=O)c1ccc(N/N=C/c2c(F)ccc3sc(C(=O)O)cc23)cc1 1875337436 ZZLZMQZTGYHCFE-AWQFTUOYSA-N 372.377 3.971 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O 784850 JPXOTBSMZXCLLC-UHFFFAOYSA-N 365.458 3.622 30 50 FHEA C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 2093725 KUZOWHWOAJAJJV-UHFFFAOYSA-N 359.223 3.617 30 50 FHEA CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1 2883499 FWVUCXOMYOKENB-UHFFFAOYSA-N 363.446 3.567 30 50 FHEA CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 5044462 BLJDPUJFDYKKIT-CPNJWEJPSA-N 366.870 3.831 30 50 FHEA N/C(=N\OC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 5091378 KBFUBEUTUNKHDF-UHFFFAOYSA-N 353.603 3.580 30 50 FHEA C=CCCC(=O)N(Cc1ccncc1)Cc1cccc(O[C@H](C)COC)c1 11913274 OLBYKUNQIHKPJM-GOSISDBHSA-N 368.477 3.990 30 50 FHEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@@H]2CCc3ccc(OC)cc32)cn1 330349992 KOIICYSEQCNBQJ-YZGWKJHDSA-N 369.465 3.818 30 50 FHEA CN(/N=C/c1ccccc1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 252484651 GCTBPGFTCVKYIZ-DJKKODMXSA-N 368.271 3.992 30 50 FHEA CN(Cc1ccc2ncccc2c1)C(=O)c1cccc(C#CC(C)(C)O)c1 1506420451 HUDPWBPVLLMKEA-UHFFFAOYSA-N 358.441 3.629 30 50 FHEA N#CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 2840929 BFFUGAVLUDUEIJ-GOSISDBHSA-N 374.849 3.512 30 50 FHEA Cc1ccc(/C(N)=N/OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 6797709 LAPHCWLBCDZGTO-LLVKDONJSA-N 367.232 3.933 30 50 FHEA C=C(C)COc1cccc(C(=O)NCCc2nc(C)c3c(n2)CCCC3)c1 55060912 XSSYNGUMZWTLDY-UHFFFAOYSA-N 365.477 3.591 30 50 FHEA Cc1nc2ccc(N=C(O)N3CCC[C@H]3Cc3ccccc3Cl)cn2n1 329459978 RSLGVBGKSQSOKH-INIZCTEOSA-N 369.856 3.944 30 50 FHEA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CC#CC(=O)O 71770799 JAWMALXBSHNDSZ-IDNQLYMWSA-N 368.473 3.761 30 50 FHEA Cc1cccc2c1c(-c1ccc(C(=O)N3CCC[C@H](C#N)C3)cc1)nn2C 534578500 KZUGUFUNXWJOMI-MRXNPFEDSA-N 358.445 3.925 30 50 FHEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccn2)C1=O 4688346 FHKIPENKAQDOJU-QINSGFPZSA-N 352.415 3.625 30 50 FHEA C[C@@H](Nc1c(C#N)cnc2cnccc12)[C@@H](O)c1c(F)cccc1Cl 2325855109 IKILOWAOAGIDHT-MLCYQJTMSA-N 356.788 3.828 30 50 FHEA O[C@@H](c1ccccc1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 2592853 DCYBJXGGLMLHFT-CPCISQLKSA-N 354.168 3.915 30 50 FHEA Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 252463479 XMQIYVCNLMJDDP-BQJWPVKWSA-N 357.523 3.992 30 50 FHEA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2ccccc2C#N)C1 71747461 QQEWSONKYYCMSM-QGZVFWFLSA-N 352.409 3.801 30 50 FHEA CC(C)(C)OC(=O)Nc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 242522167 IJXATTIEEWHUBH-UHFFFAOYSA-N 353.655 3.986 30 50 FHEA COc1cc(/C=N/Nc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OC 5061340 HKBWTGJNNMBZQA-YBFXNURJSA-N 352.350 3.606 30 50 FHEA CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1 752974 NGBDDKGHTCIPAP-UHFFFAOYSA-N 371.487 3.598 30 50 FHEA CC(=O)Nc1ccc(-n2ccnc2-c2ccc(C#CC(C)(C)O)cc2)cc1 82106095 QAVHARKFOQYODW-UHFFFAOYSA-N 359.429 3.620 30 50 FHEA C=CCc1cc(CN2CCCC3(CCNCC3)C2)cc(OC)c1OCC 820505654 OWZSCTJLOVASTN-UHFFFAOYSA-N 358.526 3.788 30 50 FHEA CC(C)(C)OC(=O)N1[C@@H](/C=C/B2OC(C)(C)C(C)(C)O2)COC1(C)C 217020394 QWUIYWRASADTFL-NHAQELONSA-N 353.268 3.546 30 50 FHEA CC1(C)OB(c2ccc(NC(=O)OCc3ccccc3)cc2F)OC1(C)C 169902911 XPCYDSDRORRCFT-UHFFFAOYSA-N 371.217 3.874 30 50 FHEA in-vitro Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(F)cc1 1205542 KERITZLCZBNZKW-FSJBWODESA-N 361.376 3.863 30 50 FHEA COc1ccc(C(C2=C(O)CCCC2=O)C2=C(O)CCCC2=O)c(OC)c1 1227212 KDPDGWKPFAYHLA-UHFFFAOYSA-N 372.417 3.918 30 50 FHEA C#CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC 2123438 VXWVGJDMPUZWOH-UHFFFAOYSA-N 352.773 3.823 30 50 FHEA CC(C)Cc1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1 6563892 PUXPXVAEVNEJRL-FYJGNVAPSA-N 355.463 3.679 30 50 FHEA Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1O 253429207 SIDMOJTZOQXLSN-UHFFFAOYSA-N 357.218 3.680 30 50 FHEA Cc1ccc(-c2cc(-c3cccc(CN4CCOCC4)c3)c(C#N)c(N)n2)o1 67817941 BJZSCNYXLADHQA-UHFFFAOYSA-N 374.444 3.603 30 50 FHEA C=CCn1cc(CN(Cc2cccnc2)Cc2ccccc2OC)c(C)n1 55254440 GQSNOYXTHRLNQB-UHFFFAOYSA-N 362.477 3.984 30 50 FHEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccncc2)C1=O 4116382 RVOQQAQONXMWLP-NTCAYCPXSA-N 352.415 3.625 30 50 FHEA N#Cc1ccc(CN2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)cc1 2356151441 IOIOJEFVFRFKOK-XMMPIXPASA-N 373.500 3.758 30 50 FHEA c1ccc([C@@H]2O[C@@]23CCC[C@]2(O[C@H]2c2ccccc2)C32OCCO2)cc1 43214722 PWNONDAOOROMHQ-XSDIEEQYSA-N 350.414 3.934 30 50 FHEA O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4914120 AFZFNIMBAMPYFQ-TZMCWYRMSA-N 368.414 3.661 30 50 FHEA O=C1C[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914677 BTAMLTLRATZKSX-PBHICJAKSA-N 353.368 3.969 30 50 FHEA Fc1ccc(NC(=S)N/N=C/c2cccc(Br)c2)cc1 2506376 UDAHFUOFZIPTIW-RQZCQDPDSA-N 352.232 3.909 30 50 FHEA Cc1nnccc1N=C(O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 329259349 CPYYFAMQMGSLLR-CARYKQCGSA-N 368.481 3.580 30 50 FHEA C[C@H]1CN(Cc2csc(N=C(O)[C@H]3Cc4ccccc43)n2)C[C@@H](C)O1 329446858 CRBOCHLSBWPPMU-AHIWAGSCSA-N 357.479 3.680 30 50 FHEA Clc1ccc(=N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)[nH]n1 408526022 KTUCSWVZHDWDKR-SZHLLGMXSA-N 350.809 3.892 30 50 FHEA CC(C)c1noc([C@@H](Nc2snc(Cl)c2C#N)C2CCOCC2)n1 275288260 GMIAPVHRXNJSIF-NSHDSACASA-N 367.862 3.754 30 50 FHEA Cc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Br)cc2)cc1 17016271 URSBXXLCWDXPIO-HNNXBMFYSA-N 372.218 3.623 30 50 FHEA CC(C)(C)OC(=O)N1CC[C@]2(C1)[C@H](B1OC(C)(C)C(C)(C)O1)C2(F)F 1857784330 JDMHCSQIBXORBW-ZBEGNZNMSA-N 359.222 3.725 30 50 FHEA N#C[C@@H]1N(C(=O)c2[nH]c3ccccc3c2Cl)CCC[C@@]12CCCCO2 329845778 LYTZUDPTBCTCSY-KXBFYZLASA-N 357.841 3.889 30 50 FHEA CC(C)(O)C#Cc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1 826688470 FZXDTNHOZAOROP-UHFFFAOYSA-N 358.485 3.866 30 50 FHEA COc1ccc(-c2csc(NC(=O)c3cc(C)on3)c2C#N)cc1OC 1053500 AHJWIRBGLQWHQS-UHFFFAOYSA-N 369.402 3.853 30 50 FHEA C=C(C)COc1cccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 6764380 APZDMIGQRDUZHH-UHFFFAOYSA-N 363.417 3.964 30 50 FHEA CCOc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1O 244594039 DFLGMQSIIWEGOA-UHFFFAOYSA-N 373.884 3.596 30 50 FHEA C=CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C1=S 1129412 NKEVTGXYYSJFOQ-AZUAARDMSA-N 373.481 3.797 30 50 FHEA biogenic O/C(=N/[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 328849717 YWWRFWQKPIFMHY-BVJIBDCISA-N 366.436 3.576 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C2\C[C@]34CCCC[C@@]35C[C@H]2O[C@H]5C4)c([N+](=O)[O-])c1 216367730 HNFGDJSRIPJISB-KYNZMEAJSA-N 372.381 3.783 30 50 FHEA C=CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 85221261 CPJQXKHZCVDRSX-LJQANCHMSA-N 351.402 3.945 30 50 FHEA Cc1c(N=Cc2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C 254513734 IGBVZLSWRKDHPA-UHFFFAOYSA-N 370.250 3.998 30 50 FHEA O/C(=N/[C@H]1CCO[C@@H]1c1cncc(Br)c1)[C@@H]1C[C@@H]1C1CC1 329173963 LARWKVBCLREFII-APIJFGDWSA-N 351.244 3.677 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 19772323 RTBXOPCSZVYUGQ-INIZCTEOSA-N 365.351 3.846 30 50 FHEA N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2 102246441 BUFIZIKZFCQXPW-QMMBQJITSA-N 358.463 3.574 30 50 FHEA CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4794038 YVWBACPZDDNQBJ-OAOSXQHLSA-N 360.370 3.542 30 50 FHEA C=CCCC(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67758809 ZRMGMCATEJIONP-UHFFFAOYSA-N 358.825 3.795 30 50 FHEA O=[N+]([O-])c1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1 32609437 RKIPDJPEXQBYAT-UKWGHVSLSA-N 353.407 3.924 30 50 FHEA CN(C)Cc1ccc(C/N=C(/O)[C@@H]2C[C@]23CCOc2ccccc23)cc1 328602310 BAPBJBKMYKVBFM-UGKGYDQZSA-N 350.462 3.945 30 50 FHEA N/C(=N\OC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccnc1 4845576 IQUAJUZDTAYLIC-UHFFFAOYSA-N 368.396 3.774 30 50 FHEA Cc1cccc(NC(=O)c2cccc(CN(C)C[C@H]3CCCO3)c2)c1C#N 67754659 JFZHRNKVHXNEBL-LJQANCHMSA-N 363.461 3.730 30 50 FHEA COc1cc(-c2cc([C@@H]3CCOC(C)(C)C3)c(C#N)c(N)n2)ccc1O 67834340 OAOMVNDZUKSYQR-CYBMUJFWSA-N 353.422 3.589 30 50 FHEA Cc1ccc(S(=O)(=O)N/N=C(\Cc2ccccc2)c2ccccc2)cc1 33583177 INMYHVHTZKDKDK-QURGRASLSA-N 364.470 3.920 30 50 FHEA N#Cc1ccccc1-c1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2)o1 71774441 ZNSUURYENVQYFJ-XJKSGUPXSA-N 367.412 3.683 30 50 FHEA N#Cc1cccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccc3)C2)c1 82087238 WSRFLMRIQIOYEX-NRFANRHFSA-N 370.456 3.823 30 50 FHEA COc1ccc(C(=O)O/N=C2/c3ccccc3-c3ncccc32)cc1OC 1156262 HXZNYXMTXCOZAI-ATJXCDBQSA-N 360.369 3.689 30 50 FHEA C=CCN(Cc1cccc(OC)c1)C(=O)CCn1c(C)nc2ccccc21 55310725 ZTXOACWLMABOPZ-UHFFFAOYSA-N 363.461 3.958 30 50 FHEA C[C@H](C1CC1)n1cc(N=C(O)NC2(c3ccc(F)cc3)CCOCC2)cn1 330201037 XEYBRULHGRUKGR-CQSZACIVSA-N 372.444 3.834 30 50 FHEA Cc1ccccc1C[C@H]1S/C(=N\N=C\c2ccccc2Cl)NC1=O 5648410 QWABAKKYTBHWBH-MBTVCVBTSA-N 357.866 3.813 30 50 FHEA Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/O)c1 15988021 KJVZQBPFMPUQEW-GIJQJNRQSA-N 363.211 3.583 30 50 FHEA Cc1cc(C)c(C#N)c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 4179190 ASSAUUCKKLAODR-UHFFFAOYSA-N 355.507 3.747 30 50 FHEA CCc1ccc2nc(N=C3NCN(C4CCCCCC4)CN3)nc(C)c2c1 19320830 DMHRKBRUWFMIOX-UHFFFAOYSA-N 366.513 3.621 30 50 FHEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccs1 720036 UIUNWMXQKVVVBW-PBQZTSCYSA-N 368.458 3.979 30 50 FHEA C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 751900 YCLCPWIVRFYYCX-UHFFFAOYSA-N 350.509 3.997 30 50 FHEA Brc1cccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c1 4676329 MZNQGXHEIREPDH-GIJQJNRQSA-N 367.210 3.715 30 50 FHEA C=CCOc1cccc(CN(C)C(=O)c2cccc(NC(=O)CC)c2)c1 55252982 PVTFCVPCOXAALD-UHFFFAOYSA-N 352.434 3.872 30 50 FHEA CCc1sc(-c2nnc(SCC#N)n2CC)cc1Br 2788944 HLFFOCNEPZZOLM-UHFFFAOYSA-N 357.302 3.967 30 50 FHEA COc1cccc([C@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 244718871 LSOKBGSNESTGKC-OAQYLSRUSA-N 363.457 3.795 30 50 FHEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/Cc1nc(C)c(C)s1 328603353 FVGDDQVMHNQWDH-DNVCBOLYSA-N 358.463 3.965 30 50 FHEA C=CCc1cc(C(=O)N(C)Cc2ccc3nsnc3c2)ccc1OC 1506408260 WMHBUIPLOGPMBQ-UHFFFAOYSA-N 353.447 3.701 30 50 FHEA Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccccc1O 1221243 RSNYUFOOCXWCHS-OEAKJJBVSA-N 355.397 3.960 30 50 FHEA Cc1ccc(CN2CCN(N=Cc3ccc(N(C)C)cc3)CC2)c(C)c1 15745860 ZTVGLYQXLJPIDF-UHFFFAOYSA-N 350.510 3.521 30 50 FHEA N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1Cl 252517385 HKAQTRGGWQWXFU-BFYDXBDKSA-N 355.781 3.599 30 50 FHEA C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC 217671505 GDKLOAODGZFEAV-AWEZNQCLSA-N 368.385 3.820 30 50 FHEA biogenic Cc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1ccccn1 175266312 HSXGSPHTVHRURV-UHFFFAOYSA-N 371.322 3.719 30 50 FHEA O=C(O)c1ccc(C#Cc2ccc(C#Cc3ccc(C(=O)O)cc3)cc2)cc1 96024941 PBSHZURLUZZSFJ-UHFFFAOYSA-N 366.372 3.883 30 50 FHEA C=C(C)CC[C@@H](C)N1CCC(Oc2cccc(C(=O)NCCOC)c2)CC1 12457798 YIRQMAVXRGDWSC-GOSISDBHSA-N 374.525 3.651 30 50 FHEA N#Cc1c(F)cc(CNC(=O)CCc2cccc3cnccc23)cc1F 2325867503 YCAWTNXDZUHIFM-UHFFFAOYSA-N 351.356 3.634 30 50 FHEA COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc(OC)c1O 3904870 HQNCECFVELIWLJ-FQEVSTJZSA-N 366.417 3.995 30 50 FHEA C/C(=N/OCO/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 4738305 TYOXZLKKJOJGNY-MGYAYREDSA-N 372.337 3.642 30 50 FHEA O=[N+]([O-])c1ccccc1/C=N/Nc1ccc2nn(-c3ccccc3)nc2c1 4953532 OKLKHGJRTYDGQQ-DEDYPNTBSA-N 358.361 3.775 30 50 FHEA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 19315040 SOUNQKFVLZJKJG-LJQANCHMSA-N 355.434 3.615 30 50 FHEA N#Cc1nc(C2CC2)oc1N1CCC(c2nc(-c3ccccc3)no2)CC1 1857800438 CIPZLOCDSVEZFB-UHFFFAOYSA-N 361.405 3.858 30 50 FHEA CCN1C(=O)/C(=C\c2ccc(COc3ccc(C#N)cc3)o2)SC1=S 4652250 BXRIOASLIJWFHD-CXUHLZMHSA-N 370.455 3.951 30 50 FHEA N#Cc1c(-c2c[nH]nc2-c2ccc(F)cc2)cc(-c2cccnc2)nc1N 67879880 JOVWGKHZRNYHMQ-UHFFFAOYSA-N 356.364 3.794 30 50 FHEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1 17075365 MONBCPSRXDYPCK-ZGXHQARYSA-N 366.870 3.872 30 50 FHEA O=C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 100401529 MUIVZQOWWTWYIR-XMHGGMMESA-N 365.614 3.952 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccco1 170615238 QDCJHQLVMWQXPC-YLJYHZDGSA-N 370.401 3.616 30 50 FHEA Cc1ccccc1/C(N)=N/OC(=O)COc1ccc(Cl)cc1Cl 5041980 IHRPNISJXDZJIK-UHFFFAOYSA-N 353.205 3.544 30 50 FHEA N#Cc1ccc(-c2cccc(CNC(=O)C#CC3CCC(=O)CC3)c2)s1 2325771262 RGMYDZWJHSLEND-UHFFFAOYSA-N 362.454 3.666 30 50 FHEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc(F)c1 6719454 VHUDCTFWAIVCJQ-UHFFFAOYSA-N 367.380 3.713 30 50 FHEA CCCCCCCC(=O)OCCN(CC)S(=O)(=O)c1ccccc1 101356717 HBOQUUVMUDFHDO-UHFFFAOYSA-N 355.500 3.601 30 50 FHEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N(C)CCCC)C2 14543201 FPSHIHNQQGRZKH-SFHVURJKSA-N 372.557 3.675 30 50 FHEA C=CCn1cc([C@@H]2c3nc[nH]c3CCN2Cc2ccc(C)c(F)c2C)cn1 72409756 RVIJNZBHMUXYDJ-OAQYLSRUSA-N 365.456 3.696 30 50 FHEA C=CCOc1ccc(CN2CCN(CC(F)(F)F)CC2)cc1CC=C 1506421998 YKECISZTBLVRSZ-UHFFFAOYSA-N 354.416 3.660 30 50 FHEA N#CCc1ccc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c(Cl)c1 411023360 ZLJXPFJWBZZJNM-YIYPIFLZSA-N 358.747 3.700 30 50 FHEA COc1ccc(C[C@H](C)C/N=C(/O)N2CCOC[C@@H](C3CCC3)C2)cc1 330220288 QCEKMOVQEZLXMJ-LPHOPBHVSA-N 360.498 3.536 30 50 FHEA C[C@@H](c1cccnc1)N1CCN(c2cccc(-n3cccc3)c2C#N)CC1 2325867660 BLGZYFBWZBUKQC-SFHVURJKSA-N 357.461 3.627 30 50 FHEA CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 823532 YOBNLLNNINWVDH-LJQANCHMSA-N 369.461 3.862 30 50 FHEA OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)s1 65387127 YCUGFGSWZFBQCE-UHFFFAOYSA-N 374.469 3.588 30 50 FHEA COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 4914478 CNGDWXXYKYMNOX-RHSMWYFYSA-N 365.404 3.839 30 50 FHEA C[C@@H](C1CC1)n1cc(N=C(O)NC2(c3ccc(F)cc3)CCOCC2)cn1 330201036 XEYBRULHGRUKGR-AWEZNQCLSA-N 372.444 3.834 30 50 FHEA N#Cc1c(-c2cccc(OCCO)c2)cc(-c2cc(F)cc(F)c2)nc1N 71748994 ZLMCRDHUSHQMCA-UHFFFAOYSA-N 367.355 3.519 30 50 FHEA C=CCN1C(=O)/C(=C\c2cc(Br)ccc2F)SC1=S 12343658 STHAXCHNLGQEFL-YRNVUSSQSA-N 358.257 3.975 30 50 FHEA C=CCc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)ccc1OC 952961377 PRHJIFWKQDNMKZ-UHFFFAOYSA-N 352.434 3.686 30 50 FHEA C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1cccs1 12343840 POVNOQUCOMZKBQ-DHXXWJELSA-N 373.478 3.950 30 50 FHEA C#CCCC1(CCC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)N=N1 2325886034 ARNMOHZPQVYVEX-FQEVSTJZSA-N 361.445 3.859 30 50 FHEA COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)c1 625727 QNEUPCNQCCWOOI-IBGZPJMESA-N 355.434 3.615 30 50 FHEA C=CCN1C(=O)[C@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 783759 ZFBPMQWDZPJJKO-QHCPKHFHSA-N 357.409 3.833 30 50 FHEA CN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2 275772078 RILYWNBWADKCIE-SFHVURJKSA-N 352.507 3.501 30 50 FHEA COc1ccc(/C(C)=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 4188163 TVFQJRYLNWXVQW-XKZIYDEJSA-N 368.824 3.731 30 50 FHEA Cn1ncc(-c2ccccc2)c1NC(=O)Cn1ccc2cc(C#N)ccc21 19789254 VBSKYHDCIXDGQW-UHFFFAOYSA-N 355.401 3.552 30 50 FHEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1)c1ccccc1 5448742 JGADWTNQABWULG-LJQANCHMSA-N 356.381 3.865 30 50 FHEA N#Cc1ccn2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)c2c1 2325780175 MHYMPEBROOUGMP-REPLKXPHSA-N 356.429 3.757 30 50 FHEA COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1Cn1cc(Cl)cn1 6921427 LFALUYIWPIYCIX-GQCTYLIASA-N 370.840 3.531 30 50 FHEA COC(C)(C)CCC[C@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1 248291453 UBZDIWVELVGWPC-UNMCSNQZSA-N 358.526 3.958 30 50 FHEA biogenic CCCN/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 12378295 ILFCSJPAMDOUKH-UHFFFAOYSA-N 350.871 3.784 30 50 FHEA C[C@@H](NC(=O)[C@]1(C#N)CC12CCOCC2)c1ccc(-c2ccncc2)cc1 1875276012 CAOHKPXWEYDFBE-OPAMFIHVSA-N 361.445 3.636 30 50 FHEA N#Cc1cc2c([nH]c1=O)C[C@H](c1ccccc1)C/C2=N\Nc1ccccc1 4946093 GONOHECGOFQDGW-RBYZGFTMSA-N 354.413 3.793 30 50 FHEA C=CCOc1ccc(C(=O)N[C@@H](C)c2cn3ccsc3n2)cc1OCC 55308791 NDMHZWYASCKPBC-ZDUSSCGKSA-N 371.462 3.850 30 50 FHEA Cn1c(/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)cc2cc(C(F)(F)F)ccc21 329830692 FEJOZWHMZLWOIK-CYBMUJFWSA-N 362.355 3.782 30 50 FHEA Cc1nn(CCCNC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)c(C)c1C 426410757 VGWOBIPCOCUDBJ-UHFFFAOYSA-N 373.460 3.562 30 50 FHEA CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 180373444 JDVPLHULZHCSKU-QGZVFWFLSA-N 353.510 3.872 30 50 FHEA CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccncc2)C(=O)C1 100131713 ZTFXSAITONWPBY-GOSISDBHSA-N 369.461 3.941 30 50 FHEA Cc1ccc(S(=O)(=O)OCP(=O)(OC(C)C)OC(C)C)cc1 21948534 ZAAQMNVHSKISRP-UHFFFAOYSA-N 350.373 3.701 30 50 FHEA N#Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1390026 MBCIUTYEVVSPLQ-UHFFFAOYSA-N 359.351 3.539 30 50 FHEA CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1C(F)(F)F 4488715 NWIAKHUUFNBWDD-HNNXBMFYSA-N 362.355 3.955 30 50 FHEA CO[C@@H]1CN(C(O)=Nc2cc(Cc3ccccn3)ccc2C)CC[C@H]1C 328700384 MQXXMZZFLKPJKF-OXQOHEQNSA-N 353.466 3.883 30 50 FHEA CCn1ccnc1[C@H]1CCCCN1C(O)=Nc1cnc2c(c1)CCCC2 330286120 AGFKBMFTBQDCPB-GOSISDBHSA-N 353.470 3.950 30 50 FHEA C#CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 1154918 VSSDKWMQIRMRAY-MHWRWJLKSA-N 367.382 3.623 30 50 FHEA C=CCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3)cnc21 4840373 RPINHDRSLXQXEW-UHFFFAOYSA-N 367.412 3.529 30 50 FHEA C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N 329870423 BQAHQSCBDZDHNW-BSIFCXSSSA-N 358.457 3.848 30 50 FHEA Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 5016661 FXUDGULFXMCRBG-VAWYXSNFSA-N 360.373 3.939 30 50 FHEA COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccccc2Cl)S1 5047601 ZUGBDQPBYHKPBD-YODDIOPGSA-N 373.865 3.513 30 50 FHEA Cc1cc([C@@H](C(=O)O)N2CCC(C#N)(c3ccccc3)CC2)ccc1F 55308087 MVDREYSNHXRPSZ-IBGZPJMESA-N 352.409 3.817 30 50 FHEA C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O 3938750 PBKZPPIHUVSDNM-WNHSNXHDSA-N 358.478 3.890 30 50 FHEA biogenic,world C=CCC1=C[C@@](OC)(/C(C)=C/c2ccc3c(c2)OCO3)C(OC)=CC1=O 17917268 AOZTYYBGNNXAOI-ZGQNHIEXSA-N 354.402 3.819 30 50 FHEA biogenic,in-vitro CC[S@](=O)[C@@H]1CCC[C@@H](/N=C(/O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 328611127 OFQONKKBMVUOLK-SKASMJOVSA-N 368.930 3.779 30 50 FHEA CCOc1cc(C#N)c(NC(=O)CCc2ccc(OC)cc2)cc1OCC 1076816 RIDMQAWKPGPJFW-UHFFFAOYSA-N 368.433 3.936 30 50 FHEA CC[C@H](CC(C)C)C(=O)NCC1CCN(Cc2ccc(C#N)cc2)CC1 2325867454 WNNMYABDLKMFNN-OAQYLSRUSA-N 355.526 3.959 30 50 FHEA Cc1ccccc1OCc1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1 934559 OMUDXTLCZRBFDO-UHFFFAOYSA-N 374.444 3.760 30 50 FHEA Cc1cn(CC(O)=Nc2cccc(N=C(O)NN(C)C)c2)c2ccccc12 328591276 BUTLNCBLGWOCJA-UHFFFAOYSA-N 365.437 3.850 30 50 FHEA C=C[C@@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 72481820 UHCUTSMBIWACHX-NRFANRHFSA-N 351.402 3.945 30 50 FHEA CCOc1ccc(NC(=O)NCc2csc(CSC)n2)cc1C#N 299789351 XVAKZJQXRHDTFY-UHFFFAOYSA-N 362.480 3.598 30 50 FHEA O=[N+]([O-])c1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1 19773238 JOWUCWUHEYEXPG-XQNSMLJCSA-N 374.444 3.900 30 50 FHEA C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(C)cc1 19898689 OGRWNCJFOCTHSO-UHFFFAOYSA-N 367.445 3.688 30 50 FHEA CN(Cc1ccccc1)C(=O)c1c([N+](=O)[O-])cc(N=[N+]=[N-])cc1[N+](=O)[O-] 15218816 SBWNFOVKQHCIQO-UHFFFAOYSA-N 356.298 3.717 30 50 FHEA Cc1c(N/C=C\C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 100271303 AISPMHJXHOHCDJ-SEYXRHQNSA-N 367.836 3.946 30 50 FHEA C=CCc1ccc(OCCN2CCN(Cc3ccccc3)CC2)c(OC)c1 20482398 SSNILAIRJJCZKF-UHFFFAOYSA-N 366.505 3.620 30 50 FHEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)C1C2CC3CC(C2)CC1C3 329784093 VSAGZXXLUZSZKU-NICINKIESA-N 357.498 3.896 30 50 FHEA CC(C)(O)C#Cc1ccc(CN2CCC(c3cccc(O)c3)CC2)s1 828925417 SSBMQLLZZDWWHA-UHFFFAOYSA-N 355.503 3.956 30 50 FHEA Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(F)cc1 15723447 CADOOAURUAPDMR-UFFVCSGVSA-N 353.357 3.982 30 50 FHEA C#CCN1C(=O)S/C(=C\c2ccc(OCC(C)C)c(OCC)c2)C1=O 15011134 SLBWPSVSNBTHRA-BOPFTXTBSA-N 359.447 3.790 30 50 FHEA COc1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)c(OC)c1 5432843 QKVJRDIQXOIEMD-VXLYETTFSA-N 358.398 3.646 30 50 FHEA Cc1ccc(C/N=C(/O)N2CCC[C@@H](CC(C)C)C2)cc1S(C)(=O)=O 331300044 UPHJFUSVGJURJY-KRWDZBQOSA-N 366.527 3.571 30 50 FHEA N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1nccs1 2316359 XMSOIEBVVIVNMZ-UHFFFAOYSA-N 358.473 3.869 30 50 FHEA CCN(CC)CCCNc1c2c(c(C#N)c3nc4ccccc4n13)CCC2 4136181 VQQIYRDBVXWEHH-UHFFFAOYSA-N 361.493 3.992 30 50 FHEA N#CCCn1cc(C(=O)Nc2nccs2)c(-c2cc3ccccc3o2)n1 4516860 NWDFSVAHOPDKOC-UHFFFAOYSA-N 363.402 3.919 30 50 FHEA CCn1cc(-c2cc(-c3cnc(OC)nc3)c(C#N)c(N)n2)c2ccccc21 71440023 ZINKICXYAFPNCN-UHFFFAOYSA-N 370.416 3.643 30 50 FHEA CC#CCn1ccc(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)n1 19798606 SKMMISIHXHLVPG-UHFFFAOYSA-N 350.443 3.644 30 50 FHEA Cc1oc(-c2cnn(C)c2)nc1/C(O)=N/[C@]1(C)CCCc2ccccc21 329636593 YFPWJRTZLJZADT-HXUWFJFHSA-N 350.422 3.940 30 50 FHEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 253501772 QXTWZEGENLVVRE-PCEJQYDGSA-N 368.473 3.961 30 50 FHEA C[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C#N)C1 4194624 OCWHYPVAFUTQRI-NSHDSACASA-N 354.431 3.768 30 50 FHEA COc1cc(C#N)ccc1OCc1ccccc1I 4828463 HJJNWBZEKURDJS-UHFFFAOYSA-N 365.170 3.750 30 50 FHEA C/C(=N\OCC(=O)N1c2ccccc2CC[C@@H]1C)c1sc(C)nc1C 222085783 FTOYICDYBGKWCM-GPIITSRYSA-N 357.479 3.868 30 50 FHEA C/C(=C\c1ccccc1)[C@@H]1O[C@@]23CCCC[C@@H]2[C@@]2(C#N)C(=N)N=C(O3)[C@@]12C#N 227289697 MDLMOOWAUVBLOW-WRWCDVKBSA-N 372.428 3.815 30 50 FHEA C=CCc1cc(CN2Cc3ccccc3[C@H](O)C2)cc(OC)c1OCC 820505600 GFWFHVRNLBPDKK-HXUWFJFHSA-N 353.462 3.872 30 50 FHEA COC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)C1=O 19792705 SZYKGDPQCXECFF-WQRHYEAKSA-N 364.445 3.671 30 50 FHEA N#Cc1ccc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1F 225536730 TWSIGULIBTWMCW-ZDUSSCGKSA-N 352.335 3.819 30 50 FHEA N#Cc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c(F)c1 5451587 ZPGTWSVGVLPNQG-UHFFFAOYSA-N 372.359 3.831 30 50 FHEA C=CCCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 11767586 BWSAJMIPUSODEU-SFHVURJKSA-N 353.466 3.977 30 50 FHEA Cc1ccc([C@@H]2CN(C(=O)c3cccc(C#N)c3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72164710 ROHGSJHUVVZBTL-YTFSRNRJSA-N 371.484 3.569 30 50 FHEA C=C(C)COc1ccccc1NC(=O)N1CCC(Oc2ncccn2)CC1 96162756 HGZAQKJDHKHARY-UHFFFAOYSA-N 368.437 3.507 30 50 FHEA Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(-c3cccnc3C#N)c2)n1 299761330 JHJKXMKJIWWYSO-IBGZPJMESA-N 373.416 3.679 30 50 FHEA Cc1cc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)c(C#N)c(C)n1 328623958 CEYRQICKFNNMRI-SFHVURJKSA-N 367.522 3.518 30 50 FHEA N#Cc1ccc(Oc2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101625348 SXMURYUIKQGWGU-IQGAEYHTSA-N 356.381 3.662 30 50 FHEA Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(-c4ccc(C#N)nc4)cc3)C2)n1 534590030 UZJIAYHEYYJZSR-OAQYLSRUSA-N 371.444 3.521 30 50 FHEA C=C(C)CN(CC)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12476584 OEHLVBCUFDJUFV-UHFFFAOYSA-N 370.493 3.505 30 50 FHEA CC#CCn1ccc(-c2cccc(-c3ncccc3C(=O)N3CCCC3)c2)n1 19143792 MNVJJDOAUIHOHD-UHFFFAOYSA-N 370.456 3.871 30 50 FHEA N#Cc1cc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccc1F 225537076 VPHQWDDJRXMPHU-GFCCVEGCSA-N 352.335 3.819 30 50 FHEA CC(C)Oc1ccccc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N 5318709 XVDXSPFNBJAEJE-UHFFFAOYSA-N 371.400 3.794 30 50 FHEA Cc1cnccc1-n1nc(C2CC2)nc1-c1ccc(C#CC(C)(C)O)cc1 65505587 YXLRZWWRCJENKM-UHFFFAOYSA-N 358.445 3.638 30 50 FHEA CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\N(C)C)C1=O 1202019 AIYQPVZOYMKTJC-VBKFSLOCSA-N 368.458 3.745 30 50 FHEA N#Cc1c(SCC(N)=O)nsc1SCc1ccc(Cl)cc1 2190325 RFDZPPVMTUCUSZ-UHFFFAOYSA-N 355.897 3.538 30 50 FHEA Cc1c(C#N)c2ccccc2n1CC(=O)NCCc1c[nH]c2ccccc12 807905 ZOFMPDOCLYEBKB-UHFFFAOYSA-N 356.429 3.662 30 50 FHEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1cccs1 85376193 BUXMIEDECHMCOE-LBPRGKRZSA-N 359.476 3.695 30 50 FHEA N#CC1CCN(Cc2cc(-c3cccs3)ccc2OCC(=O)O)CC1 97766502 ZDPILMCHEHJVRR-UHFFFAOYSA-N 356.447 3.614 30 50 FHEA COc1cc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc(OC)c1O 2222775 OVNRJZBRKNJVKV-VXLYETTFSA-N 370.434 3.521 30 50 FHEA CC1CCN([C@@H](C/N=C(/O)c2coc(C3CCOCC3)n2)C(C)C)CC1 328776373 FNJWBRZDQGHYNI-SFHVURJKSA-N 363.502 3.630 30 50 FHEA O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1cccc(C(F)(F)F)c1 2113234 BGXGLXLBOAJQDI-UHFFFAOYSA-N 369.183 3.890 30 50 FHEA CCCCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nnnn21 4368784 JAOQBFOIRJGEJM-GOSISDBHSA-N 367.453 3.510 30 50 FHEA O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(Cl)cn2)c1 4482644 XAGRRARUCLZDBU-PJQLUOCWSA-N 356.563 3.862 30 50 FHEA C=CCOc1ccc(C(=O)NCCCc2ccccc2O)cc1OCC 55100440 FHTJXLZERMGVMP-UHFFFAOYSA-N 355.434 3.718 30 50 FHEA N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Cc1ccccc1 227155623 HRSIAPAQDPHOGM-UHFFFAOYSA-N 358.806 3.841 30 50 FHEA CC(C)n1cc(COC(=O)c2ccccc2Oc2ccccc2C#N)nn1 1875355616 AUVQNWHIQVTUOD-UHFFFAOYSA-N 362.389 3.880 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](C)c2cnn(-c3ccc(C#N)cc3)c2C)N=N1 1875381751 GQDQUTIVFPHCCM-OAHLLOKOSA-N 374.448 3.585 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(C)c1 4529924 MRRJGUWLVUNQAR-IBGZPJMESA-N 369.461 3.781 30 50 FHEA COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257359332 ZRBBCVQLZFVRCK-YOSHLFPMSA-N 354.446 3.573 30 50 FHEA COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3C(=O)C[C@]12C 257359330 ZRBBCVQLZFVRCK-KEQLJVHDSA-N 354.446 3.573 30 50 FHEA CN(C)Cc1cccc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)c1 299759629 MHGLNKVPROATPB-UHFFFAOYSA-N 362.473 3.571 30 50 FHEA C#CCCC1(CCC(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)N=N1 952883179 XHVUZZGDBZCWOK-MRXNPFEDSA-N 372.900 3.901 30 50 FHEA C=CCn1nc(-c2cccc(OCC)c2)nc1Cc1cnn(C(C)C)c1 1875349130 NRRVOQCMHIOTFB-UHFFFAOYSA-N 351.454 3.898 30 50 FHEA C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC=C(c2ccc(F)cc2)CC1 192997498 ZCWHJKARSZHFDG-INIZCTEOSA-N 355.457 3.646 30 50 FHEA C=C(Cl)COc1nc2cc(F)ccc2cc1CNCCCn1ccnc1 11911784 LVIBJOJLHRUICA-UHFFFAOYSA-N 374.847 3.882 30 50 FHEA C=CCc1cccc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc12 851114 UTQRUSFVTZGCMV-UHFFFAOYSA-N 362.385 3.732 30 50 FHEA CC1(C)OB(c2ccc(N3CCCCC3=O)cc2C(F)(F)F)OC1(C)C 170005078 MDXMHZNDZQDJAP-UHFFFAOYSA-N 369.192 3.522 30 50 FHEA CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2C/C(=C\CCCC(=O)O)C[C@H]12 64858027 HIFJCPQKFCZDDL-LPATUSFJSA-N 360.494 3.541 30 50 FHEA in-vitro CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccco1 240902766 IVFRUNMVGVCYJG-XLIONFOSSA-N 353.418 3.665 30 50 FHEA C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 4838549 HQWYVGQNWMHLMT-UHFFFAOYSA-N 367.412 3.778 30 50 FHEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccccc1F 8993534 HNGQDGVCRDTUII-UHFFFAOYSA-N 351.406 3.666 30 50 FHEA CCc1ccc(-c2cc(-c3cc(CC(=O)O)cs3)nc(N)c2C#N)o1 71746789 IUNKFLHWXJPEPL-UHFFFAOYSA-N 353.403 3.713 30 50 FHEA C=CCS(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12718513 DGWHIPQFMSHOQB-HXUWFJFHSA-N 369.486 3.764 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)N=N1 952883070 WNODMMBSJAHMNN-LBPRGKRZSA-N 359.380 3.964 30 50 FHEA Cc1ccc([C@H](C)NC(=O)CO/N=C2/CCOc3ccccc32)cc1C 1875258564 HAYPSCDWIRLAPI-JJXNMMKVSA-N 352.434 3.684 30 50 FHEA C[C@@H]1CCc2sc(N3C(=O)[C@H]4CC(Cl)=CC[C@H]4C3=O)c(C#N)c2C1 4009377 UZFRZCVRHABEJM-XWIASGKRSA-N 360.866 3.767 30 50 FHEA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 4857323 UAHLQBDVTZIETF-GTNSWQLSSA-N 354.431 3.666 30 50 FHEA N#CC1(C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)CCOCC1 452815714 KUJLEPXNUWCKNV-UHFFFAOYSA-N 364.848 3.534 30 50 FHEA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 95363646 ICXPWBCJBNWCDE-JOCHJYFZSA-N 373.500 3.900 30 50 FHEA CCOC(=O)c1c(CSc2ccccc2)nc2c(C#N)c(OC)ccn12 230550971 YZBSLOCUNJKFPC-UHFFFAOYSA-N 367.430 3.684 30 50 FHEA CC[C@@H]1CCc2c(sc(NC(=O)CSc3nccn3C)c2C#N)C1 14067120 CIMFGAHZSSGTDU-LLVKDONJSA-N 360.508 3.599 30 50 FHEA C#CCCC1(CCC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)N=N1 952882252 SUTHQUULAWDYTR-QUCCMNQESA-N 353.466 3.968 30 50 FHEA N#Cc1cc2c(nc1N1CCC(c3ccc(CO)cc3)CC1)CSC2 1875305141 ILRNEWHOFNVLND-UHFFFAOYSA-N 351.475 3.576 30 50 FHEA Cc1ccc([C@]23C[C@@H]2CN(c2c(Br)cncc2C#N)C3)cc1 2325867116 LFOYPIIMHJXJAU-CRAIPNDOSA-N 354.251 3.802 30 50 FHEA CCCCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nnnn21 4368786 JAOQBFOIRJGEJM-SFHVURJKSA-N 367.453 3.510 30 50 FHEA CC/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC 100951535 NKTXCZVERSECAY-DVSFIDLUSA-N 355.463 3.508 30 50 FHEA Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 4709186 NBSMHPCGYXFMHT-UHFFFAOYSA-N 356.407 3.518 30 50 FHEA N#C[C@@H]1N(C(=O)Cc2cccc(Cl)c2Cl)CCC[C@]12CCCCO2 329846661 MGYOKCLTOULCSX-MAUKXSAKSA-N 367.276 3.990 30 50 FHEA CC1=CC2(CCN(C(=O)CC3=C(c4ccccc4)CCC3=O)CC2)OCC1 1704356987 AGWGGIKMPWDZKJ-UHFFFAOYSA-N 365.473 3.921 30 50 FHEA CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 823461 KCHVOCHYVGRHAA-LJQANCHMSA-N 369.461 3.862 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)N=N1 952883462 XOQNIWVKESJKGR-SFHVURJKSA-N 366.509 3.890 30 50 FHEA Cc1nn(C)c(C)c1CCC(=O)N(CC#Cc1ccccc1)CC(C)C 55360613 ATZMIDFSFPHMAO-UHFFFAOYSA-N 351.494 3.506 30 50 FHEA OC(=Nc1nc2ccccc2n1C1CCCCC1)c1cc2n(n1)CCO2 329783424 OPCDUCCAGZJUIO-UHFFFAOYSA-N 351.410 3.767 30 50 FHEA Cc1nc([C@@H]2CCCN2/C(O)=N/[C@@H](C)c2nc(C3CCCCC3)no2)no1 329346049 CCJJVHJHHMWMDE-FZMZJTMJSA-N 374.445 3.621 30 50 FHEA Cc1nn(C)cc1-c1cc(-c2ccc([C@@H](C)N(C)C)cc2)c(C#N)c(N)n1 71715201 BSXQIXHWNRKMJN-CQSZACIVSA-N 360.465 3.534 30 50 FHEA CCCCCCCCCCCCOCCOCCOS(=O)(=O)O 95669525 CJWXGVNXFJTQFT-UHFFFAOYSA-N 354.509 3.760 30 50 FHEA N/C(=N\OC(=O)COc1ccc2ccccc2c1)c1ccc(Cl)cc1 5101988 CDKDUEIJFHSAFA-UHFFFAOYSA-N 354.793 3.736 30 50 FHEA CC(C)(C)c1ccc(OC/C(O)=N/c2ncn[nH]2)c(Br)c1 18221728 FZACAQMTXSRWTO-UHFFFAOYSA-N 353.220 3.532 30 50 FHEA C=CCNc1ccccc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 55359100 VQEKTMYAKXAIOW-QFIPXVFZSA-N 364.489 3.740 30 50 FHEA Cc1noc([C@H]2CCN(C(O)=Nc3ncc(C4CCCCC4)s3)C2)n1 328955114 ITGFRWPZJXDRJG-ZDUSSCGKSA-N 361.471 3.917 30 50 FHEA C[C@H]1CCCCN1C1CN(C(=O)c2ccc(-c3ccccc3C#N)cc2)C1 426563404 QSQKQYQQJYMYEG-KRWDZBQOSA-N 359.473 3.924 30 50 FHEA O=C(O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl 95670510 ANRGSWRBGXZQLY-DMTCNVIQSA-N 363.415 3.982 30 50 FHEA in-vitro C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 1148253 JKQAJAWVTJXGQR-LICLKQGHSA-N 354.406 3.903 30 50 FHEA C=CCn1c(=O)c(CN[C@@H]2CCOC(C)(C)C2)cc2cc3c(cc21)CCC3 12191538 GSMDPQNHOVQTSM-HXUWFJFHSA-N 366.505 3.723 30 50 FHEA N#Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 100340282 UGGJJIHJCXHAPQ-HZVDNRATSA-N 356.381 3.662 30 50 FHEA N#Cc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 722648 CFJZUAFYJYGRPF-UHFFFAOYSA-N 365.614 3.992 30 50 FHEA C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccncc1 862970 GOWGIHOBEJVTGB-UHFFFAOYSA-N 365.462 3.565 30 50 FHEA C[C@@]12OC(=N)[C@@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1ccccc1)O2 245236385 SECSTAJUVLINRG-GWOFKNCZSA-N 368.396 3.809 30 50 FHEA Cc1ccc(CN=C2N[C@H]([C@@H](O)c3ccccc3)[C@@H](C)N2)c2ccccc12 1875349061 LLGBWYXASCTWQN-XGRCMKMKSA-N 359.473 3.688 30 50 FHEA C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21 719220 CBDVEMJKSUSVCA-UHFFFAOYSA-N 374.429 3.994 30 50 FHEA COc1ccc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)cc1Cl 71761242 STOQLUQGEPGICP-UHFFFAOYSA-N 353.813 3.573 30 50 FHEA C[C@@H](NC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 170645023 HUONGEBEEDDCOV-KUHUBIRLSA-N 353.397 3.541 30 50 FHEA N#Cc1cccc(CS(=O)(=O)N2CCC(c3cccc(Cl)c3)CC2)c1 332527146 FSLXWZHOLKXFTB-UHFFFAOYSA-N 374.893 3.921 30 50 FHEA C=CC(=O)N1CCCc2cc(C(=O)N[C@@H](C)c3cccc(C#N)c3)ccc21 2325889765 RWUKWQOXEBOSEE-HNNXBMFYSA-N 359.429 3.514 30 50 FHEA CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328646081 SILZKTSAVXGCPM-ZDUSSCGKSA-N 366.362 3.607 30 50 FHEA CCn1ccnc1[C@@H]1CCCCN1/C(O)=N/[C@@H]1COc2c(C)cccc2C1 329721064 DVPWPOSJAPOVIG-ROUUACIJSA-N 368.481 3.656 30 50 FHEA COc1ccc(/C(C)=N\N=C2/NC(=O)[C@H](Cc3cccc(C)c3)S2)cc1 15659990 SPSBSBSUQXNRJA-GFHXCNCHSA-N 367.474 3.558 30 50 FHEA COc1cc2c(cc1OC)[C@@H](C#N)N(C)[C@@H](Cc1c[nH]c3ccccc13)C2 215972885 LIFURDFPQZSGJI-OXQOHEQNSA-N 361.445 3.849 30 50 FHEA N#Cc1ccccc1S(=O)(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 333926518 VMEGTWJTIAOGHP-SFHVURJKSA-N 352.459 3.517 30 50 FHEA Cc1nc(CCN(C)c2oc(Cc3cccc4ccccc34)nc2C#N)no1 238924299 RURGMTCDGZGFER-UHFFFAOYSA-N 373.416 3.661 30 50 FHEA CS(C)(=O)=Nc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(C#N)cc1 2325814938 NBHOKGIYRSKUNT-JKSUJKDBSA-N 353.447 3.660 30 50 FHEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(OC)cc1 7720527 HXQVAVQMCURDGK-UHFFFAOYSA-N 363.417 3.882 30 50 FHEA C=CCOc1ccc(Cl)cc1[C@@H]1CC(=O)NCc2nc3sccn3c21 65430764 SJWSPROBDJYVSX-ZDUSSCGKSA-N 373.865 3.766 30 50 FHEA Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)cc(C)c1Br 1160261 IABNWWDAVWEPJA-UHFFFAOYSA-N 359.223 3.955 30 50 FHEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccccc1F 6755904 LMERITOPMYVJSI-UHFFFAOYSA-N 367.380 3.713 30 50 FHEA COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)ccc1O 217916582 PCJMFYKBTYEPKG-ZDUSSCGKSA-N 366.369 3.711 30 50 FHEA biogenic COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)c(OC)c1 239121151 JJXCTFJKEBPRLJ-UHFFFAOYSA-N 374.853 3.787 30 50 FHEA O=C(/C=C/c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccccc1 245380106 RKZOLUFQUQJXJG-DNVSFYAZSA-N 369.420 3.894 30 50 FHEA N/C(=N/OCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccs1 170138533 LBGOJBQPDOIZPE-UHFFFAOYSA-N 367.430 3.816 30 50 FHEA C[C@@H](CCC#C[Si](C)(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 169835883 LETWSMSIGMNLOH-WMZOPIPTSA-N 357.526 3.874 30 50 FHEA COc1ccc(NC(=S)N/N=C/c2c(O)ccc3ccccc23)cc1 2506439 LSHZRKICINSQTN-UDWIEESQSA-N 351.431 3.875 30 50 FHEA O=C1c2ccccc2N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1O 651710 QXURFQSYEYFVLP-KRWDZBQOSA-N 351.318 3.811 30 50 FHEA aggregator CCN(CC)C(=O)c1sc(NC(=O)Cc2ccccc2)c(C#N)c1C 871219 XHHOXHQNUHIHRC-UHFFFAOYSA-N 355.463 3.591 30 50 FHEA C=CCc1ccc(OCCOCCOc2ccc(C=O)cc2)c(OC)c1 2985659 FNSNIQSXQDHYMG-UHFFFAOYSA-N 356.418 3.711 30 50 FHEA Cc1ccc(S(=O)(=O)/N=C2\C=C(Cl)C(=O)C(Cl)=C2Cl)cc1 100529109 XRYRPMVIHDWJCQ-LICLKQGHSA-N 364.637 3.519 30 50 FHEA C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1cccnc1 8471969 AHNIQUOWZOYYNW-CQSZACIVSA-N 365.462 3.645 30 50 FHEA CCCCCCCCCCCCOC(=O)CN1CCC(C(N)=O)CC1 101014522 WYEUVBHLUZNGEE-UHFFFAOYSA-N 354.535 3.648 30 50 FHEA CCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1OC 25329322 FRDLROIETYLLGW-XQNSMLJCSA-N 367.493 3.554 30 50 FHEA N#Cc1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 121622593 FMKTVHMVQXSRRE-UHFFFAOYSA-N 363.808 3.922 30 50 FHEA CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc(F)ccc2C#N)CC1 366073617 QCWZGEYIWWGLCB-NRFANRHFSA-N 357.473 3.700 30 50 FHEA C=CCN1C(=O)/C(=C/c2cc(Cl)cc(OC)c2OC)SC1=S 15016605 LZIOCLYZVAPOQZ-GHXNOFRVSA-N 355.868 3.744 30 50 FHEA Cc1c(-c2ccccc2)oc2c(C(=O)N3CC[C@H](C#N)C3)cccc2c1=O 2325864962 HHSWAHALJHTJOZ-OAHLLOKOSA-N 358.397 3.754 30 50 FHEA C=CC/N=c1/sc2c(n1CC(=O)N(c1ccccc1)C(C)C)CCC2 102265575 XVPZQPLADXZDOY-QZQOTICOSA-N 355.507 3.567 30 50 FHEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1C 2495331 IWAHYFTWXZOYGI-QGZVFWFLSA-N 369.461 3.794 30 50 FHEA C[C@H](NC(=O)[C@@]1(C#N)CC12CCOCC2)c1ccc(-c2ccncc2)cc1 1875276010 CAOHKPXWEYDFBE-AOMKIAJQSA-N 361.445 3.636 30 50 FHEA O=C(/C=C\c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccccc1 252320788 RKZOLUFQUQJXJG-HTMJBMPESA-N 369.420 3.894 30 50 FHEA CCOc1cccc(/C=N\NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 32573574 QCLUBDJCSSBMHG-ZDLGFXPLSA-N 373.261 3.705 30 50 FHEA N#Cc1ccc(Cl)cc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 301163100 CRHWQJNQUZIEBT-OAHLLOKOSA-N 355.873 3.914 30 50 FHEA O=C1C=C(c2cccs2)C[C@@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])n1 1056206 WQFXMBBDKDFVAK-WMLDXEAASA-N 366.402 3.629 30 50 FHEA C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCC=C)c(OC)c2)C1=O 15011132 FEZHHJAYXHVRRT-UVTDQMKNSA-N 363.822 3.583 30 50 FHEA Cc1c(C#N)c(N2CCC(OCc3cccnc3)CC2)nc2ccccc12 1857672399 BGCBIZOBHPMCMC-UHFFFAOYSA-N 358.445 3.996 30 50 FHEA N#Cc1ccccc1CN1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356149921 YLPPQKXWOQXJCI-DEOSSOPVSA-N 373.500 3.758 30 50 FHEA C[C@]12C=CC(=NOCC(=O)O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 253533797 RLZYCYTZQGHRMD-LHZXLZLDSA-N 373.493 3.933 30 50 FHEA biogenic CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1/C=N/Cc1ccc(OC)cc1 100113007 LGGWGHPIMBJDPE-OEAKJJBVSA-N 367.424 3.885 30 50 FHEA COc1cccc([C@@H]2CCCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)c1 952987493 OBHKWDVHPYRLMK-IBGZPJMESA-N 367.445 3.778 30 50 FHEA Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1 1187386 PBWXQAVUALPKDK-OEAKJJBVSA-N 355.397 3.960 30 50 FHEA COc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)cc2OC)c(OC)c1 12342963 ALPRNNHLTNJSAQ-JFMUQQRKSA-N 356.422 3.954 30 50 FHEA C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 19773100 ICAFQYJYPKANBZ-QNGOZBTKSA-N 372.856 3.790 30 50 FHEA Cc1c(C(=O)O/N=C(\N)Cc2cccc3ccccc23)cccc1[N+](=O)[O-] 4680020 GHSXJOXIECMNTE-UHFFFAOYSA-N 363.373 3.728 30 50 FHEA COc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 5513507 XUVNAXPFOYQJLR-LZYBPNLTSA-N 351.156 3.822 30 50 FHEA C=CCn1c(SCC2CCC(F)(F)CC2)nnc1C1CCNCC1 426697345 NRWCYDBZJFYHMV-UHFFFAOYSA-N 356.486 3.849 30 50 FHEA C=CCCC(=O)NCc1nnc(SCCc2ccccc2)n1CC(C)C 14997532 HHGGJBLKGRRFPX-UHFFFAOYSA-N 372.538 3.851 30 50 FHEA N#Cc1cc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)ccc1F 225537044 VPHQWDDJRXMPHU-LBPRGKRZSA-N 352.335 3.819 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CC(C)(C)C)c2cccnc2)o1 828166506 SWGLIPAVCNZYKX-KRWDZBQOSA-N 354.450 3.704 30 50 FHEA N#Cc1cccnc1-c1cccc(-c2ccn(Cc3noc(C4CC4)n3)n2)c1 19841236 ASRVHUHBHLDORV-UHFFFAOYSA-N 368.400 3.792 30 50 FHEA C=CCN(CC=C)Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn12 169777117 RXFANTOISMFUDH-UHFFFAOYSA-N 372.432 3.620 30 50 FHEA C#CCCC1(CCC(=O)N2CCC(CN3CCc4ccccc43)CC2)N=N1 952879385 DQDQSTBCZRSXSU-UHFFFAOYSA-N 364.493 3.643 30 50 FHEA Cc1nc([C@H](C)N(C)C(=O)c2ccc(C#CC(C)(C)O)cc2)c(C)s1 215001310 OYBJJCQEIAAAOO-ZDUSSCGKSA-N 356.491 3.716 30 50 FHEA CCN1CC2(CCN(c3cccc(C#N)n3)CC2)C[C@H](c2ccccc2)C1=O 91444811 LIJBOQOMRHNGAD-HXUWFJFHSA-N 374.488 3.576 30 50 FHEA C=CCn1c(CN(C)Cc2cccc(C)n2)nnc1SCC(=C)Cl 14989549 NFELIXDKGSYQCQ-UHFFFAOYSA-N 363.918 3.644 30 50 FHEA CC1(C)OB(c2cccc(NC(=O)OCc3ccccc3)c2)OC1(C)C 169747691 YTHYGIAKHGUUAN-UHFFFAOYSA-N 353.227 3.735 30 50 FHEA CC1(C)OB(c2cccc([N+](=O)[O-])c2NCc2ccccc2)OC1(C)C 169936408 NDECCQMBNWZQTQ-UHFFFAOYSA-N 354.215 3.506 30 50 FHEA CC1(C)OB(c2cccc(NC(=O)Nc3ccc(F)cc3)c2)OC1(C)C 383817999 DROHSQGQVUNSNN-UHFFFAOYSA-N 356.206 3.769 30 50 FHEA CC1(C)CN(/C(O)=N/[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@@H]1c1cccnc1 330270202 SZODEXRKYSNAIA-MLHJIOFPSA-N 355.482 3.726 30 50 FHEA CN(C)[C@H]1CCCN(C(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)C1 426389262 MLVPOSUUIHIDSU-IBGZPJMESA-N 351.425 3.531 30 50 FHEA O=C(C[n+]1ccc(-c2cccs2)nc1)c1cccc(Br)c1 5891375 NFFCOYYDTYCKDM-UHFFFAOYSA-N 360.256 3.743 30 50 FHEA C=CCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12373692 JUJORZRXSOKAPB-SFHVURJKSA-N 362.473 3.898 30 50 FHEA Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(O)c(O)c2)S1 15016567 IEEVDKUPTDQKPA-NVNXTCNLSA-N 360.822 3.951 30 50 FHEA C=CCOC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)/C=C/c1ccccc1 16192426 NRBXOCXACPCOSW-LNNYTJQRSA-N 363.413 3.595 30 50 FHEA O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 16972762 ICZDBGCTWHNIEE-VFJJTOLMSA-N 368.245 3.751 30 50 FHEA Sc1nnc(-c2ccccc2Br)n1/N=C/c1cccs1 6059953 WKFDDDIQRRRSJR-OVCLIPMQSA-N 365.281 3.940 30 50 FHEA O[C@H](c1ccccc1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 2592854 DCYBJXGGLMLHFT-HQJQHLMTSA-N 354.168 3.915 30 50 FHEA C=CCN(Cc1ccccc1OCC)C(=O)c1cccc(NC(C)=O)c1 55280984 RMOGAJUPRPEZNA-UHFFFAOYSA-N 352.434 3.872 30 50 FHEA COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 95682038 OJPGHRSOBKDLSK-UHFFFAOYSA-N 360.094 3.601 30 50 FHEA Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2ccncc2)cc1 254290680 KPJFJUXLXFZKES-UHFFFAOYSA-N 351.431 3.941 30 50 FHEA N#Cc1ccc(-c2cn3c4ccccc4n(CCN4CCCC4)c3n2)cc1 253470534 CEYZWWUTENQYAF-UHFFFAOYSA-N 355.445 3.923 30 50 FHEA N#Cc1ccccc1N1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 826797317 UVKWQRGFUDDXMO-HXUWFJFHSA-N 351.450 3.715 30 50 FHEA C=CCNC(=O)c1sc2ncnc(NCc3ccccc3OC)c2c1C 14991315 YQPMZZBYBJGQSQ-UHFFFAOYSA-N 368.462 3.536 30 50 FHEA C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 4137556 MEXBKIYCXWUGLD-OAHLLOKOSA-N 369.446 3.514 30 50 FHEA CC(C)(C(=O)Nc1ccc2c(c1)NC(=O)CCC2)c1ccc(C#N)c(F)c1 2325792887 SMJIAMPMWUJTIK-UHFFFAOYSA-N 365.408 3.888 30 50 FHEA C=C[C@H]1CCCCN1C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 225618786 LJCMAJIUDLRKNO-INIZCTEOSA-N 372.490 3.937 30 50 FHEA C[C@H](Cc1ccco1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 218518604 RMYNHTNTNDZZBC-CYBMUJFWSA-N 365.458 3.546 30 50 FHEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccc(F)cc21 224892120 VPSKWZLJMTUPPE-UHFFFAOYSA-N 361.222 3.863 30 50 FHEA C[C@@]12OC(=N)[C@@](C#N)([C@@H](c3ccccc3)O1)C(C#N)(C#N)[C@@H]2c1ccccc1 226940039 MYHXPTPDSAEKDZ-HROGELHOSA-N 368.396 3.809 30 50 FHEA Cc1nn(-c2ccccc2)c(C)c1/C=N\N1CCN(Cc2ccccc2)CC1 12372218 FOORCIAZMIWALX-ULJHMMPZSA-N 373.504 3.641 30 50 FHEA N#CCc1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c(Cl)c1 411023357 ZLJXPFJWBZZJNM-MQYQWHSLSA-N 358.747 3.700 30 50 FHEA C=CCN(C1CCCCC1)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N 6668707 HQTMJYZBBQOFAE-UHFFFAOYSA-N 367.902 3.733 30 50 FHEA N#Cc1cc2c(nc1SCCS(=O)(=O)Cc1ccccc1)CCCC2 676664 LRVZMWVRHWRLOP-UHFFFAOYSA-N 372.515 3.539 30 50 FHEA CCCCOc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1[N+](=O)[O-] 170003730 IGXDVRDEKNITOV-UHFFFAOYSA-N 355.627 3.726 30 50 FHEA CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)(O)O)[nH]c2c1 38149376 FZEKCWYSFVMPDZ-AWEZNQCLSA-N 369.402 3.575 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 4906907 LCNHMTWIHYLEKA-QUCCMNQESA-N 365.385 3.914 30 50 FHEA aggregator C#CCCC1(CCC(=O)NCc2cccc(CN3CCC(C)CC3)c2)N=N1 952881441 LWIXSGUDUYZWLL-UHFFFAOYSA-N 366.509 3.890 30 50 FHEA COc1ccccc1CC(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl 4845105 DAIJKQBWNWTGTJ-UHFFFAOYSA-N 367.232 3.603 30 50 FHEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1ccccc1 6703814 JSTLVEGJHNCCNN-UHFFFAOYSA-N 364.405 3.965 30 50 FHEA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(C#N)c(Cl)n3)nc2c1 225803680 GCTCFKRAAYOXBB-INIZCTEOSA-N 365.824 3.769 30 50 FHEA C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 26846068 TZUGIFAYWNNSAO-AZQGJTAVSA-N 366.461 3.593 30 50 FHEA biogenic,in-vitro Cc1cc(C#N)ccc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 331888805 IOMRRWSIANCFBD-AEFFLSMTSA-N 374.362 3.834 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(Cc1cc3cc(F)ccc3n1C)CC2 91695115 YORVOJDQXBNTKR-UHFFFAOYSA-N 369.484 3.708 30 50 FHEA COc1ccc(/C=N/n2c(S)nnc2-c2cccc(Cl)c2)cc1OC 6007193 VZZBGONSWWXJER-VXLYETTFSA-N 374.853 3.787 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2C#N)C[C@H]1c1ccccc1 1080027 OLWLAXYIZFLXQE-GHTZIAJQSA-N 360.413 3.790 30 50 FHEA C=CCN1C(=O)/C(=C/c2cc(O)ccc2Br)SC1=S 1120914 AGUXUIISBKNDKL-XFFZJAGNSA-N 356.266 3.542 30 50 FHEA COc1cc(CNC2CCCCC2)cc(Br)c1OCC#N 16578985 BFBZYTZLIRJPOR-UHFFFAOYSA-N 353.260 3.782 30 50 FHEA CC(C)(C)[C@H](CC1CCCCC1)NCc1cc(O)n2ncc(C#N)c2n1 2325850422 YFIYPVUOVWLKFZ-KRWDZBQOSA-N 355.486 3.781 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 629483 IPVUJUCLQYBCRD-LJQANCHMSA-N 369.461 3.862 30 50 FHEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2F)cc1 6819746 SHNSJIYHHFCBLI-YOEHRIQHSA-N 365.404 3.839 30 50 FHEA COc1cc(OC)c(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c(OC)c1 5432742 CLJWGOFDPZICCW-YBFXNURJSA-N 370.434 3.516 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccccc2C)nc2ccccc2c1=O 784851 PMWDFPDRQZLCDZ-UHFFFAOYSA-N 365.458 3.622 30 50 FHEA N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](CO)c1c(Cl)cccc1Cl 225462897 RERURQIZUWGNPM-AWEZNQCLSA-N 352.177 3.919 30 50 FHEA C=CCOc1c(Cl)cc(C(=O)NCc2cnc(C)cn2)cc1Cl 55211903 AHCNXKRKGKFWOC-UHFFFAOYSA-N 352.221 3.587 30 50 FHEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cc(-c2cnn(C)c2C)[nH]n1 55326240 GXUSGJJXKYJYJL-IRXDYDNUSA-N 365.481 3.800 30 50 FHEA N#CC1(/N=C(/O)CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 329502120 WBVLHPZPOUDIIF-ZDUSSCGKSA-N 368.264 3.849 30 50 FHEA N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 329776946 OOCIQCRINPZEIG-RBUKOAKNSA-N 362.429 3.760 30 50 FHEA C=CC[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)OCC 170594730 FSQISKOYJMEOFU-CQSZACIVSA-N 351.855 3.721 30 50 FHEA CCCNc1cc(OCCC)c(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170003480 VXQDAUGSPNGEKL-UHFFFAOYSA-N 364.251 3.505 30 50 FHEA CCOC(=O)Cc1csc(N/N=C\c2ccc(C(F)(F)F)cc2)n1 31850106 WZNOYEYUHXNTHD-UWVJOHFNSA-N 357.357 3.714 30 50 FHEA COc1ccc(-c2n[nH]cc2-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1 71762937 QIYVEXPKEPZDNC-UHFFFAOYSA-N 356.389 3.596 30 50 FHEA C=CCNc1nc(N2CCN(C3CCCCC3)CC2)nc2ccccc12 41150820 HSHRKDCXRZWYHN-UHFFFAOYSA-N 351.498 3.682 30 50 FHEA COc1ccc(NC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 201356998 PBQZNKYMOAQGFN-UHFFFAOYSA-N 368.242 3.638 30 50 FHEA N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC3(CC2)C(F)(F)C32CCC2)cc1 1875278570 LPALKFDDAMUTSG-KRWDZBQOSA-N 369.415 3.669 30 50 FHEA C=CCc1cccc2cc(C(=O)Nc3cc(OC)ccc3OC)c(=O)oc12 678108 DFSVRECABFEBEI-UHFFFAOYSA-N 365.385 3.791 30 50 FHEA CC1(C)OB(c2cc([N+](=O)[O-])c(NCc3ccccc3)cc2F)OC1(C)C 170003509 UWDTVQAGQVRSED-UHFFFAOYSA-N 372.205 3.645 30 50 FHEA N#C[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(Cn4ccnc4)cc3)c2)C1 426698500 WCVBUUOYCUMNRM-IBGZPJMESA-N 370.456 3.974 30 50 FHEA N#Cc1ccccc1-c1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)o1 72164663 WTCCYUZOFKUOIH-QGZVFWFLSA-N 357.413 3.713 30 50 FHEA C[C@H](C1CC1)N(Cc1ccccc1)/C(O)=N/[C@@H]1CCO[C@@]2(CCOC2)C1 329140157 JGYYHZJPMSVFDD-BSIFCXSSSA-N 358.482 3.539 30 50 FHEA COC(=O)c1ccc2nc(C/N=C(/O)COc3ccc(C)cc3C)[nH]c2c1 328591817 OWLLLZDDWOTDNC-UHFFFAOYSA-N 367.405 3.502 30 50 FHEA COCc1cccc(S(=O)(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1 184235155 ZKMSTNHCBMQUMX-UHFFFAOYSA-N 364.511 3.610 30 50 FHEA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C(\N)c1ccccc1 5065672 OQPVTIGUMOYIEY-SNVBAGLBSA-N 353.205 3.624 30 50 FHEA C=CCCC(=O)NC[C@@H](C)Oc1cccc(CN(C)Cc2ccoc2)c1 11997188 CWLYLEBVUFXQNI-QGZVFWFLSA-N 356.466 3.761 30 50 FHEA CCOc1ccc(NC(=O)[C@H](CN(C)C)/C(C)=N/Nc2ccccc2)cc1 5593068 OSKLLCPAFRXLMZ-OGTCDWKQSA-N 368.481 3.690 30 50 FHEA C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(OCC#N)cc1 1875363338 SCRZKKISAGRAKK-JTQLQIEISA-N 350.205 3.782 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc12 628877 HYISLMYYKFAVGX-IBGZPJMESA-N 364.445 3.945 30 50 FHEA CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2F)c(C#N)c1C 711836 BWHBMHQXPYYWOT-UHFFFAOYSA-N 359.426 3.802 30 50 FHEA C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 2093859 FIQQWZVPSUHBSD-UHFFFAOYSA-N 354.475 3.783 30 50 FHEA N#CCc1ccc(NC(=O)c2ccccc2I)cc1 4820289 QHPLHJDKNRSUOV-UHFFFAOYSA-N 362.170 3.610 30 50 FHEA Cc1cc(Br)c(C(=O)Nc2cccc(C#N)n2)cc1Cl 1437075665 XXPNIIRBCTWBCA-UHFFFAOYSA-N 350.603 3.930 30 50 FHEA CC(C)c1nnc([C@@H](C)NC(=O)CC2=C(c3ccccc3)CCC2=O)o1 426613690 XBSYEFQBBHPBLM-CYBMUJFWSA-N 353.422 3.577 30 50 FHEA C#Cc1cccc(C(=O)N2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c1 11820107 FITUXCWTFTVUOH-UHFFFAOYSA-N 363.367 3.535 30 50 FHEA COc1ccc(N2CCN(/C(S)=N\Cc3ccc(C)cc3)CC2)cc1 13519858 BGPJTNKTUDOAJJ-UHFFFAOYSA-N 355.507 3.612 30 50 FHEA C=CCn1c(CN(C)CC2CCCCC2)nnc1SC[C@@H]1CCCO1 15066986 HMLBSAZPNALFHW-KRWDZBQOSA-N 364.559 3.747 30 50 FHEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 18067686 WXFWYEUEBIQUDN-NRFANRHFSA-N 373.456 3.997 30 50 FHEA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cccc(Cl)c2C#N)[nH]n1 159883103 FIGJMFFSRILFOY-SNVBAGLBSA-N 352.847 3.639 30 50 FHEA C=CCOc1ccc(C(=O)N(CC=C)Cc2ccncc2)cc1OCC 55072390 VMEDDBCXDQNFJF-UHFFFAOYSA-N 352.434 3.874 30 50 FHEA O=C(O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 4072823 QVLBZDANHVVABB-LBBLGXEFSA-N 373.321 3.967 30 50 FHEA Cc1cc(C)c(OCC(=O)Nc2ccccc2C#N)c(Br)c1 1156846 CLYRCRQFSVSMDE-UHFFFAOYSA-N 359.223 3.955 30 50 FHEA Cc1nc(C)c(-c2cc(-c3ccc4c(c3)OCCO4)nc(N)c2C#N)s1 67965055 AFWFOZUWPWYMRD-UHFFFAOYSA-N 364.430 3.714 30 50 FHEA N#CC1(F)CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 462455449 RWIWGDHKQXTSTE-UHFFFAOYSA-N 367.302 3.828 30 50 FHEA C#CCCC1(CCC(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)N=N1 952880778 LSZQQOXUTUSNFO-KRWDZBQOSA-N 363.465 3.691 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 19772321 RTBXOPCSZVYUGQ-MRXNPFEDSA-N 365.351 3.846 30 50 FHEA C#CCCC1(CCNC(=O)c2ccccc2C(=O)c2ccc(C)cc2)N=N1 2325893558 DWPRTCCFHMHCPY-UHFFFAOYSA-N 359.429 3.921 30 50 FHEA COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccn2)cc1 9060827 IBDOPZXHFIEKIO-UHFFFAOYSA-N 360.417 3.551 30 50 FHEA CCOC1CCN(C(=O)c2cccc(-c3cc(C)c(C#N)c(C)n3)c2)CC1 584902735 ZVOYGWKVJWOQBQ-UHFFFAOYSA-N 363.461 3.878 30 50 FHEA C[C@H](Nc1nccnc1C#N)c1nc(-c2ccc(Br)cc2)c[nH]1 170616198 HPQROVYBUFNNCK-JTQLQIEISA-N 369.226 3.674 30 50 FHEA C=C(C)CN(CC)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C 12456359 IKUMCDQPVOSFQZ-CQSZACIVSA-N 374.510 3.629 30 50 FHEA O=S(=O)(/N=C(/NCc1ccccc1)c1ccccc1)c1ccccc1 18155262 DRYHJCRQIRFOBJ-UHFFFAOYSA-N 350.443 3.612 30 50 FHEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1ncc(C#N)cc1Cl 328614590 ALHBFHPBANTIGE-SNVBAGLBSA-N 369.778 3.521 30 50 FHEA N#Cc1cccnc1-c1cccc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)c1 426396354 FKAFQXXISPBKBO-KRWDZBQOSA-N 374.488 3.615 30 50 FHEA O=S(=O)(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1 2390482 ROHMQNRVYUDJSJ-RCCKNPSSSA-N 366.442 3.578 30 50 FHEA C=C(C)CC[C@H](C)N1CCC(Oc2cccc(C(=O)NCCOC)c2)CC1 12457797 YIRQMAVXRGDWSC-SFHVURJKSA-N 374.525 3.651 30 50 FHEA Cc1cc(C)c(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1 626907 ZAFZDSFBJJYFSO-UHFFFAOYSA-N 350.399 3.652 30 50 FHEA CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 1179266 DRBWEZGYURQWAM-UHFFFAOYSA-N 361.731 3.847 30 50 FHEA O=C1C(Nc2ccc(F)c(F)c2)=C(N2CCCC2)C(=O)c2ccccc21 4725352 ZAPYHKKXEHHZKF-UHFFFAOYSA-N 354.356 3.763 30 50 FHEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccc(C)cc2)cc1 6876065 ZQZMVKMHLRLOFB-XDHOZWIPSA-N 353.451 3.519 30 50 FHEA N#Cc1cccc(NC(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)c1 299797210 MPSGPUVQQDHTPN-OAQYLSRUSA-N 363.461 3.796 30 50 FHEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1[N+](=O)[O-] 19638831 OHPHPQGVFJPTGQ-QGZVFWFLSA-N 370.405 3.516 30 50 FHEA Cc1c(C#N)c(N2CCC(c3nnc4ccccn34)CC2)nc2ccccc12 450228017 SIXBINHQCPFUHU-UHFFFAOYSA-N 368.444 3.842 30 50 FHEA O=C(N=c1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH][nH]1)C1CCC(/N=C(/O)C2CC2)CC1 330012557 KTJBDQXGWQELEU-GUDCLLOWSA-N 370.497 3.599 30 50 FHEA C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCN(CC)CC1 5266734 OQGFHIZWRVDRES-UHFFFAOYSA-N 361.493 3.575 30 50 FHEA C=CCc1cc(OC)c(O[C@@H](C)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1 13311350 ULZFTGWWPHYLGI-RNODOKPDSA-N 374.433 3.647 30 50 FHEA endogenous,in-man C#CCCC1(CCC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)N=N1 952879760 HDEJURHIMLISFT-QUCCMNQESA-N 361.449 3.584 30 50 FHEA COc1ccc(/C=N/n2c(S)nnc2-c2cccc(Cl)c2)c(OC)c1 6005679 ZXJWZKSNJHGRQZ-VXLYETTFSA-N 374.853 3.787 30 50 FHEA Cc1cc(N2CCC(Cn3cccn3)CC2)n2c(nc3ccccc32)c1C#N 112557424 PUGMAASOCWMAAJ-UHFFFAOYSA-N 370.460 3.781 30 50 FHEA C=CCSc1nnc([C@@H]2CCCN(Cc3c(F)cccc3F)C2)n1C 20295383 PTPDPPLJNYJVOG-CYBMUJFWSA-N 364.465 3.751 30 50 FHEA CN(C)/C=C(\C(=O)C(F)(F)F)c1onc(-c2ccccc2Cl)c1C#N 3047662 ZPPJVULDPSSDJE-FLIBITNWSA-N 369.730 3.901 30 50 FHEA CC(C)(C)OC(=O)n1cc(C=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21 169746317 JESCSZOSDNZDNX-UHFFFAOYSA-N 371.242 3.536 30 50 FHEA C=CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC 4832384 VHKBWVBTPWULCX-QPJJXVBHSA-N 352.386 3.927 30 50 FHEA COC(=O)c1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 6003867 DUSAAVXEKQACJV-VXLYETTFSA-N 372.837 3.556 30 50 FHEA N#Cc1c(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)sc2c1CCCCC2 100709467 RRSKSLDMAKYXOF-STQMWFEESA-N 360.866 3.911 30 50 FHEA CC/N=C(/O)N1CCc2ccc(NC(=O)c3ccnn3C3CCCC3)cc21 330085697 DAADBZAILHZSSQ-UHFFFAOYSA-N 367.453 3.547 30 50 FHEA CC1(C)C[C@@](CCNC(=O)N2CCC(C#N)CC2)(c2ccccc2)CCO1 426430971 FSSLGWINRITJJN-QFIPXVFZSA-N 369.509 3.849 30 50 FHEA Fc1cccc(Cl)c1/C=N/n1c(S)nnc1COc1ccccc1 6061716 NXJXYWHRULOFSQ-DJKKODMXSA-N 362.817 3.821 30 50 FHEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccco1 229742301 OUCQPFCLFGZBQQ-HKBOAZHASA-N 353.418 3.678 30 50 FHEA biogenic C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 36493650 VDYLVWGBLQNNAW-UVTKPVMCSA-N 361.482 3.767 30 50 FHEA in-vitro COc1ccc(N/C=C(\C(C)=O)c2ccc(OC)c(OC)c2)cc1OC 100309733 PFDCHQMKDPEYAH-FOWTUZBSSA-N 357.406 3.763 30 50 FHEA C#CCN1C(=O)S/C(=C/c2ccc(OCC)c(Br)c2)C1=O 1167252 UIVXPWMFWREELE-UKTHLTGXSA-N 366.236 3.517 30 50 FHEA COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 4252699 TVKGYMYAOVADOP-SOFGYWHQSA-N 358.390 3.626 30 50 FHEA biogenic,in-vitro C#CCCC1(CCC(=O)NC2([C@H](O)c3ccccc3)CCCCC2)N=N1 2325892830 IGELCPDEGZAKNT-LJQANCHMSA-N 353.466 3.895 30 50 FHEA CC1(C)OB(c2ccccc2Oc2ccc(F)cc2[N+](=O)[O-])OC1(C)C 170006549 YZJBRJPTLDXBJP-UHFFFAOYSA-N 359.162 3.825 30 50 FHEA Cc1nc(-c2ccc(C#CC(C)(C)O)o2)n(-c2cccc3cccnc23)n1 63872515 MGOSWXGOUOKWPW-UHFFFAOYSA-N 358.401 3.506 30 50 FHEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]21C 253501768 QXTWZEGENLVVRE-CYRMBFQRSA-N 368.473 3.961 30 50 FHEA COc1ccc(Br)cc1/C=C1\C(=O)ON=C1c1ccccc1 13658895 JYEYQUZDPXJGCI-UVTDQMKNSA-N 358.191 3.802 30 50 FHEA C#CCCC1(CCC(=O)NCC[C@@H](c2ccccc2)N2CCCC2)N=N1 2325892792 DEXGVOUIYSTASU-IBGZPJMESA-N 352.482 3.686 30 50 FHEA Cc1ccc2c(C(=O)N3CCC(C#N)CC3)cc(-c3cncnc3)nc2c1C 63881586 WYCARCUNWIAMNQ-UHFFFAOYSA-N 371.444 3.684 30 50 FHEA C[C@@H]1CN(Cc2csc(N=C(O)[C@@H]3Cc4ccccc43)n2)C[C@@H](C)O1 329446860 CRBOCHLSBWPPMU-PBFPGSCMSA-N 357.479 3.680 30 50 FHEA COC(=O)c1ccccc1CSc1nsc(/C=C/N(C)C)c1C#N 52525242 INTYVQYOLVFKDX-CMDGGOBGSA-N 359.476 3.626 30 50 FHEA COc1cc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)cc(OC)c1O 1261532 KKQPACSTVTYRPJ-VCHYOVAHSA-N 362.455 3.593 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(OCCN3CC[C@H](C)C3)cc2)N=N1 2325892651 VPHCJUPCOBUODV-KRWDZBQOSA-N 368.481 3.701 30 50 FHEA COc1ccc(OC)c(/C=N/n2c(S)nnc2-c2ccccc2Cl)c1 6005394 NRRAKWQPPWWYNJ-VXLYETTFSA-N 374.853 3.787 30 50 FHEA CC/C(=N/NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O 17073314 SXIYJDHISJMRNB-ZZEZOPTASA-N 354.431 3.638 30 50 FHEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccs1 12385073 UIUNWMXQKVVVBW-DPZKZMLUSA-N 368.458 3.979 30 50 FHEA OC(=Nc1ccc(OC2CCCC2)nc1)N1CCc2ccc(O)cc2C1 328799840 XYGPTXIHVQSATE-UHFFFAOYSA-N 353.422 3.712 30 50 FHEA Cc1cc(C(=O)Nc2[nH]nc(C3CC3)c2C#N)c(C)cc1Br 331551522 RTNDQXIJHNNVKC-UHFFFAOYSA-N 359.227 3.790 30 50 FHEA N#CC1(C#N)[C@@H](c2cccc(F)c2)O[C@@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 229820820 GVGVMAUFZVITNQ-YAJHFMINSA-N 364.380 3.725 30 50 FHEA N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2 239338961 LMIIDBUTDNKZTA-MWDDYTRKSA-N 370.474 3.740 30 50 FHEA CCOC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@H](O)CC[C@@]32C)[C@H]1C/C=N/O 257358111 RSZALTHHHIVRCG-RGOJDAEASA-N 363.498 3.930 30 50 FHEA CC1CCN(CN2C(=O)/C(=N\Nc3ccccc3F)c3ccccc32)CC1 33821626 OTRWPNXIJCEHKY-GFMRDNFCSA-N 366.440 3.678 30 50 FHEA CN(C)/C=C/C=C/C=C/C(=O)[C@@H]1CCC/C(=C\C=C\C=C\N(C)C)C1=O 19338273 RAYDTQZBAVKYMJ-RYCYJKGVSA-N 354.494 3.670 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccn1 19761314 SEDUCHOIUKMEMK-KSFYIVLOSA-N 374.440 3.616 30 50 FHEA O[C@](C#C[C@@](O)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F 4348159 CAWQSBSWIGDWAY-HZPDHXFCSA-N 374.280 3.890 30 50 FHEA CC[C@H](NC(=O)c1ccc(-c2cc(C)c(C#N)c(C)n2)cc1)c1ccnn1C 584898847 DYOQEJJZMSZYFN-IBGZPJMESA-N 373.460 3.852 30 50 FHEA CC(C)c1noc([C@H](Nc2ncc(C#N)cc2Cl)C2CCOCC2)n1 275391550 PLMIAOWASLKDKX-CQSZACIVSA-N 361.833 3.693 30 50 FHEA Brc1cccc(C=NN2CCN(Cc3ccccc3)CC2)c1 1739382 RMVJSHOIENRKIK-UHFFFAOYSA-N 358.283 3.601 30 50 FHEA Cn1c([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 3091326 YUUXBOGKYUNAHL-LBPRGKRZSA-N 354.753 3.625 30 50 FHEA CCc1ccc(OCC(=O)O/N=C(\N)Cc2cccc3ccccc23)cc1 4803109 DLOPWQRUZHZBTE-UHFFFAOYSA-N 362.429 3.839 30 50 FHEA Cc1cc(F)ccc1C1CCN(/C(O)=N/[C@H]2CCc3nc[nH]c3C2)CC1 330216714 NIGRSPZOVDKLOB-INIZCTEOSA-N 356.445 3.508 30 50 FHEA CC(=O)OC[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CC[C@@H](C(=O)O)[C@@]3(C)CC[C@H]12 254712720 HOGUPSMVUUERKH-MGNVCTHBSA-N 374.477 3.762 30 50 FHEA CCOc1ccc(/C=N/n2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 1241796 VBSOPLCTKKGXDL-XDHOZWIPSA-N 354.435 3.897 30 50 FHEA CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccccc1Br 12413049 PERJGGYQKUEGTB-CYVLTUHYSA-N 357.211 3.640 30 50 FHEA C=CCc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(OC)c1O 1132050 BSPVIIVOKRWQQE-UHFFFAOYSA-N 368.458 3.973 30 50 FHEA C=C(C)COc1ccccc1C(=O)NCc1noc(-c2cccs2)n1 55357717 VJQKAKWMKSBACU-UHFFFAOYSA-N 355.419 3.683 30 50 FHEA COc1cc(-c2cc([C@H]3CCOC(C)(C)C3)c(C#N)c(N)n2)ccc1O 67834341 OAOMVNDZUKSYQR-ZDUSSCGKSA-N 353.422 3.589 30 50 FHEA O/C(=N/[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCOCC(F)(F)C1 329677140 VCDZRPRQIHRKKT-HNNXBMFYSA-N 366.408 3.705 30 50 FHEA N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCCC2 239306214 GOBRYYYVULIYOP-MWDDYTRKSA-N 370.474 3.740 30 50 FHEA Cc1nc2c(s1)[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)CCC2 777319139 ZSCYABHVCYHQSC-QZTJIDSGSA-N 367.474 3.913 30 50 FHEA Cc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 2347002 DHOLMHFYXLBMEV-RGRGLRPZSA-N 365.418 3.998 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 709770 HMTNWISSBLDMFL-UHFFFAOYSA-N 363.335 3.960 30 50 FHEA Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(c2ccc(CO)cc2)CC1 2325770104 CREPDVZIMKVHJJ-UHFFFAOYSA-N 362.473 3.616 30 50 FHEA CCc1ccc(OCC(=O)Nc2cccc(C#N)c2)c(Br)c1 676546 PBYUKOGVECZDTD-UHFFFAOYSA-N 359.223 3.901 30 50 FHEA CO[C@@H]1CCC[C@H](CC(=O)N[C@H](C#N)c2cccc(Br)c2)C1 279773044 KJVGIOIIBGMPIO-APHBMKBZSA-N 365.271 3.725 30 50 FHEA N#CC1(C#N)[C@H](c2cccc(F)c2)O[C@@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 227088719 GVGVMAUFZVITNQ-GIYDNNGJSA-N 364.380 3.725 30 50 FHEA Sc1nnc(-c2ccccc2)n1N=Cc1ccccc1Br 239046946 GAANKWCOVACVSR-UHFFFAOYSA-N 359.252 3.879 30 50 FHEA CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 5445524 HPXDBAHIKCHFLK-OAHLLOKOSA-N 372.218 3.657 30 50 FHEA C[C@H]1Oc2ccc(Br)cc2N(Cc2ccc(C#N)cc2)C1=O 215941525 WQHNDHWZVNWJQQ-LLVKDONJSA-N 357.207 3.635 30 50 FHEA in-vitro COc1ccc(Br)cc1/C=N/NC(=S)Nc1ccccc1 731182 TXOQLLOOXSHJEY-LICLKQGHSA-N 364.268 3.778 30 50 FHEA C=CCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1 4949601 FYKOMWNMJKXHQO-RGEXLXHISA-N 351.402 3.504 30 50 FHEA Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 2781030 BNEIDZXSFSSPNM-VIFPVBQESA-N 368.384 3.832 30 50 FHEA CC(C)c1noc([C@@H](Nc2ncc(C#N)cc2Cl)C2CCOCC2)n1 275391547 PLMIAOWASLKDKX-AWEZNQCLSA-N 361.833 3.693 30 50 FHEA C#CCCC1(CCC(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)N=N1 952879173 ASZIGGZOAMZWAT-OAHLLOKOSA-N 363.820 3.735 30 50 FHEA C=C(C)COc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 7499528 PHYBXLBCZLPXFH-UHFFFAOYSA-N 366.461 3.613 30 50 FHEA N#Cc1c(N)nc2c(c1-c1ccc([C@@H]3CCCO3)s1)N1CCC2CC1 101882802 IHTIZEZPPAONER-ZDUSSCGKSA-N 352.463 3.813 30 50 FHEA Cc1sc(NC(=O)CN2C[C@@H]3CCC(=O)c4cccc2c43)c(C#N)c1C 184798764 XULYGQDQVYMCJP-ZDUSSCGKSA-N 365.458 3.755 30 50 FHEA C/N=C(/O)c1cccc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1 328635702 NPIDFTLPYCYRAW-LJQANCHMSA-N 352.482 3.570 30 50 FHEA C[C@H](/N=C(/O)N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1 330217931 IXYVZZIGLJECOF-XJKSGUPXSA-N 352.862 3.633 30 50 FHEA COCc1cc(N2CC(Oc3ccc(C#N)cc3)C2)c2cc(F)ccc2n1 2325859634 DQUALAWATFJZDE-UHFFFAOYSA-N 363.392 3.660 30 50 FHEA N#Cc1cc2c(nc1SC[C@H](O)COCc1ccccc1)CCCC2 1141575 TZIVISRGLMCHAC-GOSISDBHSA-N 354.475 3.502 30 50 FHEA CCCCn1cccc(C(=O)/C=C(\C)c2cccn(CCCC)c2=O)c1=O 4957668 MOIBPHOUWNEAAU-WUKNDPDISA-N 368.477 3.896 30 50 FHEA C=C(C)COc1ccc(C(=O)N(CC)Cc2noc(C3CCC3)n2)cc1 55133725 SSZFOCRGFUPLEH-UHFFFAOYSA-N 355.438 3.954 30 50 FHEA Cn1ncc(Br)c1/C=C\C(=O)c1ccc(OC(F)F)cc1 6925451 MGXJPFJAUXQPES-SREVYHEPSA-N 357.154 3.680 30 50 FHEA Cc1nc(O)c(C#N)cc1C(=O)N1CCCC[C@H]1CCc1cccs1 77522945 BTOUGDXXYOCMGP-HNNXBMFYSA-N 355.463 3.656 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc(OC)ccc2OC)cc1 1295045 UNLXYALPORZJNC-YBFXNURJSA-N 370.434 3.516 30 50 FHEA Cc1cccc(/N=C2/NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1C 1744889 VQFZFDGGHYQGPQ-MSUUIHNZSA-N 363.442 3.542 30 50 FHEA aggregator N#CCCC[C@H](NC(=O)NCCc1cc(C2CC2)on1)c1ccccc1 2325791740 CJVSCLMJCFCTFX-SFHVURJKSA-N 352.438 3.829 30 50 FHEA CCOc1ccccc1N/C=C/C(=O)c1cc(OC)c(OC)c(OC)c1 1151864 FDMYDQQEFLMHSD-ZHACJKMWSA-N 357.406 3.920 30 50 FHEA C(=N/N1CCN(c2ccccn2)CC1)\c1ccc(OCc2ccccc2)cc1 100575206 CSMUIIHZLFOIRP-XIEYBQDHSA-N 372.472 3.817 30 50 FHEA Cc1cc(C)n2ncc(-c3c(C)c(-c4ccccc4)nc(N)c3C#N)c2n1 67855812 DYTCHNQJWOJDIB-UHFFFAOYSA-N 354.417 3.837 30 50 FHEA CN(C)N1C(=O)C[C@@H](c2ccccc2C(F)(F)F)C2=C1CCCC2=O 1422727 RELQGJUOWFPFFO-LBPRGKRZSA-N 352.356 3.505 30 50 FHEA CC[C@H](C)n1ncc(N=C(O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1C1CC1 328939859 SCBZWDGQMJVZHG-QILLFSRXSA-N 359.518 3.693 30 50 FHEA Cc1noc(C)c1N=C(O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 329940399 UKYKHWAMDSUZSG-OAQYLSRUSA-N 368.481 3.825 30 50 FHEA Cc1ccc2[nH]c3nc(N/N=C/c4cc(Cl)ccc4O)nnc3c2c1 5009626 ABNAILCTTKYZPK-UFWORHAWSA-N 352.785 3.620 30 50 FHEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccccn1 5650335 QLJLIVYQJAOJAV-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA N#C[C@@H](c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1 16052771 RCYPVQCPYKNSTG-HNNXBMFYSA-N 372.457 3.791 30 50 FHEA in-vitro COc1ccc(NC(=S)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2506343 BLJISOUQLVGPCW-RQZCQDPDSA-N 364.814 3.577 30 50 FHEA CCC1(CC)[C@H](NC(=O)c2cccc(C#N)c2Br)C[C@H]1OC 332499677 ZYHNXVVDNWHQOT-ZIAGYGMSSA-N 365.271 3.644 30 50 FHEA Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 696059 AKMKGSBWOLMTFY-UHFFFAOYSA-N 355.488 3.934 30 50 FHEA aggregator CCN1Cc2ccccc2C[C@H]1C(=O)N1CCC(C#N)(c2ccccc2)CC1 823118812 HOBYXZOLUKTKNY-QFIPXVFZSA-N 373.500 3.517 30 50 FHEA COc1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c1OC 1302385 DMUWFAAHBNHWFJ-VXLYETTFSA-N 374.853 3.787 30 50 FHEA COc1ccc(-c2csc(NC(=O)c3ccncc3)c2C#N)cc1OC 13328735 OLUVOPUIADYEFZ-UHFFFAOYSA-N 365.414 3.951 30 50 FHEA C=CCN(Cc1ccc(F)cc1)C(=O)[C@H]1COc2c(cccc2OC)C1 55415003 KSQFHMTWVKIVJA-QGZVFWFLSA-N 355.409 3.600 30 50 FHEA Cn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2C#N)o1 65371680 LYJOPLHUTMPJSS-HNNXBMFYSA-N 358.401 3.903 30 50 FHEA CC(C)Cc1cc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)on1 827801564 VDBGRCXOEPHKHK-UHFFFAOYSA-N 352.434 3.696 30 50 FHEA O=C1c2ccccc2N[C@H](c2ccccc2O)N1/N=C/c1ccccc1O 849522 AGTQNRSMKCRTKH-BOURKTIISA-N 359.385 3.698 30 50 FHEA COc1ccc(C(=O)[C@H]2CCCN(CC#Cc3ccccc3)C2)cc1OC 55344269 OUYIWMCNHRBWGN-FQEVSTJZSA-N 363.457 3.650 30 50 FHEA N#Cc1c(-c2cccc(OCCO)c2)cc(-c2c[nH]c3ccccc23)nc1N 71765570 HIIZKVUWFXRBFF-UHFFFAOYSA-N 370.412 3.722 30 50 FHEA N#Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCN(C4CCCC4)C3)cc2)cn1 426477676 DRESUKXCCIPZTF-QGZVFWFLSA-N 374.488 3.615 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C/C(=N\NC(N)=S)CC[C@@]43C)[C@@H]1CC[C@H]2O 257372902 YSALUCJHTGLMGQ-GTEAJTHRSA-N 363.571 3.579 30 50 FHEA COc1ccccc1N1CCN(/N=C/c2ccccc2Br)CC1 1193175 MOZZWGGKJFQSBG-XSFVSMFZSA-N 374.282 3.614 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(F)cc2)cc1OC 1475974 VXJXYJASGOLPQE-VXLYETTFSA-N 358.398 3.646 30 50 FHEA CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 4936646 LVXXONBAVQJPQM-GOSISDBHSA-N 361.438 3.569 30 50 FHEA O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cccc(C(=O)O)c1 5866806 YDLJPHPKRGHXSO-NTEUORMPSA-N 358.806 3.930 30 50 FHEA O/C(=N/[C@@H]1CCCc2occc21)[C@H](c1cccc(F)c1)N1CCOCC1 329630047 VGVPXMZSHBWJAI-MJGOQNOKSA-N 358.413 3.826 30 50 FHEA O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 6819559 AQCIFOFDWHJUTD-RHSMWYFYSA-N 351.377 3.536 30 50 FHEA N#Cc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 77394468 PVCKMEYMCYLCLI-KRWDZBQOSA-N 359.389 3.977 30 50 FHEA COC(=O)c1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)cc1 239173705 OMDRTGMBVJSFJV-UHFFFAOYSA-N 372.837 3.556 30 50 FHEA C=CCOc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1CC=C 820505585 CVPVUIVVYAHUQD-UHFFFAOYSA-N 363.505 3.693 30 50 FHEA CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 5445555 HPXDBAHIKCHFLK-HNNXBMFYSA-N 372.218 3.657 30 50 FHEA C=CCn1c(=N)n(C[C@@H](O)c2ccc(Br)cc2)c2ccccc21 19771426 DCSHSQDXWATQAH-QGZVFWFLSA-N 372.266 3.604 30 50 FHEA O=C1C=C(c2ccccc2)C[C@@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1 1056517 YEFOINVAAQTTLT-HKUYNNGSSA-N 360.373 3.568 30 50 FHEA C=CCN(Cc1ccco1)C(=O)CCC(=O)Nc1ccccc1SC 65469435 FJUZMLBUYICAAR-UHFFFAOYSA-N 358.463 3.935 30 50 FHEA C#CCCC1(CCC(=O)N=c2ccn(Cc3cccc4ccccc34)[nH]2)N=N1 1875382245 VSUGYYFEEDPTAM-UHFFFAOYSA-N 371.444 3.801 30 50 FHEA CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@H]1c1ccc(Cl)cc1 22034602 HNEPUTKSLWHTHS-LBPRGKRZSA-N 361.854 3.503 30 50 FHEA COCCCn1nccc1[C@H]1OCC[C@@H]1C(O)=Nc1ccc(C)cc1C 328604237 JCKQECWGAPMYPB-LPHOPBHVSA-N 357.454 3.902 30 50 FHEA CN(Cc1nccs1)[C@H]1CC12CCN(CC#Cc1ccc(F)cc1)CC2 374856598 PAQGGTSZTKKRFN-IBGZPJMESA-N 369.509 3.620 30 50 FHEA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1ccc(C#N)cc1)CC2 426359992 UDYZNIUAIRDVSP-RZUBCFFCSA-N 363.461 3.544 30 50 FHEA C=C(C)COc1ccc(NC(=O)N(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 299767881 XLCAWAOAMUOBCM-INIZCTEOSA-N 373.497 3.752 30 50 FHEA COc1cc(/C=N/n2cnnc2)ccc1OCc1cccc2ccccc12 1185691 CRGSMAITGXOILE-WYMPLXKRSA-N 358.401 3.901 30 50 FHEA CCOc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19879391 ZBNNJEMILRYIFS-PXLXIMEGSA-N 357.885 3.890 30 50 FHEA CCc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)o1 331880414 WCJPOQLXDJKRCL-HNNXBMFYSA-N 364.854 3.893 30 50 FHEA COC(=O)c1cccc(CN2CCc3ccc(OC)cc3[C@@H](C)C2)c1C#N 2325706089 IQYMLQODGBHWSD-HNNXBMFYSA-N 364.445 3.515 30 50 FHEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccc(Cl)cc2)cc1 6876068 IEQNRIGHTGMJRE-YBFXNURJSA-N 373.869 3.864 30 50 FHEA C=CCN(CC#Cc1ccccc1)C(=O)c1ccc([C@H]2CCCN2)s1 55384426 KUAFMEFVQVKNIO-GOSISDBHSA-N 350.487 3.853 30 50 FHEA C=CCn1c(N/N=C\c2c(O)ccc3ccccc23)nc2ccccc2c1=O 39942876 DOXJAKNJEYPOAF-UCQKPKSFSA-N 370.412 3.887 30 50 FHEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 19638443 DZDOZMRCAIHYNJ-GOSISDBHSA-N 370.405 3.514 30 50 FHEA NCC#Cc1ccc(-c2nc(-c3cscc3Br)no2)cc1 2325857710 MNABNKNIYFICNA-UHFFFAOYSA-N 360.236 3.538 30 50 FHEA C=CCc1ccccc1OCCn1c(CCCNC=O)nc2ccccc21 4809830 OMDSGVLCGPJMHF-UHFFFAOYSA-N 363.461 3.522 30 50 FHEA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4913906 NZADYMNDCSKBCT-GXTWGEPZSA-N 368.414 3.661 30 50 FHEA CN(C)C(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 33815022 TYYVMWTWMVOKBB-CTNGQTDRSA-N 351.402 3.749 30 50 FHEA CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc23)CCCC1=O 1076663 ZSWPDWYBEXZWRU-UHFFFAOYSA-N 368.477 3.993 30 50 FHEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C12CC2 105206400 KEACPEUKFIOBCY-FYDAHDHTSA-N 361.228 3.525 30 50 FHEA C=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2nccn2CC)cn1 65488199 ZPTWOTNDMNYUSF-UHFFFAOYSA-N 358.449 3.864 30 50 FHEA C[C@H]1CCC[C@@H](C)N1C/C(N)=N\O[C@H](C)c1ncc(-c2ccccc2)o1 253428215 INJPYFITTQUGEO-OWCLPIDISA-N 356.470 3.954 30 50 FHEA N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5030325 JGIQIDKZTQPDGV-UHFFFAOYSA-N 368.176 3.573 30 50 FHEA C=CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C1=S 1129408 NKEVTGXYYSJFOQ-UYAOXDASSA-N 373.481 3.797 30 50 FHEA biogenic Cc1ccc(NN=C(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)cc1 2960841 RYMNPNQHJUGQIZ-UHFFFAOYSA-N 374.396 3.974 30 50 FHEA Cc1nn(C)c(C)c1/C=C/C(=O)c1ccc(I)cc1 4652016 WVPHGZGIMDCTOO-CMDGGOBGSA-N 366.202 3.538 30 50 FHEA COC/C=C/C(O)=N/CCC(O)=Nc1cc(Br)ccc1C 328594440 KEBRQVOGUMVRDE-ONEGZZNKSA-N 355.232 3.895 30 50 FHEA O/C(=N/[C@H]1CCCN(c2ccccc2)C1)c1coc(C2CCOCC2)n1 328774991 FBHBQNDYWGENQU-INIZCTEOSA-N 355.438 3.542 30 50 FHEA CC[C@H](/N=C(/O)N1CCN(C(C)=O)C2(CCCCC2)C1)c1ccccc1 328948801 BXKCBUPNQAEOSO-IBGZPJMESA-N 357.498 3.919 30 50 FHEA COc1cccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)c1 3176697 YYXOCQAQLBNZGI-UHFFFAOYSA-N 363.442 3.535 30 50 FHEA CSc1nc(CN2CCc3[nH]nc(C4CCCC4)c3C2)ccc1C#N 20995378 PBCVHDXJWYJRAI-UHFFFAOYSA-N 353.495 3.614 30 50 FHEA O=C(C/N=C(/O)NC1CCCCC1)N1CCC[C@H]1/C=C/c1ccccc1 329346926 ROJGYJBWGYWUAD-KQDNUWKFSA-N 355.482 3.527 30 50 FHEA COC(=O)/C=C1\CC[C@@H]2[C@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257358073 RMDJMPHXGCYQJX-UHTSNGGFSA-N 374.452 3.745 30 50 FHEA C=CCC1(OCc2ccccc2)CCN(C(=O)c2cc(C)nc(C)n2)CC1 952862825 QTAZJVDBTZAMDY-UHFFFAOYSA-N 365.477 3.861 30 50 FHEA C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)CC(C)(C)SC2 2350065 FSTHPPUKNSBDSH-UHFFFAOYSA-N 370.565 3.965 30 50 FHEA C#CCCC1(CCNC(=O)c2nc(-c3ccc(Cl)cc3)[nH]c2CC)N=N1 2325887400 NWJOARIATWOAKR-UHFFFAOYSA-N 369.856 3.988 30 50 FHEA CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 2306530 GVYUAJWHAXPHER-INIZCTEOSA-N 365.481 3.534 30 50 FHEA C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccn1 2544573 CIZLISYVEOAIPR-UHFFFAOYSA-N 354.410 3.640 30 50 FHEA CCOC(=O)c1sc(NC(=O)c2cccc(C)c2OC)c(C#N)c1C 4870400 KVWODKCSEJJHNA-UHFFFAOYSA-N 358.419 3.674 30 50 FHEA N/N=C1\c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 100033662 QBGMRRUHCFHZLC-YXQDFNCHSA-N 354.409 3.563 30 50 FHEA C=CC[C@H]1N(C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CCCC1(C)C 225512178 KDICHCQSNUMJJM-WOJBJXKFSA-N 372.509 3.856 30 50 FHEA CC[C@H](C)N(CC#Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 63848945 YBGLBNSGBQJUNZ-SFHVURJKSA-N 355.503 3.742 30 50 FHEA C[C@H](O/N=C(/N)CN1[C@H](C)CCC[C@H]1C)c1ncc(-c2ccccc2)o1 253428210 INJPYFITTQUGEO-OAGGEKHMSA-N 356.470 3.954 30 50 FHEA COc1cc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)ccc1OC(C)=O 1478512 QNLDZPSAJWBOTF-YBFXNURJSA-N 374.466 3.804 30 50 FHEA CN(C)c1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19773334 VEPHHCHIGHJTPK-PXLXIMEGSA-N 356.901 3.558 30 50 FHEA N#CCCN1CCN(C(=S)c2ccc(-c3cccc(Cl)c3)o2)CC1 19956085 LPEFEKJCIUQBRO-UHFFFAOYSA-N 359.882 3.807 30 50 FHEA N#CC1(C2CCCC2)CCN(C(=O)[C@H]2CCNc3ccccc3C2)CC1 2325805158 UNUPALJDQPETPQ-SFHVURJKSA-N 351.494 3.983 30 50 FHEA C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1 1156176 SHZQYFDCCREPGL-UHFFFAOYSA-N 354.410 3.640 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc(F)c1 19848528 TZVJWDMIPZXXJR-SFHVURJKSA-N 363.388 3.957 30 50 FHEA Fc1ccc(Cc2nnc(S)n2/N=C/c2cccc3cc[nH]c23)cc1 2325703554 BSPBKRQLOAWKTJ-SRZZPIQSSA-N 351.410 3.660 30 50 FHEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccs1 6697621 RDKLPBFQQOOXFD-UHFFFAOYSA-N 355.419 3.635 30 50 FHEA C[C@H]1CC[C@@](C#N)(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C1 101172618 QMTTTYCGJUXRGP-KSFYIVLOSA-N 359.429 3.928 30 50 FHEA Cc1c(S(=O)(=O)Nc2ccccc2C#N)cnn1-c1ccccc1Cl 152713271 RXDZKLFKXBGZFO-UHFFFAOYSA-N 372.837 3.507 30 50 FHEA CC1(C)C[C@@H](/N=C(/O)N[C@H]2c3ccccc3C[C@H]2O)c2ccc(F)cc2O1 330155947 YNJQLAHZSZJPIO-LMMKCTJWSA-N 370.424 3.590 30 50 FHEA O=S(=O)(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccccc1 13108687 NMHUJRNAZBKVGE-UNOMPAQXSA-N 360.822 3.912 30 50 FHEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccc2ccccc2c1 82167222 DYBDMBWBENLYDP-KRWDZBQOSA-N 355.441 3.949 30 50 FHEA C=CCNC(=O)c1sc2ncnc(NCCc3ccccc3F)c2c1C 12123217 HYIDIGZTMKVCOU-UHFFFAOYSA-N 370.453 3.709 30 50 FHEA Cc1cc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)ncn1 12000683 QSZUKFLLRYJFRS-LLVKDONJSA-N 358.492 3.716 30 50 FHEA Cc1cc(C)c(C#N)c(-c2cccc(C(=O)N3CC(N4CCCCC4)C3)c2)n1 426429712 DPSFAYSSAHJMHT-UHFFFAOYSA-N 374.488 3.547 30 50 FHEA C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C)O1 13153417 JOHLRDQAOQGMSI-GASCZTMLSA-N 352.459 3.959 30 50 FHEA C=CCC[C@H](C(=O)N[C@@H](C)CNC(=O)C(C)(C)CC=C)c1ccccc1 1875295463 YUQMTUAFSAAOOP-HKUYNNGSSA-N 356.510 3.960 30 50 FHEA O/C(=N/[C@@H]1CCOC2(CCOCC2)C1)c1scnc1C1CCCC1 329498514 GVGIRHLRJMONBG-CQSZACIVSA-N 350.484 3.834 30 50 FHEA COc1cccc([C@H]2CN(Cc3ccccc3C#N)[C@@H]3C4CCN(CC4)[C@H]23)c1 72167761 WSWGEUBYCNJCQH-WXFUMESZSA-N 373.500 3.629 30 50 FHEA C=CCn1c(SCc2ccc(OC)cn2)nc2sc(C)c(C)c2c1=O 170595581 UUZJTOZZXMBOPN-UHFFFAOYSA-N 373.503 3.957 30 50 FHEA Cc1ccc2c(c1)nc(CCNc1nc(C(F)(F)F)ccc1C#N)n2C 170631901 HWBYSYTUTDRNIS-UHFFFAOYSA-N 359.355 3.822 30 50 FHEA CCOc1ccc(-c2cs/c(=N\N=C\c3ccc4c(c3)OCO4)[nH]2)cc1 5247676 HAYINKSVDDHUGF-KEBDBYFISA-N 367.430 3.805 30 50 FHEA C#CCCC1(CCC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)N=N1 952880269 DQJRQSJZGUBECW-OAHLLOKOSA-N 358.873 3.638 30 50 FHEA C=C(C)C(=O)O[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CC(O)(C(F)(F)F)C(F)(F)F 103624100 VRGGMPGFYAQUIC-XWLWVQCSSA-N 360.294 3.766 30 50 FHEA N#CC1(C#N)[C@H](c2ccco2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]21 13510284 IBMRZRRRACSWAL-ZCNNSNEGSA-N 355.397 3.660 30 50 FHEA Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3cc(C#N)cs3)c12 887973612 ISNOIDKJGQZGSJ-UHFFFAOYSA-N 352.419 3.614 30 50 FHEA C#CCCC1(CCC(=O)NCC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)N=N1 2325886381 UHDHWGYZEGQANP-UYAOXDASSA-N 366.509 3.759 30 50 FHEA COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 4915479 YVQQDLFGTUXOPL-QAPCUYQASA-N 365.404 3.839 30 50 FHEA C[C@@H]1OB(c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)OC1(C)C 255187201 BWEZMKJQLLOWFK-HNNXBMFYSA-N 373.302 3.710 30 50 FHEA N#Cc1c(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)sc2c1CCCCCC2 102233394 SNDXLDVKDKFFHO-MWDDYTRKSA-N 352.459 3.590 30 50 FHEA CC(=O)N1CCc2nc(N)c(C#N)c(-c3ccccc3-c3ccc(C)o3)c2C1 72166667 RDPSHNUVVNGBMG-UHFFFAOYSA-N 372.428 3.676 30 50 FHEA C=CCc1cc(CN2C[C@H](O)[C@H](Cc3cc(C)no3)C2)ccc1OC(C)C 1529115066 XYJKDTGIQCDLHR-CTNGQTDRSA-N 370.493 3.534 30 50 FHEA COc1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1OC 1189942 LAXLCTCMHRQYLM-KGENOOAVSA-N 359.857 3.513 30 50 FHEA O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)c1 5768446 SWIBKIWANKLUHB-RQZCQDPDSA-N 359.798 3.678 30 50 FHEA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1nc2c(cc1C#N)CCC2 2325708730 MBEBYSBAMAJSCG-LSBZLQRGSA-N 355.482 3.858 30 50 FHEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C(=O)OCC)CC2)c1 1140854 RGRQBVRKYITGNW-UHFFFAOYSA-N 358.482 3.940 30 50 FHEA CC1(C)C=C2C(=C(O)C[C@H](c3ccccc3[N+](=O)[O-])C2(C#N)C#N)C(=O)C1 1199498 UJMXCUQYKIJLLL-CYBMUJFWSA-N 363.373 3.853 30 50 FHEA COc1ccc(/C=C/c2nc(C#N)c(NCc3ccco3)o2)cc1OC 4838024 ZKXIQAVPNHEDBO-SOFGYWHQSA-N 351.362 3.939 30 50 FHEA OC(=Nc1nc2c(s1)CCCCC2)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 329790461 TWMRDDWJZNJYSZ-ZBFHGGJFSA-N 361.511 3.991 30 50 FHEA N#Cc1cc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)ccc1F 232314118 OTKGPHGCERYPJO-UHFFFAOYSA-N 364.760 3.871 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=NNC(N)=S)CC[C@@]43C)[C@@H]1CC[C@H]2O 253534079 YSALUCJHTGLMGQ-DNXLOVSSSA-N 363.571 3.579 30 50 FHEA biogenic N#Cc1ncc(C(F)(F)F)cc1-n1cc(C(F)(F)F)cc(Cl)c1=O 261494785 GPDGSZHSOGPOPA-UHFFFAOYSA-N 367.636 3.795 30 50 FHEA N#Cc1ccc(N2CCC[C@@H](Sc3ccc([N+](=O)[O-])cc3F)C2=O)cc1 170610387 GOGHCVDIQYXUNR-QGZVFWFLSA-N 371.393 3.893 30 50 FHEA C=CCNc1sc(C(=O)c2ccc(Br)s2)c(N)c1C#N 2266576 LQDMSIRJQBCAGP-UHFFFAOYSA-N 368.281 3.855 30 50 FHEA N#Cc1sc(N=C(O)/C=C/c2ccc(C(=O)NC3CC3)cc2)nc1Cl 328595002 IFFIPECFRMIJKU-FPYGCLRLSA-N 372.837 3.862 30 50 FHEA COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 4915963 MTQALQBWUDTCSZ-UKRRQHHQSA-N 353.443 3.761 30 50 FHEA COc1cccc2c1OCCCN(Cc1ccc(C#CC(C)(C)O)s1)C2 215158561 HKUXSXJCDVHHFE-UHFFFAOYSA-N 371.502 3.664 30 50 FHEA N#Cc1ccccc1CN1CCC(c2nccn2Cc2cscn2)CC1 91973893 ANSHFIHFQVHOSI-UHFFFAOYSA-N 363.490 3.639 30 50 FHEA COc1ccc([C@@H]2C[C@H]([C@@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 252428123 QRSLYQPONMQITO-RFZJPIJTSA-N 370.445 3.510 30 50 FHEA C#CCCC1(CCC(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)N=N1 2325892657 VYNFQVPNVVRPSP-GOSISDBHSA-N 358.530 3.845 30 50 FHEA C=C(C)C(=O)O[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CC(O)(C(F)(F)F)C(F)(F)F 103624102 VRGGMPGFYAQUIC-NAKRPEOUSA-N 360.294 3.766 30 50 FHEA CC[C@H](C)n1ncc(N=C(O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1C1CC1 328939861 SCBZWDGQMJVZHG-ZVZYQTTQSA-N 359.518 3.693 30 50 FHEA N#Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cn1 299774406 CWLUNXWPMVSIHY-LJQANCHMSA-N 368.868 3.564 30 50 FHEA COc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1OC 16677831 DGRXTLONKAMYOY-HYARGMPZSA-N 373.884 3.509 30 50 FHEA N#CCCC[C@H](NC(=O)C[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 2325780816 RGVWHDDCUAPOTP-OALUTQOASA-N 361.445 3.739 30 50 FHEA CCCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 95523505 XCRHMMUGPIQUJG-QGZVFWFLSA-N 351.454 3.966 30 50 FHEA CN(C)/C=C/C=C/C=C/C(=O)[C@H]1CCC/C(=C\C=C\C=C\N(C)C)C1=O 19338278 RAYDTQZBAVKYMJ-HJBSRRPRSA-N 354.494 3.670 30 50 FHEA N#Cc1cccc(NCC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 126145094 FDKLVECIESGNTD-UHFFFAOYSA-N 369.852 3.694 30 50 FHEA C#CCCC1(CCC(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)N=N1 952879974 ILBXXKKRYHFCHR-GUDVDZBRSA-N 351.450 3.863 30 50 FHEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(C)cc1 7720222 ZNKCIPCDLVWOJS-UHFFFAOYSA-N 363.417 3.882 30 50 FHEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@H]2CCc3ccc(OC)cc32)cn1 330349991 KOIICYSEQCNBQJ-YSIASYRMSA-N 369.465 3.818 30 50 FHEA CC(C)c1ccc(C#N)c(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)n1 426727548 VHHYXDLTKKWUQV-LJQANCHMSA-N 374.488 3.719 30 50 FHEA O=C1OCCN(Cc2ccccc2)[C@H]1C/C(O)=N/c1cccc(Cl)c1 12652924 NSHVXXAPIQADHQ-KRWDZBQOSA-N 358.825 3.746 30 50 FHEA COc1ccc(Cl)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1F 71479702 HGDVIEZTLSJKLR-TVQRCGJNSA-N 372.831 3.695 30 50 FHEA C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc2c(c1)CCC(=O)N2 285758479 SCPYSTSFZAZTSC-INIZCTEOSA-N 374.488 3.763 30 50 FHEA COc1ccc(C(=O)/C=C/c2ccc3c(c2)sc(=O)n3C)c(OC)c1 170612959 NHJWWVZIEWCMTJ-WEVVVXLNSA-N 355.415 3.513 30 50 FHEA COc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1N 841263256 AHXJAJWJUTVPAL-FUHWJXTLSA-N 350.422 3.581 30 50 FHEA N#Cc1cccc(C2(NC(=O)C[C@@H]3CC(=O)Nc4ccccc43)CCC2)c1 2325764017 LTZYUGCZULRGBW-INIZCTEOSA-N 359.429 3.570 30 50 FHEA C#CC1CC(NC(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1 2325827907 UBTLPIGBOPGTKH-XEXHBRLRSA-N 361.283 3.796 30 50 FHEA O=C(C[C@@]1(O)OC(c2ccc(Cl)cc2)=CC1=O)c1ccc(Cl)cc1 752151 UBSRQGFUSLVLTG-GOSISDBHSA-N 363.196 3.895 30 50 FHEA CC1(C)CC(=O)C(Sc2ccc([N+](=O)[O-])cc2)=C(N2CCOCC2)C1 2584115 FPHLZEGQLBFCNN-UHFFFAOYSA-N 362.451 3.620 30 50 FHEA C=CCOc1ccc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 2902349 ZBNWRHIOMGTZMC-AQTBWJFISA-N 366.442 3.522 30 50 FHEA CC(C)c1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=S)cc1 19798585 IJKDJLBQSBSZGM-WSDLNYQXSA-N 363.490 3.830 30 50 FHEA O/C(=N/Cc1ccnc(OC2CCOCC2)c1)N[C@@H]1C[C@@H]1C1CCCCC1 329802959 KVSCONCGJWEBSI-RTBURBONSA-N 373.497 3.612 30 50 FHEA C#CCCC1(CCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)N=N1 952881345 LKAHGTOKMSIMSV-UHFFFAOYSA-N 372.900 3.776 30 50 FHEA CCOc1ccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 4839404 SMAADTHPXFACRX-FSQQNCNXSA-N 353.422 3.729 30 50 FHEA C=CCC(O)(CC=C)[C@H](C)n1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 102147413 OEOCVNCZRFIDHX-HNNXBMFYSA-N 369.417 3.783 30 50 FHEA CCNc1ncc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)cn1 67643473 OAMPCMCCCRQGME-UHFFFAOYSA-N 350.813 3.745 30 50 FHEA CCc1nn(C(=O)OC(C)(C)C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 169992544 MRRVZVMFWXCFIQ-UHFFFAOYSA-N 372.274 3.681 30 50 FHEA in-vitro COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 5016575 ZKYRYELHPFTZTI-SOFGYWHQSA-N 358.390 3.626 30 50 FHEA biogenic C=CCn1c(SCC(=O)c2ccc(F)c(C)c2)nnc1-c1ccncc1 5067938 IFZRBCNVKOFMEW-UHFFFAOYSA-N 368.437 3.949 30 50 FHEA Cc1ccc(-n2nc(-c3ccc(C#N)cc3)n[n+]2-c2ccc(C)cc2)cc1 2528033 YVBAOTIWXAYBDX-UHFFFAOYSA-N 352.421 3.700 30 50 FHEA CCn1ccnc1Cn1ccc(-c2cccc(-c3ncccc3C#N)c2)n1 20868814 HDOPZXLYCXFHEC-UHFFFAOYSA-N 354.417 3.748 30 50 FHEA Cc1nc(S(=O)(=O)N(C)c2ccc(Cl)cc2)c(C#N)c(C)c1Cl 6668705 LPIZOFKVNJAYAZ-UHFFFAOYSA-N 370.261 3.702 30 50 FHEA CC1(C)CN(/C(O)=N/[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@H]1c1cccnc1 330270201 SZODEXRKYSNAIA-MHORFTMASA-N 355.482 3.726 30 50 FHEA C=C/C=C/CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O 33844941 VJFUPGQZSXIULQ-VJEUYKMZSA-N 372.461 3.711 30 50 FHEA CC(C)c1nnc([C@H](C)NC(=O)c2ccc(-c3cc(C#N)ccn3)cc2)o1 426504410 CORDWMRJCIHILX-ZDUSSCGKSA-N 361.405 3.618 30 50 FHEA N#Cc1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 636277 ZARJQDOAZVJYNA-UHFFFAOYSA-N 364.206 3.790 30 50 FHEA C=CCN(C(=O)Nc1ccc(OC)cc1)c1nnc(-c2ccncc2)s1 785022 LLCRYZWYWUOEOG-UHFFFAOYSA-N 367.434 3.833 30 50 FHEA NC1CC(C#CC(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)C1 2325800687 BKTLNOAUDQOAKV-SKMDKRRUSA-N 370.905 3.616 30 50 FHEA Cc1ccc(NC(=O)CNc2oc(-c3cccs3)nc2C#N)cc1C 1857799709 VGSLMHFXMGCNKY-UHFFFAOYSA-N 352.419 3.942 30 50 FHEA C=CCN(Cc1ccc(F)cc1)C(=O)c1ccc(CCN2CCCC2)nc1 55342508 RMLWTAMWAPLRCK-UHFFFAOYSA-N 367.468 3.687 30 50 FHEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C12CC2 105206405 KEACPEUKFIOBCY-KRECIUNMSA-N 361.228 3.525 30 50 FHEA COc1cccc(C2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)c1 176111326 ZLEKBKDQAUYLQX-UHFFFAOYSA-N 356.372 3.865 30 50 FHEA CC1(C)OB(C2=CCCN(C(=O)OCC[Si](C)(C)C)C2)OC1(C)C 242463492 DCZXHNJTICOFMP-UHFFFAOYSA-N 353.344 3.725 30 50 FHEA C[C@@H]1CCc2c(sc(NC(=O)CN3CCn4cccc4[C@H]3C)c2C#N)C1 252444163 HOZOLXLZYLTADS-ZIAGYGMSSA-N 368.506 3.561 30 50 FHEA COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 5445504 OZHCKTMDKVXHJN-MRXNPFEDSA-N 357.793 3.557 30 50 FHEA C=C(C)CN(CC)C(=O)c1cc(COc2ccc(Cl)cc2OC)on1 12442769 YCFRBWRONVWFEU-UHFFFAOYSA-N 364.829 3.954 30 50 FHEA C=CCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@H]1CCCO1 15072855 FDPKZMWEDPBCRZ-JOCHJYFZSA-N 370.537 3.791 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)cc1 100066748 RPUFWMDMKAQHTF-SFHVURJKSA-N 361.397 3.524 30 50 FHEA N#CCc1ccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc1 4624397 MNWFGDNERWPTAP-UHFFFAOYSA-N 373.441 3.865 30 50 FHEA O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1ccccc1Cl 5764089 FINQRMKFTQTLIS-RQZCQDPDSA-N 359.798 3.678 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 100003565 ZNRTVMJSCJGMGD-VIZOYTHASA-N 365.689 3.511 30 50 FHEA Cc1ccc(N=C(O)[C@@H]2CCO[C@H]2c2ccnn2C)cc1OC(F)F 328646038 ZYLCDGDJIFPTMJ-IUODEOHRSA-N 351.353 3.696 30 50 FHEA CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 254612781 XPJSYVSOPZVTNB-QZLKPZJXSA-N 360.494 3.811 30 50 FHEA C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 2338205 ICCTZJXFYUCIOA-KRWDZBQOSA-N 361.445 3.617 30 50 FHEA CCCCc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)[nH]n1 225449202 AUGHDGFUFGUYDR-UHFFFAOYSA-N 362.437 3.782 30 50 FHEA C=C(C)CN(C)C(=O)c1cc(COc2ccc(Cl)cc2OC)on1 67788410 PVRZQPJUDSQEGT-UHFFFAOYSA-N 350.802 3.564 30 50 FHEA COc1ccccc1[C@H]1CN(Cc2ccccc2C#N)[C@@H]2C3CCN(CC3)[C@H]12 72137419 XZAPZYKWGUDRDP-GMKZXUHWSA-N 373.500 3.629 30 50 FHEA OC(CN1C=C/C(=C2\C=CC=[S+]2)N=C1)=Nc1cccc(C(F)(F)F)c1 328579858 DZHQTMFTEOPMQV-PFONDFGASA-O 364.372 3.817 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 19534976 UEGHFMPNCMSKHD-IBGZPJMESA-N 369.461 3.862 30 50 FHEA CCN(Cc1noc(C2CC2)n1)C(=O)c1cccc(-c2cccc(C#N)n2)c1 426422073 YVOHFSOYYPCGOT-UHFFFAOYSA-N 373.416 3.543 30 50 FHEA COC(=O)c1ccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 6054246 WFCOVAHJMPFINB-YBFXNURJSA-N 352.419 3.585 30 50 FHEA Cc1ccc(S(=O)(=O)/N=C(\Nc2ccccn2)c2ccc(F)cc2)cc1 16319403 JIXUAOBACGLQEY-UHFFFAOYSA-N 369.421 3.777 30 50 FHEA Cc1cc(C#N)ccc1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 118975483 BMJGSASTCATFDM-UHFFFAOYSA-N 354.837 3.956 30 50 FHEA C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccc(F)cc4)cnn23)CC1 21799004 GZXDYGPUAKAJTJ-UHFFFAOYSA-N 365.456 3.542 30 50 FHEA Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(-c2ccc(F)cc2)n1 154724480 WQOLCFUOIGZLPJ-UHFFFAOYSA-N 356.307 3.722 30 50 FHEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(SC)cc2)cc1 239203319 SDCOMVXXKDHLTO-UHFFFAOYSA-N 356.476 3.847 30 50 FHEA C=CCN1CCC[C@H]1C(=O)Nc1cccc(NC(=O)C2CCCC2)c1C 952961186 UQUWOCFGMIXMMB-IBGZPJMESA-N 355.482 3.713 30 50 FHEA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ncc(C#N)cc1Cl 331633249 ZQNXEQRDBQYTQE-INIZCTEOSA-N 355.825 3.599 30 50 FHEA CC#CC[C@@H](C)[C@@H](O)/C=C/[C@@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 21982946 HIFJCPQKFCZDDL-RSZAQHQASA-N 360.494 3.541 30 50 FHEA in-vitro N#Cc1c(N)nc2c(c1-c1ccc([C@H]3CCCO3)s1)N1CCC2CC1 101882806 IHTIZEZPPAONER-CYBMUJFWSA-N 352.463 3.813 30 50 FHEA Cc1nn(C)c(C)c1[C@H](/N=C(/O)c1cc(C(C)(C)C)on1)C(F)(F)F 331198688 TXOYAFGZMBQDKD-ZDUSSCGKSA-N 358.364 3.931 30 50 FHEA C[C@]12C=CC(=NOCC(=O)O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 253533793 RLZYCYTZQGHRMD-AAPKDCIVSA-N 373.493 3.933 30 50 FHEA biogenic COc1ccc2ncc(S(=O)(=O)c3ccc(C#N)cc3)c(Cl)c2c1 263616982 LLTKORBSLKCMPQ-UHFFFAOYSA-N 358.806 3.601 30 50 FHEA COc1ccc(-c2nnc(S)n2/N=C/c2ccc(C)s2)cc1OC 1476004 FYSRTLYWHLCOHO-RQZCQDPDSA-N 360.464 3.503 30 50 FHEA COC(=O)c1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 12689965 OERKMHKTHMNFNV-LSHDLFTRSA-N 366.446 3.803 30 50 FHEA C=CCSC1=N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)S1 3001820 ARXYVYJRLUXTKZ-XFFZJAGNSA-N 351.449 3.602 30 50 FHEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)s1 1217709 WZZIIJUCNTZIMQ-XNTDXEJSSA-N 373.297 3.522 30 50 FHEA CCCc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnn(C)c1 71774858 RQKOWXHOBGIMER-CYBMUJFWSA-N 353.470 3.561 30 50 FHEA COc1cc(/C=N/O)cc(Br)c1OCc1ccc(F)cc1 16195510 XYURKKSGVYRMOP-QGMBQPNBSA-N 354.175 3.984 30 50 FHEA CC1=C(C(=O)/C=C/c2cc(Cl)c(O)cc2Cl)[C@@H](C)N2NN=NC2=N1 806560814 QXZWMXXTONGNNK-MPJRPATESA-N 366.208 3.501 30 50 FHEA O=C1C[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914753 SICBPJSPPOLFLU-BBRMVZONSA-N 353.368 3.969 30 50 FHEA Ic1c(/C=N/C2CCCCC2)ccc2c1OCO2 3051874 BANKLVPEDHQCGY-LZYBPNLTSA-N 357.191 3.772 30 50 FHEA COc1ccccc1C(=O)O/N=C1/CCCc2c1ccc(OC)c2[N+](=O)[O-] 5074246 FEZNMZZCAVNZQH-HKWRFOASSA-N 370.361 3.509 30 50 FHEA COc1cc2c(cc1OC)CN(c1nc3ccccc3c(C)c1C#N)CC2 1857679504 WZWIPBAUCCYTBP-UHFFFAOYSA-N 359.429 3.995 30 50 FHEA C#CCCC1(CCC(=O)N2CCC[C@@]3(CCc4ccccc4O3)C2)N=N1 952879214 BPSNBSLWMUGLBN-HXUWFJFHSA-N 351.450 3.729 30 50 FHEA C#CCCC1(CCC(=O)N2CCc3c(CN4CCCC4)cccc32)N=N1 1875381854 JKWINQQYLNKDEU-UHFFFAOYSA-N 350.466 3.527 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1 677999 VHCBIARSNIAYEU-INIZCTEOSA-N 372.218 3.938 30 50 FHEA CC#CC[C@@H](C)C(=O)/C=C/[C@H]1[C@@H](O)C[C@H]2C/C(=C\CCCC(=O)O)C[C@H]12 64859025 LDICATDQJSBQOX-XYOIATKBSA-N 358.478 3.750 30 50 FHEA in-vitro CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H](C#N)c2cccc(Br)c2)C1 279773049 KJVGIOIIBGMPIO-WQVCFCJDSA-N 365.271 3.725 30 50 FHEA O/C(=N/[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 328849718 YWWRFWQKPIFMHY-LELZANKISA-N 366.436 3.576 30 50 FHEA Cc1nc2cc(N=C(O)N3CCC[C@@H](Oc4ncccc4F)C3)ccc2o1 330162968 AOXQPUHULNLPAN-CQSZACIVSA-N 370.384 3.759 30 50 FHEA CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 4681657 YUEISTHTGGNRTR-SFHVURJKSA-N 354.406 3.788 30 50 FHEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 6813212 FETPHJXQGCNRQX-IBGZPJMESA-N 365.429 3.528 30 50 FHEA C/C(=N/Nc1ccc(C)cc1)[C@]1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-] 5091075 KKLBOCLKUIMOKW-QIYXJHPLSA-N 356.426 3.575 30 50 FHEA C#CCCC1(CCC(=O)NCC2(N(C)Cc3ccccc3)CCC2)N=N1 2325892743 ZUFFNTFZSYPOEI-UHFFFAOYSA-N 352.482 3.513 30 50 FHEA C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2ccccc2c1=O 784847 MHXGVAOSVWBLOY-UHFFFAOYSA-N 350.443 3.866 30 50 FHEA CC(C)(C)c1nc(/C(O)=N/CC2(N3CCCCC3)CCOCC2)cs1 329516664 YVTQHGWABNISGB-UHFFFAOYSA-N 365.543 3.780 30 50 FHEA N#Cc1nn(CC(=O)N(Cc2ccco2)c2ccccc2)c2ccccc12 170594232 KVJFXSSWVMMIRU-UHFFFAOYSA-N 356.385 3.734 30 50 FHEA COc1cccc(C#N)c1OCc1ccccc1I 4827700 YRUAGFXNWXGKMU-UHFFFAOYSA-N 365.170 3.750 30 50 FHEA CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2C/C(=C\CCCC(=O)O)C[C@H]12 64858024 HIFJCPQKFCZDDL-RZZJCQOISA-N 360.494 3.541 30 50 FHEA in-vitro CCOc1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)ccc1O 15658563 NHDKWVPPTYJAPH-STZFKDTASA-N 359.857 3.600 30 50 FHEA COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1O 19973807 UKHPKNFTSUIRKB-UHFFFAOYSA-N 373.836 3.755 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)N=N1 952881361 LRHOCFJLBZUQNO-GJZGRUSLSA-N 372.444 3.734 30 50 FHEA CC(=O)Nc1ccc([C@@H]2C3=C(CCCC3=O)O[C@@H]3CCCC(=O)[C@@H]32)cc1 4867343 FSGGLVGJQVCFIE-HOJAQTOUSA-N 353.418 3.504 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H](C)Oc1ccccc1 7759367 OHSSEQUWWOZFDX-MRXNPFEDSA-N 363.417 3.719 30 50 FHEA CCOC(=O)/C=C/c1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 170004494 WXWRGJMUYWWXSL-JXMROGBWSA-N 370.176 3.581 30 50 FHEA Cn1c(C/N=C(/O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)nc2ccccc21 328604662 KTBMSESBZPMSSP-QVKFZJNVSA-N 365.408 3.909 30 50 FHEA Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2/C(O)=N/CCN2CC=CCC2)c1 330020310 ADKMORHYYNXEBI-HXUWFJFHSA-N 369.509 3.517 30 50 FHEA C=CCN1C(=O)[C@@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 2062686 SGLAWCKYTLMZBX-QEVSYEORSA-N 359.425 3.636 30 50 FHEA COc1ccc(C/N=C(/S)NCc2ccc(Cl)cc2)cc1OC 1120587 PQOIANZRFSDJSS-UHFFFAOYSA-N 350.871 3.933 30 50 FHEA Cc1cccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2[N+](=O)[O-])c1 2232982 LZCZGJWYJHRGKW-QJEBJFPOSA-N 365.418 3.998 30 50 FHEA C=CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 12435581 FZMLYUWUURIXDZ-SFHVURJKSA-N 365.433 3.770 30 50 FHEA COc1ccnc(Cn2ccc(-c3cccc(-c4ncccc4C#N)c3)n2)c1 19147634 IUZMPPPCXCFYTJ-UHFFFAOYSA-N 367.412 3.936 30 50 FHEA C/C(=N/OCO/N=C(\C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 4776584 XKMDRLSRYKKHMY-MGYAYREDSA-N 372.337 3.642 30 50 FHEA O=C1c2c(F)c(F)c(F)c(F)c2C(=O)c2c(F)c(F)c(F)c(F)c21 100085685 JHJWVVOLGHMBPQ-UHFFFAOYSA-N 352.136 3.575 30 50 FHEA COC(=O)c1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1 6003848 OMDRTGMBVJSFJV-VXLYETTFSA-N 372.837 3.556 30 50 FHEA Cc1c(N/C=C2\Sc3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C 100549235 QEKQZAKEWROYJW-ATVHPVEESA-N 363.442 3.726 30 50 FHEA COc1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc(Cl)c1O 71763194 DXRSIQDUHHOLHV-UHFFFAOYSA-N 354.797 3.576 30 50 FHEA C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1cccc(C#N)c1 170645017 KIXAKDDDIWQURG-ORAYPTAESA-N 371.387 3.681 30 50 FHEA COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1 15723722 FVZRWFFFQHNCRW-ATVHPVEESA-N 353.447 3.653 30 50 FHEA CC(=O)O[C@H]1CC[C@@]2(/C=N/O)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 1857743073 JIIVOVFNPCJNDJ-FCQRGIHNSA-N 359.466 3.890 30 50 FHEA CCn1cc([C@@H]2OCCC[C@H]2CN[C@@H](C)c2ccc(C#N)c(F)c2)cn1 886079978 HJBJQKJKCBBISI-GZRFBZBPSA-N 356.445 3.732 30 50 FHEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc([C@@H]2CCCO2)s1 71738870 XIGILWXZOSRBQM-AWEZNQCLSA-N 365.462 3.824 30 50 FHEA C=CCc1cc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)ccc1OC(C)C 1529154123 HLDWSHIJBLOSQY-YADHBBJMSA-N 366.505 3.633 30 50 FHEA C=CCN1C(=O)[C@@H](Cc2cccc(Cl)c2)S/C1=N/N=C/c1ccco1 5047927 SFUUXISYGXLKHO-ZEOVRSRCSA-N 373.865 3.996 30 50 FHEA COc1ccccc1NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1857778041 TXTKPXSTSCAMJM-UHFFFAOYSA-N 368.242 3.638 30 50 FHEA CN(C)CCCOc1ccccc1-c1cc(-c2ccco2)nc(N)c1C#N 67714459 PLWGYUJUIBMHSX-UHFFFAOYSA-N 362.433 3.793 30 50 FHEA Oc1ccc(C=Nn2c(-c3ccccc3)nnc2-c2ccccc2)c(O)c1 239038710 DSHPDJICQFVRQK-UHFFFAOYSA-N 356.385 3.906 30 50 FHEA O=C(Nc1cccc(Br)c1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@@H]3[C@H]12 254518135 XNPGYHSGWLDFRE-PHBQDPKESA-N 364.239 3.810 30 50 FHEA CC1(C)OB(c2cc(Br)cc(Br)c2)OC1(C)C 169993792 WJYKUCWENIHKOC-UHFFFAOYSA-N 361.870 3.511 30 50 FHEA in-vitro C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 170645027 HUONGEBEEDDCOV-AUUYWEPGSA-N 353.397 3.541 30 50 FHEA C[C@@H](Nc1nccnc1C#N)c1nc(-c2ccc(Br)cc2)c[nH]1 170616199 HPQROVYBUFNNCK-SNVBAGLBSA-N 369.226 3.674 30 50 FHEA OC(=Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccccn2)C1)C1CCCC1 329514413 CUTRQIQDXFJEHK-MRXNPFEDSA-N 353.470 3.963 30 50 FHEA COc1ccc(/C(C)=N\N=C2/NC(=O)[C@H](Cc3ccc(C)cc3)S2)cc1 15659936 KSRPXQBWLYPLBL-GFHXCNCHSA-N 367.474 3.558 30 50 FHEA Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(CC#N)cc3)sc21 20617063 HARHHFAEXDBBBO-UHFFFAOYSA-N 364.352 3.972 30 50 FHEA CCCCn1ccnc1[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 95523506 XCRHMMUGPIQUJG-KRWDZBQOSA-N 351.454 3.966 30 50 FHEA O=C1Oc2ccccc2C(=O)/C1=C\NCc1csc(-c2ccccc2)n1 828327497 XZOBRFSSEJFCDL-LFIBNONCSA-N 362.410 3.586 30 50 FHEA C=CCN1C[C@H](C)N(C(=O)c2ccc(-c3ccc(F)cc3O)cc2)C[C@@H]1C 1565510781 XACZOFIPBLMMSQ-HOTGVXAUSA-N 368.452 3.919 30 50 FHEA C=C(C)COc1ccc(NC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1 97743407 JAQHXWWEKMAHSF-UHFFFAOYSA-N 371.481 3.508 30 50 FHEA CC(C)O[C@H](C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccccc1 1875366724 CYZIVCUMWWCNIY-ROUUACIJSA-N 373.302 3.847 30 50 FHEA CC(C)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)OCc1ccccc1 2325744291 JNKSAGUNYXJWDC-SFHVURJKSA-N 370.836 3.709 30 50 FHEA COc1ccccc1C/C(N)=N/OC(=O)c1ccc(Cl)cc1Cl 4723504 BDLRAMDHYZZZOS-UHFFFAOYSA-N 353.205 3.674 30 50 FHEA COc1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)ccc1O 67787647 JJLYYZWJAVERNL-CQSZACIVSA-N 367.449 3.898 30 50 FHEA C=CCn1cc(CN(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 20539879 HIVOEPOMQHCLDI-HXUWFJFHSA-N 356.489 3.613 30 50 FHEA CSc1ccc([N+](=O)[O-])c(C(O)=Nc2ccc3c(c2)OCCN3C)c1 328589986 SBUOPXQMDVGSLI-UHFFFAOYSA-N 359.407 3.782 30 50 FHEA COCCn1cc2c(n1)[C@H](N/C(O)=N/CC1(C)CCCCCC1)CCC2 329812452 DDPXORIZKDSXIH-QGZVFWFLSA-N 362.518 3.771 30 50 FHEA Cc1ccc(C#N)c(NCc2cc3n(n2)CCCN(C2CCCCC2)C3)n1 82108162 BQMQEQUXRPEAHS-UHFFFAOYSA-N 364.497 3.609 30 50 FHEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccccn1 240824851 QLJLIVYQJAOJAV-UHFFFAOYSA-N 350.234 3.818 30 50 FHEA CC1CC(C#N)(C(=O)N2CC(C)(C)[C@H]2c2nccn2-c2ccc(F)cc2)C1 952891005 RNETULIXJGBFDG-CXJKMVGQSA-N 366.440 3.861 30 50 FHEA Cc1nc(O)c(C#N)cc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71765263 BRPVVJHQHZABAO-MRXNPFEDSA-N 367.424 3.591 30 50 FHEA N#Cc1ccc(CN2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 95378820 XXVMJSFILQVQDK-YTFSRNRJSA-N 361.464 3.760 30 50 FHEA COc1cccc2c(B3OC(C)(C)C(C)(C)O3)cn(C(=O)OC(C)(C)C)c12 169746299 GXVNJKPEAWTIRL-UHFFFAOYSA-N 373.258 3.732 30 50 FHEA in-vitro N#C[C@H](NC(=O)[C@H]1CCN(c2ccccc2F)C1)c1ccc(Cl)cc1 464403687 KWRJUHHKYYPCEJ-YOEHRIQHSA-N 357.816 3.686 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C)cc1 7721030 URMXDDDTPCIRHA-UHFFFAOYSA-N 363.417 3.639 30 50 FHEA Cc1csc(Cn2ccc(-c3cccc(-c4nccnc4C#N)c3)n2)n1 20232564 FXRYUUJFOLTFTR-UHFFFAOYSA-N 358.430 3.692 30 50 FHEA Cc1noc(C)c1N=C(O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 329940395 UKYKHWAMDSUZSG-NRFANRHFSA-N 368.481 3.825 30 50 FHEA Cc1ccc([C@@H]2C[C@@H](C)N(S(=O)(=O)Cc3cccc(C#N)c3)C2)cc1 332653484 KRRKXGZIFKRFDI-OXQOHEQNSA-N 354.475 3.575 30 50 FHEA N#Cc1cc(S(=O)(=O)c2cnc3c(F)cccc3c2Cl)ccc1F 232314112 OHGTTYSTIPPVQG-UHFFFAOYSA-N 364.760 3.871 30 50 FHEA C=CC[C@H](C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 245311324 NLZCBGJMOFLKPE-YRWFTTLQSA-N 350.462 3.934 30 50 FHEA c1ccc([C@@H]2O[C@]23CCC[C@]2(O[C@H]2c2ccccc2)C32OCCO2)cc1 257357793 PWNONDAOOROMHQ-UWHLTILDSA-N 350.414 3.934 30 50 FHEA Cc1noc([C@@H]2CCCCN2C(=O)CC2=C(c3ccccc3)CCC2=O)n1 825300873 PQYNMURTZKLUBR-SFHVURJKSA-N 365.433 3.638 30 50 FHEA C=CCc1ccc(OCCCCn2cnc3ccccc3c2=O)c(OC)c1 2863114 IBSGPNGKQLBWNI-UHFFFAOYSA-N 364.445 3.993 30 50 FHEA CCNc1ncc(-c2cc(-c3c[nH]c4ccccc34)nc(N)c2C#N)cn1 71754563 YDQAOTLXQFIRHM-UHFFFAOYSA-N 355.405 3.573 30 50 FHEA Cc1ccc([C@H]2CN(C(=O)c3cccc(C#N)c3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72153156 ROHGSJHUVVZBTL-DNVJHFABSA-N 371.484 3.569 30 50 FHEA Cc1nc(N)sc1-c1cc(-c2cccc(OC(F)F)c2)c(C#N)c(N)n1 71416190 ABGQBRXNOVBMCW-UHFFFAOYSA-N 373.388 3.818 30 50 FHEA N#Cc1ccc(C(=O)N2CCC3(CCC(N4CC=CCC4)CC3)CC2)cc1 71278699 LRASUSKOKSSWCL-UHFFFAOYSA-N 363.505 3.985 30 50 FHEA N#Cc1ccc(Oc2ccc(I)cc2)c([N+](=O)[O-])c1 1170759 VNOYTYSKQVOZAB-UHFFFAOYSA-N 366.114 3.863 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)[C@@H](C)n1cnc2ccccc2c1=O 55071612 ORARGDJOJMVMBL-OAHLLOKOSA-N 367.474 3.542 30 50 FHEA CN(C)N1C(=O)C[C@H](c2cccc(Cl)c2Cl)C2=C1CCCC2=O 1422732 FVZWOCJFKWGCJQ-LLVKDONJSA-N 353.249 3.793 30 50 FHEA Oc1ccccc1-c1nc(CO/N=C(/c2ccccc2)C(F)(F)F)no1 1875264374 FEDLPHFMSLAXHN-HAHDFKILSA-N 363.295 3.925 30 50 FHEA Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 663277 BQEDBGGALJJCBD-UHFFFAOYSA-N 368.487 3.723 30 50 FHEA C[C@@H]1CCCC[C@H]1OCC/N=C(/O)N1CCC(Cc2cccnc2)CC1 329119770 PJGWSQWBMVHFGQ-YLJYHZDGSA-N 359.514 3.845 30 50 FHEA Cc1c(/N=C/c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 823381 MZGCMMZCZNUQPC-UDWIEESQSA-N 370.250 3.998 30 50 FHEA CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 5918436 RJWVYLPZBXLUSL-HXUWFJFHSA-N 359.429 3.688 30 50 FHEA COc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc(OC)c1OC 1473758 PRHSDRCFESSFSM-YBFXNURJSA-N 370.434 3.516 30 50 FHEA O=C(C1CCC(/N=C(/O)C2CC2)CC1)N(C[C@H]1CCCO1)C1CCCC1 330036491 YGZZXXPXJGIVLX-FAFZWHIHSA-N 362.514 3.862 30 50 FHEA CC[C@H](/N=C(/O)N1CC[C@H](C)[C@@H]1CO)c1cc(F)cc(Br)c1 331302624 XIIQLBOLYBBYQP-LKTVYLICSA-N 373.266 3.656 30 50 FHEA C=CCn1c(=O)c(CN2CCN(c3ccccc3)CC2)cc2cc(C)ccc21 20906461 UNTRWDXXJPAUSB-UHFFFAOYSA-N 373.500 3.818 30 50 FHEA Oc1nc(N/N=C\c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 31843542 SPPRTTIKODPYQA-FBHDLOMBSA-N 359.311 3.709 30 50 FHEA CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1 13571916 HXXNBXJQFGTMLM-HKOYGPOVSA-N 364.537 3.993 30 50 FHEA N#Cc1ccc(Cl)cc1N(CC1CC1)C(=O)C(F)(F)c1cnccn1 2325806525 JNISHWINVQRWPP-UHFFFAOYSA-N 362.767 3.537 30 50 FHEA N#Cc1cc(C(F)(F)F)cc(Sc2nccn2Cc2ccccn2)n1 1472691916 CUEHKCGKSUNMHY-UHFFFAOYSA-N 361.352 3.763 30 50 FHEA CCCn1cc(-c2cc(-c3cnc(C(C)C)nc3)c(C#N)c(N)n2)c(C)n1 71758776 MBDUZDNWEMIAKF-UHFFFAOYSA-N 361.453 3.698 30 50 FHEA CC(C)c1ccc(C#N)c(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1 426727547 VHHYXDLTKKWUQV-IBGZPJMESA-N 374.488 3.719 30 50 FHEA CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cccc(C#N)c1)CC2 95366514 DPLVEVYHFFKHKB-NRFANRHFSA-N 359.473 3.539 30 50 FHEA N#Cc1ccc(NC(=O)CCCN2CCC(c3cccc(O)c3)CC2)cc1 299762209 MBCMKQJMRPVQLN-UHFFFAOYSA-N 363.461 3.862 30 50 FHEA N#Cc1cc2c(nc1N1CCC(O)(Cc3cccc(F)c3)CC1)CCCC2 302267259 RCQLCAWRWXLJAP-UHFFFAOYSA-N 365.452 3.545 30 50 FHEA C=CCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]c1=S 5486918 VSWGXVBHKDNHEM-QMMMGPOBSA-N 357.266 3.924 30 50 FHEA COc1cccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2OC)c1 5932595 RJKVFXNCZSUTPF-XCHVBMRISA-N 366.446 3.798 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H]2CC[C@H]3CCN(Cc4ccccc4)[C@H]32)N=N1 2325891775 NHEDAJYLIPQEFL-QKNQBKEWSA-N 364.493 3.511 30 50 FHEA C[C@H]1CCc2c(sc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2C#N)C1 2872597 CBGYOEMMEKGXRN-NSHDSACASA-N 355.419 3.834 30 50 FHEA C#Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc(OC)cc3C)C2)c1 12314651 YIYVIZAEOFTSEZ-IBGZPJMESA-N 361.441 3.720 30 50 FHEA Cc1ccc(C#N)c(N2CCC[C@H](C(O)=Nc3ccc4nc[nH]c4c3)C2)n1 329895451 BXOKWEHIVMZQAC-HNNXBMFYSA-N 360.421 3.643 30 50 FHEA C[C@@]12OC(=N)[C@@](C#N)([C@@H](c3ccccc3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 139366998 MYHXPTPDSAEKDZ-GXKRZCMTSA-N 368.396 3.809 30 50 FHEA CCN(C)C1(CNC(=O)c2ccc(-c3cccnc3C#N)cc2)CCCC1 426395096 ATYZRRIEUSEFLQ-UHFFFAOYSA-N 362.477 3.615 30 50 FHEA C[C@H]1OB(c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)OC1(C)C 255187202 BWEZMKJQLLOWFK-OAHLLOKOSA-N 373.302 3.710 30 50 FHEA C[C@H](NC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 170645021 HUONGEBEEDDCOV-LIRRHRJNSA-N 353.397 3.541 30 50 FHEA Cc1c(/N=C/c2ccccc2Br)c(=O)n(-c2ccccc2)n1C 1107474 SMUCIGNHIUVYNN-UDWIEESQSA-N 370.250 3.998 30 50 FHEA CC#CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 12314523 PBLXDEILEVXURZ-HXUWFJFHSA-N 360.457 3.862 30 50 FHEA C=CC(=O)N1CCCc2cc(C(=O)N[C@H](C)c3cccc(C#N)c3)ccc21 2325889766 RWUKWQOXEBOSEE-OAHLLOKOSA-N 359.429 3.514 30 50 FHEA Cc1c(CN2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cc(C#N)n1C 72479763 FHLBLBQSFOVSSN-JOCHJYFZSA-N 350.510 3.994 30 50 FHEA C[C@@H](/N=C(/O)[C@@H]1CCO[C@H]1c1ccnn1C)c1cccc(N2CCCC2)c1 328635445 UTMOAMOXZVRCTM-XFQXTVEOSA-N 368.481 3.816 30 50 FHEA COC(=O)O[C@@H]1C=CC(=O)[C@@H](C2c3ccccc3CCc3ccccc32)O1 71769414 SBYGZTOCAMEYRE-CTNGQTDRSA-N 364.397 3.550 30 50 FHEA Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 241383525 MWALMTJKXYVLMQ-IXDOHACOSA-N 355.482 3.683 30 50 FHEA COC(=O)NCc1cc(/C(C)=N\OCc2cccc(C)n2)ccc1Cl 43065336 CRFYLQMIDWBKRT-XKZIYDEJSA-N 361.829 3.840 30 50 FHEA CCOC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C=O)[C@@H]3CC[C@]12C 254702241 TUNNPNUOPZXPEB-NVLJRBADSA-N 358.478 3.877 30 50 FHEA N#Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cn1 299774403 CWLUNXWPMVSIHY-IBGZPJMESA-N 368.868 3.564 30 50 FHEA CC(C)c1cccc2c1CCN(S(=O)(=O)Cc1cccc(C#N)c1)C2 188668088 UHJFZYJJFREJRJ-UHFFFAOYSA-N 354.475 3.570 30 50 FHEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccco1)c1ccc(F)cc1 5409213 AVDNOPLQNQRYKG-KRWDZBQOSA-N 367.332 3.790 30 50 FHEA N#Cc1cc2c(nc1SC[C@@H](O)COCc1ccccc1)CCCC2 1141574 TZIVISRGLMCHAC-SFHVURJKSA-N 354.475 3.502 30 50 FHEA O=C1/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)Oc2c(Cl)ccc(Cl)c21 299738148 BSYBLDQLDFKAAN-WZUFQYTHSA-N 368.128 3.929 30 50 FHEA C=CC[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)OCC 170594731 FSQISKOYJMEOFU-AWEZNQCLSA-N 351.855 3.721 30 50 FHEA C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C 758795 DGLRODIYJFCRGX-JYRVWZFOSA-N 352.217 3.852 30 50 FHEA C=C(C)CN(CC)Cc1cccc(OC[C@H](O)CN2CCCCCC2)c1 11998785 PEEMVUOJFJNDBC-OAQYLSRUSA-N 360.542 3.700 30 50 FHEA COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1ccccc1 5648649 GXMQVHBXYDODHC-YBFXNURJSA-N 354.435 3.719 30 50 FHEA C[C@@H]1Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N1C(=O)OC(C)(C)C 1857786446 OTBRHFQIDNRETG-CYBMUJFWSA-N 359.275 3.672 30 50 FHEA N#Cc1nc2ccccc2n1Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 6659177 RSHDOSMQPRWFBD-UHFFFAOYSA-N 361.386 3.988 30 50 FHEA CCc1nsc(N2CCCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)n1 252484129 FPDUQWHWSARHBU-HNNXBMFYSA-N 361.902 3.531 30 50 FHEA COc1cccc(-n2cc(-c3cc(-c4ccoc4)c(C#N)c(N)n3)cn2)c1 71759302 LBZXXBYOSBTLCE-UHFFFAOYSA-N 357.373 3.657 30 50 FHEA Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1CC12CC3CC(CC(C3)C1)C2 223866771 XNIJJGBXXBCFFI-UHFFFAOYSA-N 356.319 3.707 30 50 FHEA O=c1c(/C=N/NC(=S)NC2CCCCC2)coc2ccc(Cl)cc12 4229884 RNJPSNHMXWMCDA-DJKKODMXSA-N 363.870 3.577 30 50 FHEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccccc2C)cc1 6876124 QOGKDCVEUOZSEX-XDHOZWIPSA-N 353.451 3.519 30 50 FHEA C=CCOc1ccc(CN[C@@H](C)c2cn3ncsc3n2)cc1CC=C 55119291 HKDNIJXHXKXMMB-AWEZNQCLSA-N 354.479 3.935 30 50 FHEA Cc1cc(C)n2ncc(-c3c(C)c(-c4cccs4)nc(N)c3C#N)c2n1 67842538 UCRCBZBJECBQIQ-UHFFFAOYSA-N 360.446 3.899 30 50 FHEA O=C(C1CCCCC1)N1CC[C@H](/N=C(/O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)C1 329993666 YOMRRHPWOLXMHH-PWVBSWHQSA-N 373.541 3.592 30 50 FHEA Cc1nn(C)c(C)c1-c1cc(-c2cccc3cnccc23)c(C#N)c(N)n1 71440061 WJYQQBVOIJZZPW-UHFFFAOYSA-N 354.417 3.768 30 50 FHEA O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc(Br)cc1 230141537 QJYBWBZTSHVRKV-AWQFTUOYSA-N 367.206 3.523 30 50 FHEA C[C@@]12OC(=N)[C@@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1ccccc1)O2 103000144 SECSTAJUVLINRG-XHYAQGIWSA-N 368.396 3.809 30 50 FHEA CC(C)(C)c1ccc(C(=O)CCCN2CCn3nc(C#N)cc3C2)cc1 670456864 DGIYZOHEWMWDDW-UHFFFAOYSA-N 350.466 3.531 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc(C[C@H]3CCCN(C)C3)c2)N=N1 2325886400 VTPVOQNEUZQTGL-GOSISDBHSA-N 352.482 3.865 30 50 FHEA C=C[C@@H]1OCC[C@H]1NC(=O)c1oc2ccc(Br)cc2c1C 331755433 HMFCFBUAQNYWLH-OLZOCXBDSA-N 350.212 3.577 30 50 FHEA N#Cc1ccc([C@@H](O)CN2CC=C(c3cncc4ccccc34)CC2)cc1 372145627 CODUVSWPTBSODB-QHCPKHFHSA-N 355.441 3.929 30 50 FHEA CN1C(=O)/C(=N\Nc2ccc(Cl)c3ccccc23)c2ccccc2C1=O 100912379 DNTPGMCXHAXBCS-NKFKGCMQSA-N 363.804 3.922 30 50 FHEA O=C(Nc1ccccc1)C(=NNc1ccccc1)C(=O)Nc1ccccc1 1203164 XTRHRIBVFUEDJC-UHFFFAOYSA-N 358.401 3.732 30 50 FHEA CCCCCC/C=C\CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 64859369 NNIVINPZTHXZNK-ZEVQVBBLSA-N 351.487 3.854 30 50 FHEA in-vitro CC(C)(O)C#Cc1ccc(-c2c(-c3ccccc3)ncn2CCCO)cc1 65451118 AJBOMJRCOMIIHH-UHFFFAOYSA-N 360.457 3.722 30 50 FHEA CC(C)=C1Oc2c(ccc(O)c2CN2CCO[C@@H](c3ccccc3)C2)C1=O 218070893 UGMHFFMCEMNSFA-LJQANCHMSA-N 365.429 3.835 30 50 FHEA biogenic C#CCCC1(CCC(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)N=N1 952879161 AOEACDIGGPWYOQ-SFHVURJKSA-N 363.465 3.983 30 50 FHEA C=CCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)CCC3 1076802 ABWYLSQDSZMINE-UHFFFAOYSA-N 358.850 3.542 30 50 FHEA CCOc1ccc(-c2cc(-c3cccs3)nc(N)c2C#N)cc1CO 71750139 JORZQUNKXWWHLY-UHFFFAOYSA-N 351.431 3.822 30 50 FHEA O=C1C[C@@H](c2cccnc2)c2c(ccc3c2O/C(=C\c2ccco2)C3=O)O1 253409223 LNYMNCSNEKIYJD-MBBOSUJBSA-N 359.337 3.732 30 50 FHEA biogenic CSc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1241292 QZXSLDFWNCQGMP-WOJGMQOQSA-N 356.476 3.750 30 50 FHEA CCOc1ccc(C[C@@H]2S/C(=N/N=C(\C)c3ccccc3)NC2=O)cc1 5124050 BIROAIKAPQNZLA-OVBDPADQSA-N 367.474 3.640 30 50 FHEA Cc1ccccc1[C@H]1C[C@H](/N=C(/O)N[C@H]2CCO[C@@H]2c2cccnc2)C1 329210043 YSVKJIIWIICXRA-QGZVKYPTSA-N 351.450 3.670 30 50 FHEA CN(C)N1C(=O)C[C@@H](c2cccc(Cl)c2Cl)C2=C1CCCC2=O 1422733 FVZWOCJFKWGCJQ-NSHDSACASA-N 353.249 3.793 30 50 FHEA CC1(C)OB(c2ccc(F)c(NC(=O)Oc3ccccc3)c2)OC1(C)C 238791225 GRJNGIIBZSOFPX-UHFFFAOYSA-N 357.190 3.736 30 50 FHEA Cc1ccc2c(C(=O)N3CCC[C@H](C#N)C3)cc(-c3cnn(C)c3)nc2c1C 23232260 BEUZPJBKZOJTAV-MRXNPFEDSA-N 373.460 3.628 30 50 FHEA CCOC(=O)c1ccccc1N/C=C/C(=O)c1ccc(OC)c(OC)c1 662319 WPRGSJPMZXBWID-VAWYXSNFSA-N 355.390 3.689 30 50 FHEA C=CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 12384527 MYUQKRYPFNWZRZ-UHFFFAOYSA-N 361.536 3.636 30 50 FHEA CC[C@@H](C)n1nc(C(=O)Nc2nc3cc(C#N)ccc3n2CC)cc1C 479473377 JQPVBMGXDJUFNI-GFCCVEGCSA-N 350.426 3.656 30 50 FHEA COc1ccc(-c2csc(NC(=O)c3cccnc3)c2C#N)cc1OC 1052112 SJMXELCYFVWOTD-UHFFFAOYSA-N 365.414 3.951 30 50 FHEA O=C1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)Oc2c(Br)cccc21 299738320 UWKVTDHXSFBVBP-QPEQYQDCSA-N 362.135 3.679 30 50 FHEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 17251966 XLZZRLOOWPEZAX-QGZVFWFLSA-N 371.820 3.565 30 50 FHEA C[C@@H]1CCC[C@](C#N)(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C1 126206303 BAJIGTLSQNJEEY-QRQCRPRQSA-N 361.445 3.886 30 50 FHEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 1004131 GPZUPCHYJZBVQV-UHFFFAOYSA-N 370.474 3.610 30 50 FHEA COc1cc(OC)c(-c2cc(C3CCCC3)nc(N)c2C#N)cc1OC 71776536 WAYNATATRQLMEL-UHFFFAOYSA-N 353.422 3.886 30 50 FHEA CC(C)(O)C#Cc1ccc(CN2CCC([C@@H](O)c3cccs3)CC2)cc1 952965008 BCBZJVFMGVDWKL-OAQYLSRUSA-N 369.530 3.816 30 50 FHEA CC/N=C(/S)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 13518904 UXNIRSLJTHESJA-UHFFFAOYSA-N 354.519 3.940 30 50 FHEA O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c1 5428741 KNCDLUMHIZRQAR-RQZCQDPDSA-N 359.798 3.678 30 50 FHEA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1/C(O)=N/[C@H](C)CC1CCCCC1 329373336 JWKGIFNSROSMHQ-NXWXRZEISA-N 352.519 3.775 30 50 FHEA O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4914112 AFZFNIMBAMPYFQ-JSGCOSHPSA-N 368.414 3.661 30 50 FHEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/CC=C(C)C 328602741 CRWLNDUFQJCHHD-KXBFYZLASA-N 355.438 3.881 30 50 FHEA CCCc1ccc(S(=O)(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 17075575 KZUNXRPOUSZSGS-STZFKDTASA-N 368.458 3.810 30 50 FHEA Brc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 19879307 RXTBFFWCGVIGEM-XSFVSMFZSA-N 358.283 3.601 30 50 FHEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3ccc(Cl)cc3)o2)cc1 1857799691 UHHWPVBCKFDWSX-UHFFFAOYSA-N 373.821 3.976 30 50 FHEA Cc1ccccc1OCCn1c(C)c(/C=N/n2cnnc2)c2ccccc21 2978061 ONQOCKDDKMBMFB-ZMOGYAJESA-N 359.433 3.811 30 50 FHEA Cc1ccc(C(=O)O/N=C(\N)c2ccc(Br)cc2)c(Cl)c1 4755365 CZUSQIKPUZQTSS-UHFFFAOYSA-N 367.630 3.888 30 50 FHEA O/C(=N/CCc1nc2c(s1)CCCC2)N1CCOC[C@@H]1c1ccccc1 329022435 IHVYSDSKIHRMMX-QGZVFWFLSA-N 371.506 3.552 30 50 FHEA O/C(=N/CCc1nnnn1-c1ccccc1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329126845 YRWNOKTUSLOGPN-CGTJXYLNSA-N 353.470 3.768 30 50 FHEA O/C(=N/[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@@H]1CCn2ccnc2C1 329354168 VGVNWOZUUXKNPX-RHSMWYFYSA-N 353.470 3.791 30 50 FHEA C=C(C)CN(CC)C(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1 12092789 KMSIUKVNXQGUFY-UHFFFAOYSA-N 372.421 3.503 30 50 FHEA CN1C(=O)C[C@@H](C/N=C(/O)C(C)(C)C)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 328604292 JGRAQNZRTDGTDP-SCLBCKFNSA-N 372.444 3.533 30 50 FHEA CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 2306531 GVYUAJWHAXPHER-MRXNPFEDSA-N 365.481 3.534 30 50 FHEA Cc1ccc(CN2CCN(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 19882203 PPSVWPVMRLUHQD-FYJGNVAPSA-N 372.856 3.708 30 50 FHEA C#CCCC1(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)N=N1 952880979 JIAXOPRHTUDFRE-GOSISDBHSA-N 372.900 3.949 30 50 FHEA C#CCCC1(CCC(=O)NCC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)N=N1 2325886378 UHDHWGYZEGQANP-AZUAARDMSA-N 366.509 3.759 30 50 FHEA C#CCOc1cc(Br)c(CNC2CCCC2)cc1OCC 2861553 DYFGUXVFLVRCIL-UHFFFAOYSA-N 352.272 3.892 30 50 FHEA Cc1nn(C)cc1-c1cc(-c2ccc([C@H](C)N(C)C)cc2)c(C#N)c(N)n1 71715203 BSXQIXHWNRKMJN-AWEZNQCLSA-N 360.465 3.534 30 50 FHEA CCn1cc([C@@H]2OCCC[C@H]2CN[C@H](C)c2ccc(C#N)c(F)c2)cn1 886079976 HJBJQKJKCBBISI-CFLQYTFWSA-N 356.445 3.732 30 50 FHEA Cc1ccc(CC(=O)O/N=C(\N)Cc2ccc(Cl)cc2Cl)cc1 4986370 PXCWNFQUUFUVHY-UHFFFAOYSA-N 351.233 3.902 30 50 FHEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(F)c2)cc1 6819616 YZIKUPLKYXFVGO-YJBOKZPZSA-N 365.404 3.839 30 50 FHEA CC[C@@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O 95351777 CTTKTCKPTWQXNK-NXDJFEHLSA-N 374.487 3.725 30 50 FHEA CN(CCC#N)c1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl 301746023 XPWQMRJXNHBXOD-UHFFFAOYSA-N 357.628 3.543 30 50 FHEA C=C(C)COc1cccc(CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c1 55107867 SSAWOGYLHKUBDG-IBGZPJMESA-N 356.510 3.864 30 50 FHEA C=CCN(Cc1cccc(OC)c1)C(=O)C[C@@H]1C(=O)Nc2cc(C)ccc21 101204076 PGFWKOYLVBBGPR-IBGZPJMESA-N 364.445 3.644 30 50 FHEA CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 197449911 AWETUPVLWRHMIY-UHFFFAOYSA-N 353.655 3.986 30 50 FHEA C[C@H](c1nc2ccccc2[nH]1)n1cc(-c2ccc(C#CC(C)(C)O)cc2)nn1 91745345 NDFWKLFLKDYDFT-OAHLLOKOSA-N 371.444 3.553 30 50 FHEA CCCCCCCCCCCc1nccn1CCc1nc(N)nc(N)n1 79409004 QZDGTFKTHGKXEP-UHFFFAOYSA-N 359.522 3.549 30 50 FHEA in-vitro COc1ccc(C(=O)CSc2nc3c(cc2C#N)CCCC3)cc1OC 1125956 WEQQDAFXPVNLAE-UHFFFAOYSA-N 368.458 3.824 30 50 FHEA N#Cc1c([C@H]2CCOC2)cc(-c2ccc(F)cc2C(F)(F)F)nc1N 71750973 WEYRZTNCKUYHEP-VIFPVBQESA-N 351.303 3.864 30 50 FHEA C[C@@H](c1cccc(C#N)c1)N1CCC(NC(=O)NC2CCCCC2)CC1 187145781 MNGYVDRKAHQYDS-INIZCTEOSA-N 354.498 3.716 30 50 FHEA O=[N+]([O-])c1ccc(/C=N/c2ccc(I)cc2)cc1 970347 UPTYSJVCCLVCPK-OQLLNIDSSA-N 352.131 3.950 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)N=N1 2325892919 QKWXEGGVKVXCFZ-UHFFFAOYSA-N 358.405 3.919 30 50 FHEA COc1ccc(Br)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1 4739381 XCAAAQPFPHICAK-CXUHLZMHSA-N 350.172 3.812 30 50 FHEA Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 170623799 NZMNWFBZSHYNBL-UHFFFAOYSA-N 368.437 3.579 30 50 FHEA CC[C@H](/N=C(/O)c1sc(-c2ccc(F)cc2)nc1C)C(OC)OC 328596195 WOUZJDGISQSJBN-ZDUSSCGKSA-N 352.431 3.960 30 50 FHEA Cc1ccc(/N=C2\NC(=O)C[C@@H](C(=O)Nc3ccc(C)cc3)S2)cc1 1295718 WFXSOXCVZVJCNR-INIZCTEOSA-N 353.447 3.551 30 50 FHEA C#CCOc1cccc(-c2noc([C@H](C)n3ccc(C(F)(F)F)n3)n2)c1 1875331514 KWGIEAQGSBWYGB-NSHDSACASA-N 362.311 3.573 30 50 FHEA CCCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)[C@H](C(=O)OC)C1=O 805837 MBEZIZKGGBBAJC-SFHVURJKSA-N 357.450 3.818 30 50 FHEA Cc1sc(NC(=O)[C@@H](C)n2ncc(Br)c2C)c(C#N)c1C 2781070 ULPFNKCSYFFTFR-SECBINFHSA-N 367.272 3.704 30 50 FHEA C=CCn1cc(-c2cn([C@@H](C)c3nc4c(s3)CCCC4)nn2)c(C)n1 91965018 KCVHFJDOFCFQIK-ZDUSSCGKSA-N 354.483 3.581 30 50 FHEA COc1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc1OC 6055671 AEJIRBXANWFFMU-YBFXNURJSA-N 354.435 3.816 30 50 FHEA C/C(=N\N=C1/NC(=O)[C@H](Cc2cccc(Cl)c2)S1)c1ccccc1 5214326 IKPPKMQPBIEQQV-GKXUUXLPSA-N 357.866 3.894 30 50 FHEA CCO/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 100488376 SDFAJVSJVAGLST-ICFOKQHNSA-N 368.252 3.621 30 50 FHEA Fc1ccc(Br)cc1/C=N/N1CCN(c2ccccc2)CC1 946817 HUHAMCGVFNDYKJ-DEDYPNTBSA-N 362.246 3.744 30 50 FHEA COc1cc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)ccc1O 4678872 FNVGSOFWHKUKOL-LJQANCHMSA-N 373.408 3.702 30 50 FHEA CN(C)Cc1cc(-c2cc(-c3cccs3)nc(N)c2C#N)ccc1O 67920436 COCAHIUFFJUZCO-UHFFFAOYSA-N 350.447 3.698 30 50 FHEA CC1(C)OB(c2cccc(Oc3ccc([N+](=O)[O-])cc3F)c2)OC1(C)C 170006437 CYHQNGRPISSQKK-UHFFFAOYSA-N 359.162 3.825 30 50 FHEA CCOC(=O)C1=C(c2ccccc2)NC(=S)[C@H](C#N)[C@@H]1c1ccccc1 2580691 PZWSRGFTFGHOTK-SJORKVTESA-N 362.454 3.815 30 50 FHEA in-vitro N#Cc1c(-c2ccoc2)cc(-c2cn(CC(=O)O)c3ccccc23)nc1N 71439915 MCGKNOHPWIXHOO-UHFFFAOYSA-N 358.357 3.502 30 50 FHEA Cc1nc(N2CCC[C@H](c3nc(CC(C)C)no3)C2)c(C#N)c(C)c1C 1704314570 UWNVPTZMKAAUBN-INIZCTEOSA-N 353.470 3.844 30 50 FHEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1)c1ccccc1 18114171 XWNUEAIVSCNWEA-HXUWFJFHSA-N 370.408 3.860 30 50 FHEA C(#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 169817509 MGTOFLSIIRHBNT-UHFFFAOYSA-N 360.532 3.748 30 50 FHEA C#CCCC1(CCC(=O)NCc2cccc(Cn3nc(C)cc3C)c2)N=N1 2325892354 KPVCTAZMSZKVLY-UHFFFAOYSA-N 363.465 3.520 30 50 FHEA CCCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)[C@@H](C(=O)OC)C1=O 1234023 SLQTYJXRAVEUFO-GOSISDBHSA-N 373.449 3.519 30 50 FHEA C=CCN(Cc1ccccc1OC)C(=O)c1cc(-c2ccccc2O)n[nH]1 67431950 LDYNEQKVZGNYQR-UHFFFAOYSA-N 363.417 3.619 30 50 FHEA O/C(=N/CCc1ccc2ccccc2n1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 329624485 SLCTXIQGYCLXSL-PMACEKPBSA-N 365.477 3.725 30 50 FHEA N#Cc1c(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)sc2c1CCCCCC2 102608497 SNDXLDVKDKFFHO-IYVPYFHTSA-N 352.459 3.590 30 50 FHEA N#Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)cc1 1875271794 XBKXOGFJBXGSBP-JZXOWHBKSA-N 374.362 3.530 30 50 FHEA N#Cc1ccc(CCOC(=O)c2csc(COc3ccccc3)n2)cc1 2325874497 OTZKDYHGWDLCIR-UHFFFAOYSA-N 364.426 3.993 30 50 FHEA CC(=O)Nc1ccc([C@@H]2C3=C(CCCC3=O)O[C@@H]3CCCC(=O)[C@H]32)cc1 4867346 FSGGLVGJQVCFIE-YZGWKJHDSA-N 353.418 3.504 30 50 FHEA COc1ccc(C[C@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)cc1 4888919 LTNGHDBUBYMIGN-MBTVCVBTSA-N 373.865 3.513 30 50 FHEA CCCOc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 5738380 WIHLJKGBNCHYSS-DEDYPNTBSA-N 368.462 3.817 30 50 FHEA CCCCSc1nc(N)c(C#N)c(C(=O)c2ccc(OC)cc2)c1C#N 257540571 VAOYHVAIWBEINR-UHFFFAOYSA-N 366.446 3.539 30 50 FHEA COc1ccc([C@H]2C[C@H]2c2nc(C#N)c(NCCCn3ccnc3)o2)cc1 1857798883 FDEONPUTGBGWAY-IAGOWNOFSA-N 363.421 3.525 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](Cc2cccc(C)c2)[C@H]2CCCO2)N=N1 2325893135 XMHUGNYSVMCSTF-RTBURBONSA-N 353.466 3.557 30 50 FHEA Cc1ccc([N+](=O)[O-])c(Oc2ccccc2B2OC(C)(C)C(C)(C)O2)c1 170006569 GVXAIOBETGQRHR-UHFFFAOYSA-N 355.199 3.995 30 50 FHEA Cc1[nH]nc2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 1386335 BEOOLTINJRWUPV-QGZVFWFLSA-N 351.406 3.647 30 50 FHEA COc1cccc([C@@H]2CN(Cc3ccccc3C#N)[C@@H]3C4CCN(CC4)[C@H]23)c1 72133619 WSWGEUBYCNJCQH-RBZQAINGSA-N 373.500 3.629 30 50 FHEA CC(C)c1nccn1CCCNC(=O)CC1=C(c2ccccc2)CCC1=O 827801520 PTQATNKZHUWQRF-UHFFFAOYSA-N 365.477 3.720 30 50 FHEA C=CCOc1cccc(C(=O)NC[C@@H]2CC(Cc3cccc(F)c3)=NO2)c1 11967760 XDEBLGZSBYVMDE-FQEVSTJZSA-N 368.408 3.508 30 50 FHEA Cc1ccc(C(=O)OCC#CCSc2nnc(-c3ccccc3)o2)cc1 2261728 KCPBZWOZOWYSEC-UHFFFAOYSA-N 364.426 3.998 30 50 FHEA C=CCc1cc(OC)ccc1OCCCn1cnc2ccccc2c1=O 4845456 HANLVRBZUNCYOV-UHFFFAOYSA-N 350.418 3.603 30 50 FHEA O=C([C@@H]1CCCN(Cc2ccco2)C1)N(CC#Cc1ccccc1)C1CC1 55088349 GIBNZNMZEKYBIA-HXUWFJFHSA-N 362.473 3.534 30 50 FHEA CN1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1ccc(O)c3ccccc13)C2 67921938 FEYBZTRHEFIKBY-KPZWWZAWSA-N 356.429 3.753 30 50 FHEA COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 4914505 RZLMPRHWZONEBB-YJBOKZPZSA-N 365.404 3.839 30 50 FHEA O=[N+]([O-])c1ccccc1/C=N\Nc1ncnc2sc3c(c12)CCCC3 32609438 BBMVALIQDHAFBY-UKWGHVSLSA-N 353.407 3.924 30 50 FHEA C[C@@H](C(O)=Nc1ccc(F)c(F)c1)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 328713083 RWYPDKMIEYLYKG-APHBMKBZSA-N 372.419 3.995 30 50 FHEA CCC[C@@]1(CO)CCCN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 426640604 ZFEYLRRMIHTRGH-JOCHJYFZSA-N 363.461 3.635 30 50 FHEA N#CC1(c2ccccc2)CCN(Cc2cccc(Cn3cccn3)c2)CC1 826688514 VWCZINPSJYCBHU-UHFFFAOYSA-N 356.473 3.989 30 50 FHEA N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCC2CCCCC2)n1 1476401998 SRMDONBGSRTZON-UHFFFAOYSA-N 355.417 3.975 30 50 FHEA C(=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1ccccn1 22078536 ZKFVCFICTZUOGA-PLRJNAJWSA-N 356.473 3.823 30 50 FHEA Cc1ccc(CNC(=O)CCN2CCC(C#N)(c3ccccc3)CC2)cc1 65428013 UBFMJEPDJLSQEE-UHFFFAOYSA-N 361.489 3.559 30 50 FHEA N#Cc1cn(Cc2ncccc2C(F)(F)F)c2ccc(Cl)cc2c1=O 428064738 ZSUZZWQZLWSUQF-UHFFFAOYSA-N 363.726 3.989 30 50 FHEA COc1ccc(/C(C)=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 19881060 ILIKQSRJWVVDMW-JWGURIENSA-N 357.885 3.890 30 50 FHEA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 4094455 WIOGEZIINGXNPI-HXUWFJFHSA-N 373.449 3.524 30 50 FHEA CCOC(=O)CC(=O)CSc1nc(C)cc(-c2cccs2)c1C#N 2118047 DZGXZCWVRIHHQJ-UHFFFAOYSA-N 360.460 3.605 30 50 FHEA Cc1ccc(CS(=O)(=O)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 170623826 YVAJCKKEWILGCC-UHFFFAOYSA-N 352.415 3.804 30 50 FHEA CC1(C)OB(c2cc(N)c(NC3CCCCC3)c(F)c2F)OC1(C)C 170003623 UGFCISSYUMRYHR-UHFFFAOYSA-N 352.234 3.591 30 50 FHEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC 4915045 VKEFRHLIMAMQGZ-AWEZNQCLSA-N 357.450 3.731 30 50 FHEA COc1ccc(O)cc1-c1cc(-c2cc(F)cc(F)c2)nc(N)c1C#N 71753445 GNJCHDSHPFTKGY-UHFFFAOYSA-N 353.328 3.862 30 50 FHEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 91391205 GOZUXQMYDOZXTL-OAQYLSRUSA-N 356.466 3.560 30 50 FHEA N#C[C@@H](NC(=O)CCc1ccc(F)cc1)c1cccc(Br)c1 127798022 CCKMUWFXMUCMTR-MRXNPFEDSA-N 361.214 3.902 30 50 FHEA O=C1CCCC2=C1C1(CCCCC1)N=C(Nc1nc3ccccc3o1)N2 6492394 AZBGHUMVHJKFOO-UHFFFAOYSA-N 350.422 3.909 30 50 FHEA CC1(C)Cc2c(sc(NC(=O)NCCc3ccccc3)c2C#N)CO1 6719781 RCAVNZKKIAUBPQ-UHFFFAOYSA-N 355.463 3.835 30 50 FHEA C/C(=N\OCC(=O)N1CCCCc2ccccc21)c1ccc2c(c1)OCO2 222096491 MALJYADXSQSLKY-PXLXIMEGSA-N 366.417 3.525 30 50 FHEA C[C@H](/N=C(/O)CN1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2)[C@@H]1C[C@H]2CC[C@H]1C2 328695219 KJMXMRQMWRXVQZ-CNFQODSWSA-N 368.525 3.821 30 50 FHEA COc1ccccc1[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H]2C3CCN(CC3)[C@H]12 72156118 RORJCUQIMACIIZ-QPTUXGOLSA-N 373.500 3.629 30 50 FHEA CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccccc1 13125222 WEFIGTVIYCQERC-HXUWFJFHSA-N 360.417 3.735 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@@H]1c1ccc(Cl)cc1 18157334 QHUXILPJUCCMQE-MRXNPFEDSA-N 371.776 3.527 30 50 FHEA C#CC1CC(NC(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)C1 2325827906 UBTLPIGBOPGTKH-ULNHQPMUSA-N 361.283 3.796 30 50 FHEA C[C@H](Nc1c(C#N)cnc2cnccc12)[C@@H](O)c1c(F)cccc1Cl 2325855110 IKILOWAOAGIDHT-XTZNXHDOSA-N 356.788 3.828 30 50 FHEA COc1cccc(N(C(C)=O)C2=C(Cl)C(=O)c3ccccc3C2=O)c1 1179294 UGBKNFMAJXJGPA-UHFFFAOYSA-N 355.777 3.578 30 50 FHEA CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1F)C(C#N)C#N 1187572 TZPOYSKAFIWLLS-OALUTQOASA-N 367.355 3.556 30 50 FHEA CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC 2239925 UTVZKNKTZDWCES-UHFFFAOYSA-N 366.531 3.676 30 50 FHEA N#CCCn1cc(CNCc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1 2845837 QFBYDFNOLNTEEK-UHFFFAOYSA-N 361.405 3.662 30 50 FHEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1cc(Cl)ccc1Cl 4978571 MCBFUMNAOCVDAU-UHFFFAOYSA-N 368.176 3.573 30 50 FHEA C=C(C)COc1ccc(NC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)cc1 952961605 FIDNGRYPQGVERU-MRXNPFEDSA-N 356.466 3.761 30 50 FHEA Cc1ccc([C@@H]2O[C@@]34CCCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 169294970 PKDKTLASUVQSFI-SQBLYHGDSA-N 360.417 3.894 30 50 FHEA Cc1ccc([C@@]23C[C@@H]2CN(c2c(Br)cncc2C#N)C3)cc1 2325867118 LFOYPIIMHJXJAU-QAPCUYQASA-N 354.251 3.802 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 628447 JIVDNMWILIQLHA-GOSISDBHSA-N 357.425 3.993 30 50 FHEA C=CCNC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 2668433 YBKVKBMTNVJVEC-UHFFFAOYSA-N 358.438 3.934 30 50 FHEA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 4857320 UAHLQBDVTZIETF-DIFFPNOSSA-N 354.431 3.666 30 50 FHEA C=CCn1nnc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 10148887 UKUNPBVCZOHWGO-UHFFFAOYSA-N 364.192 3.678 30 50 FHEA CC(O)=Nc1c(OCc2nnc3n2CCCCC3)n(C)c2c(C)cccc12 329161112 FCZNAROYGHRZJG-UHFFFAOYSA-N 367.453 3.992 30 50 FHEA COc1cccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2C)c1 225569886 IWJKMRUGVZEFGK-UHFFFAOYSA-N 372.494 3.683 30 50 FHEA N#Cc1c(NC(=O)c2cc(-c3ccccc3O)on2)sc2c1CCC2 2465686 MCVFRJOVZVITNY-UHFFFAOYSA-N 351.387 3.721 30 50 FHEA COc1ccc(C(=O)c2c(NC(C)=O)c(C#N)c(C)n2-c2ccccc2)cc1 3880360 RJMMVQPDEVACPN-UHFFFAOYSA-N 373.412 3.855 30 50 FHEA CCCCCCCCNC(=S)SCC(=O)N(CCC#N)CCC#N 100684577 PVTMRBOPXXVMSQ-UHFFFAOYSA-N 368.572 3.611 30 50 FHEA C[C@@H]1CC[C@](C#N)(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C1 101172621 QMTTTYCGJUXRGP-ZHRRBRCNSA-N 359.429 3.928 30 50 FHEA COc1cc2c(cc1OC)[C@@H](C#N)N(C)[C@H](Cc1c[nH]c3ccccc13)C2 101358777 LIFURDFPQZSGJI-OXJNMPFZSA-N 361.445 3.849 30 50 FHEA Cc1ccc(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)cc1C 170004657 NFNWITWIKBAKTR-UHFFFAOYSA-N 351.255 3.855 30 50 FHEA O/C(=N/[C@H]1CCOC2(CCOCC2)C1)c1scnc1C1CCCC1 329498513 GVGIRHLRJMONBG-AWEZNQCLSA-N 350.484 3.834 30 50 FHEA CC[C@H](C(=O)N1CCC(NCc2ccc(C#N)cc2)CC1)c1ccccc1 159910114 KJOXABVLTNVLRH-QFIPXVFZSA-N 361.489 3.833 30 50 FHEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 91391204 GOZUXQMYDOZXTL-NRFANRHFSA-N 356.466 3.560 30 50 FHEA N#Cc1ccc(F)c(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 277848753 SPMXWMRYJMMOFK-GFCCVEGCSA-N 352.335 3.819 30 50 FHEA CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2ccco2)C1=O 4614290 MTGNMBMSVBMHQA-PTNGSMBKSA-N 371.414 3.832 30 50 FHEA C#CCCC1(CCC(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)N=N1 952880310 JXBYGSVGJQWRCP-MRXNPFEDSA-N 372.900 3.947 30 50 FHEA Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccncc2)no1 1875264396 IDRSVTZSLLQALC-CNHKJKLMSA-N 350.165 3.590 30 50 FHEA N#Cc1ccccc1-c1ccc([C@H]2CC(=O)NCc3nc4ccccn4c32)o1 65374436 TXISNIXXIDLVMD-MRXNPFEDSA-N 368.396 3.618 30 50 FHEA O=C(C/N=C(/O)N1CCC[C@@H]1c1ccsc1)N1CCCc2ccccc21 328816459 ORFLCMAJXANBHI-GOSISDBHSA-N 369.490 3.778 30 50 FHEA c1ccc([C@@H]2O[C@]23CCC[C@@]2(O[C@@H]2c2ccccc2)C32OCCO2)cc1 216552339 PWNONDAOOROMHQ-UJOPUZHASA-N 350.414 3.934 30 50 FHEA N#Cc1ccnc(-c2cccc(C(=O)N3CCCC4(CCOCC4)C3)c2)c1 426490464 OPGDLIFHLYGFIU-UHFFFAOYSA-N 361.445 3.653 30 50 FHEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1)c1ccccc1 5448751 XWNUEAIVSCNWEA-FQEVSTJZSA-N 370.408 3.860 30 50 FHEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 5408638 CJHCCDWVNVLAGH-WOJGMQOQSA-N 369.406 3.797 30 50 FHEA C=CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(Cl)cc32)c2ccccc21 20064225 RBJBABBSMWIVDR-OAQYLSRUSA-N 363.848 3.743 30 50 FHEA biogenic COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]12C 257357242 MVLYYRYIEZOWIZ-CURHVMJVSA-N 356.462 3.797 30 50 FHEA COC(=O)[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@]3(C)CC[C@H]12 257347589 LTWLPBOTJIWDPF-WEUXUUONSA-N 374.477 3.603 30 50 FHEA CN(c1oc(-c2ccc(Cl)cc2)nc1C#N)S(=O)(=O)c1ccccc1 1857798545 MNTGUAQWWXAJPT-UHFFFAOYSA-N 373.821 3.692 30 50 FHEA C#CCCC1(CCC(=O)N(CCN(CC)CC)Cc2ccccc2)N=N1 2325894828 ROPCAOVEFQURGN-UHFFFAOYSA-N 354.498 3.713 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(OC)cc2)C[C@H]1c1ccccc1 758164 DDVRWGYUIYXVRS-PZJWPPBQSA-N 365.429 3.927 30 50 FHEA O=C(C[n+]1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 2896444 HKSPRQUYPFAAJE-UHFFFAOYSA-O 351.813 3.763 30 50 FHEA C(=N/Nc1cc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccccc1 4551769 MUSSEZOMLNLIJA-OQKWZONESA-N 364.497 3.903 30 50 FHEA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)cc1 1875374019 XPTQDFPHEVICSJ-UHFFFAOYSA-N 358.401 3.749 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)COCc1nc2ccc(F)cc2[nH]1 67955177 CAZXHHZEBOZHNH-UHFFFAOYSA-N 373.453 3.803 30 50 FHEA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc(F)cc(C#N)c3)C2)cc1 77323876 UJCYCFXPFGZAGX-INIZCTEOSA-N 352.409 3.937 30 50 FHEA Cc1ccc(N2CCN(/N=C/c3cccc(Br)c3)CC2)cc1 1192347 OLTQQYWABJDNSX-XSFVSMFZSA-N 358.283 3.914 30 50 FHEA C=CCOc1ccccc1CN1CCC[C@H](CCC(=O)N2CCCC2)C1 12387012 NZOXXNFIJSQYHB-LJQANCHMSA-N 356.510 3.866 30 50 FHEA CO[C@@]1(C)CCCN(/C(O)=N/Cc2cc(Cl)cc3c2OCC3)CC1 329992650 KPFNRPJGUDFMCN-SFHVURJKSA-N 352.862 3.580 30 50 FHEA N#Cc1cccc(C2(NC(=O)C[C@H]3CC(=O)Nc4ccccc43)CCC2)c1 2325764018 LTZYUGCZULRGBW-MRXNPFEDSA-N 359.429 3.570 30 50 FHEA Cc1cc([C@H](/N=C(/O)N2CCC[C@@H](Cn3ccnn3)C2)C2CC2)ccc1F 328895616 WHOTWHYOXOIBFS-DNVCBOLYSA-N 371.460 3.503 30 50 FHEA Cc1cc(C)cc(C(=O)N2CCCC[C@H]2/C(O)=N/CCN2CC=CCC2)c1 330020309 ADKMORHYYNXEBI-FQEVSTJZSA-N 369.509 3.517 30 50 FHEA CC(C)[C@H](N/C(O)=N/Cc1ccccc1)C(=O)N1CC2(CCC2)[C@@H]1C1CC1 330217643 IPWYLJHPTLVFHB-OALUTQOASA-N 369.509 3.506 30 50 FHEA Cc1cc(C#N)ccc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 331888837 IOMRRWSIANCFBD-SJLPKXTDSA-N 374.362 3.834 30 50 FHEA C=CCC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 11760824 NGSUYPDTJXSJDW-HXUWFJFHSA-N 374.500 3.621 30 50 FHEA CN(C(=O)Cn1cc(C#N)c2cc(Br)ccc21)c1ccccc1 1148462 GHTMFAYIGWZAFH-UHFFFAOYSA-N 368.234 3.938 30 50 FHEA CC1=C(Cl)C(=O)C(C(C)C)=C/C1=N\S(=O)(=O)c1ccc(C)cc1 2978927 WRWRNLJDEPGTRT-XDJHFCHBSA-N 351.855 3.803 30 50 FHEA COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccs2)cc1 3410507 PKZDWBIEORIWKR-UHFFFAOYSA-N 352.419 3.786 30 50 FHEA C[C@H](/N=C(/O)N1CCC(Cn2ccnn2)CC1)c1cc2cccc(F)c2o1 329922191 HWNSIDMHFYEIEG-ZDUSSCGKSA-N 371.416 3.551 30 50 FHEA N#Cc1ccc(F)c(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 286124909 GKHONPSIFPIQGN-IAGOWNOFSA-N 356.401 3.659 30 50 FHEA CN1CC2(CCN(Cc3ccccc3C#N)CC2)C[C@H](c2ccccc2)C1=O 91551825 JSBAHCRSTRQENI-JOCHJYFZSA-N 373.500 3.786 30 50 FHEA CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2 275772076 RILYWNBWADKCIE-GOSISDBHSA-N 352.507 3.501 30 50 FHEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 19315145 SMGPLZYAYNCHSS-QGZVFWFLSA-N 370.405 3.516 30 50 FHEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])c1 5408645 MCCBCQKQPJJHNV-WOJGMQOQSA-N 369.406 3.797 30 50 FHEA C=CCn1c(SCC(=O)c2cccs2)nc2sc(C)cc2c1=O 784829 XLMCPNJKLUUVNU-UHFFFAOYSA-N 362.501 3.989 30 50 FHEA CC(C)NC(=O)c1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1Cl 426422031 SSOXFJUXCPQKBJ-UHFFFAOYSA-N 362.861 3.636 30 50 FHEA Cc1ccc([C@]23C[C@H]2CN(c2ncc(Br)cc2C#N)C3)cc1 2325867858 HNRMUMVFPHXTDU-MAUKXSAKSA-N 354.251 3.802 30 50 FHEA C=CCN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 4917280 DMTWASGLWGOKTD-RVDMUPIBSA-N 355.375 3.608 30 50 FHEA CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101021029 NQIGULMINLBOAR-VIOQCSKWSA-N 374.440 3.770 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccc(Cl)cc1 20065813 QHUXILPJUCCMQE-INIZCTEOSA-N 371.776 3.527 30 50 FHEA O/C(=N/Cc1csc(O)n1)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328602978 DNYKVQVRURLJLS-DNVCBOLYSA-N 357.479 3.608 30 50 FHEA C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@H]2OC(=O)CCC(=O)O 257356518 IRQUJNVGEAJGSD-WBNICFMRSA-N 374.477 3.905 30 50 FHEA C=CCn1c(=N)n(C[C@H](O)c2ccc(Br)cc2)c2ccccc21 19771425 DCSHSQDXWATQAH-KRWDZBQOSA-N 372.266 3.604 30 50 FHEA N#Cc1ccc(OCC(=O)Nc2c(F)cc(Br)cc2F)cc1 131871578 ZYLJULVZJPSVIW-UHFFFAOYSA-N 367.149 3.616 30 50 FHEA N#Cc1nc(-c2ccco2)oc1NCCSc1ccc([N+](=O)[O-])cc1 1857800583 HLBZLZJNZBUUHN-UHFFFAOYSA-N 356.363 3.919 30 50 FHEA Cc1c(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)c(C#N)c2n1CCC2 2325862985 PPHSIQIEKAOGFS-GQCTYLIASA-N 356.328 3.832 30 50 FHEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(CC)cc1 2502882 UWFBHZJDAOVLJC-GOSISDBHSA-N 370.474 3.628 30 50 FHEA COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C/c2ccc(O)cc2)C1=O 4661045 GMZVKNOHFAPDBM-GZTJUZNOSA-N 369.804 3.923 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(C(C)C)no1 55088787 XWLXYXBMYRYNOB-UHFFFAOYSA-N 352.394 3.676 30 50 FHEA C=CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 225549227 NDWBWIDRLRQSPL-UHFFFAOYSA-N 370.789 3.769 30 50 FHEA N#Cc1c(N2CCOc3cc(O)ccc3C2)nc2c(c1C#N)CCCCCC2 329215813 NJCJQTSWXQVRDH-UHFFFAOYSA-N 374.444 3.589 30 50 FHEA CCC/C(=C\C1=C(OC)C(=O)c2ccccc2C1=O)C(=O)N(CC)CC 145620492 WEMXCNYTFZUFSB-BUHFOSPRSA-N 355.434 3.561 30 50 FHEA Cc1ccc(S(=O)(=O)N2C(=O)C(C)(C)SC2=Nc2ccccc2)cc1 245247930 ZDZRHGJYEKCBHL-UHFFFAOYSA-N 374.487 3.725 30 50 FHEA CC1(C)OB(c2cc(OC(F)(F)F)ccc2Br)OC1(C)C 169983305 MXRGQKOYIDQMFT-UHFFFAOYSA-N 366.970 3.647 30 50 FHEA CC1(C)OB(c2cc(Br)cc(OC(F)(F)F)c2)OC1(C)C 642814547 LHVHGIUPEAOMSW-UHFFFAOYSA-N 366.970 3.647 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1 846462 AJEGYZVDGWBKKJ-INIZCTEOSA-N 368.389 3.924 30 50 FHEA C[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2C#N)C1 2872598 CBGYOEMMEKGXRN-LLVKDONJSA-N 355.419 3.834 30 50 FHEA COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2F)C[C@H]1c1ccccc1 1440875 DKJPKGHUDWMGTE-KXBFYZLASA-N 357.356 3.806 30 50 FHEA CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(C#N)c(Cl)c1 777570661 WJSGRZXGMIBXIR-UHFFFAOYSA-N 350.809 3.670 30 50 FHEA C/C(O)=N/C1CCC(N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)CC1 328632408 RTBWBZYEQHKHDG-OFLPRAFFSA-N 364.490 3.538 30 50 FHEA N#Cc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 72144697 LRCIORZBLBQKJE-DNVJHFABSA-N 361.464 3.760 30 50 FHEA CC(C)c1nc(CN(C)C(=O)c2cccc(C#CC(C)(C)O)c2)cs1 215662143 PDBGLWKFBKUNIE-UHFFFAOYSA-N 356.491 3.661 30 50 FHEA COCC1(NC(=O)c2ccc(-c3cc(C)c(C#N)c(C)n3)cc2)CCCC1 584894793 MEUBHVQRPRPKFZ-UHFFFAOYSA-N 363.461 3.926 30 50 FHEA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1c(C)cc(C)cc1C 5022577 IJDHFUSWEPGFIA-DYTRJAOYSA-N 365.393 3.711 30 50 FHEA COc1ccc(/C=N\CCC/N=C/c2ccc(OC)c(OC)c2)cc1OC 18085867 CVQUKSXLPMUVED-OQRYGUKSSA-N 370.449 3.649 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccn1 19761322 SEDUCHOIUKMEMK-ZHRRBRCNSA-N 374.440 3.616 30 50 FHEA CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]n1 159865305 RRZBCQDBSZAUNO-SNVBAGLBSA-N 352.847 3.639 30 50 FHEA C=C(C)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/c1ccc(CCCC)cc1 1875263217 PABUGDWEDJMCRG-MBOBHEEDSA-N 373.522 3.673 30 50 FHEA Cc1csc(CCCCNC(=O)Nc2nc(Cl)c(C#N)s2)n1 888411426 YVQYBAARODRFBC-UHFFFAOYSA-N 355.876 3.578 30 50 FHEA C#CC1CC(NC(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)C1 2325827905 UBTLPIGBOPGTKH-PLOGVPAPSA-N 361.283 3.796 30 50 FHEA Cc1nccn1CC[C@H]1CCCCN1Cc1ccc(C#CC(C)(C)O)s1 952860365 NKNBCPRYNSSWBH-GOSISDBHSA-N 371.550 3.820 30 50 FHEA CCCCN(Cc1cccnc1)C(=O)c1cccc(C#CC(C)(C)O)c1 1506396090 BTFJGMXJPACNFW-UHFFFAOYSA-N 350.462 3.647 30 50 FHEA COc1cccc2cc(C(=O)Nc3sc(C)c(C)c3C#N)c(=O)oc12 1055244 CGNJPPXZABRBTE-UHFFFAOYSA-N 354.387 3.604 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1cccc(C)c1 7720994 STPLADNBBIYYCO-UHFFFAOYSA-N 363.417 3.639 30 50 FHEA Cc1cnc([C@H](/N=C(/O)N2CCC3(C2)Oc2ccccc2O3)C2CC2)s1 329684983 YIPFGMVVAHTREZ-MRXNPFEDSA-N 371.462 3.690 30 50 FHEA Cc1cc(C)c(C#N)c(-c2cccc(C(=O)N(C)CCn3ccnc3C)c2)n1 426597244 OVHNRFAZYBAPMW-UHFFFAOYSA-N 373.460 3.514 30 50 FHEA N#Cc1cc(F)ccc1Cn1c(=O)oc2cc(F)c(Br)cc21 170612190 RXUMNZKQJIJMSF-UHFFFAOYSA-N 365.133 3.555 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1COCc1ccccc1 628798 KUTCMKRTWOJQHK-INIZCTEOSA-N 369.461 3.513 30 50 FHEA COC[C@H]1CCCN1Cc1cccc(C(=O)Nc2cccc(C)c2C#N)c1 67842337 ZFIZONJTSRVDKT-LJQANCHMSA-N 363.461 3.730 30 50 FHEA C=CCn1c(SCC(=O)c2ccccc2C)nnc1-c1ccccn1 124892213 RRBPUWPEQPIWAM-UHFFFAOYSA-N 350.447 3.810 30 50 FHEA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C#N)C1 6262626 XGGUYIMRVZLSPF-SECBINFHSA-N 373.438 3.654 30 50 FHEA Cc1oc2ccc(N=C(O)N=c3cc([C@H]4CCCOC4)[nH][nH]3)cc2c1C 329807297 AALJRXQRQFQYQG-ZDUSSCGKSA-N 354.410 3.746 30 50 FHEA CN(C)/C=C/c1oc2ccc(Oc3ncccc3C#N)cc2c1[N+](=O)[O-] 49581336 NSNYXHAAJNJHEF-VQHVLOKHSA-N 350.334 3.932 30 50 FHEA Cc1noc(C)c1CCCNC(=O)CC1=C(c2ccccc2)CCC1=O 827801442 BTWWKWKNJQNHOF-UHFFFAOYSA-N 352.434 3.547 30 50 FHEA Cc1ccc(-c2cc[n+](CC(=O)c3ccc(Br)cc3)cn2)cc1 5683876 GZMUNFUSKAJTGZ-UHFFFAOYSA-N 368.254 3.990 30 50 FHEA N#CC1(CS(=O)(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)CCCC1 333870474 BQFHUGDBLRJDMO-SFHVURJKSA-N 358.507 3.670 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(C(F)(F)F)c1 19811245 UWEOANXIMPFBMC-MRXNPFEDSA-N 365.351 3.846 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)o1 4701014 POPJITKTVCXPTE-UHFFFAOYSA-N 373.452 3.964 30 50 FHEA C=CCn1c(=N)n(C[C@H](O)c2cccc(Br)c2)c2ccccc21 20057758 LFGMNLBOVWHKLJ-KRWDZBQOSA-N 372.266 3.604 30 50 FHEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1 6316636 ZCNOPQCPYPOIIN-RCCKNPSSSA-N 350.443 3.974 30 50 FHEA N#Cc1ccc(N2CC[C@@H](C3CCN(CCc4ccccc4)CC3)C2)nc1 72158130 SAXDRMILIRVTEB-JOCHJYFZSA-N 360.505 3.734 30 50 FHEA Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc(C(C)(C)C)no1 332016374 GLNUJNMIJXHIAT-UHFFFAOYSA-N 356.813 3.564 30 50 FHEA Cc1ncsc1CCN(C)[C@@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95501466 BBCDSKCWDPHJAT-QGZVFWFLSA-N 357.479 3.553 30 50 FHEA Sc1nnc(-c2ccccc2)n1N=Cc1ccc(Br)cc1 252429373 IJWLJDZJESIQMV-UHFFFAOYSA-N 359.252 3.879 30 50 FHEA CC(=O)OC[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)O)CC[C@H]12 254712725 HOGUPSMVUUERKH-UAOWYBJRSA-N 374.477 3.762 30 50 FHEA C=CCNC(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1 11945184 OAGZHZONWMKQNC-JOCHJYFZSA-N 369.509 3.520 30 50 FHEA C=CCCC(=O)NC[C@H]1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1 12184833 DNSXRBJHAIRFPZ-QGZVFWFLSA-N 359.429 3.683 30 50 FHEA COc1cc(/C=C2\CC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 4802476 NZSRSKNDCCSSGY-KAVGSWPWSA-N 352.386 3.945 30 50 FHEA Cc1ccc([C@@]23C[C@@H]2CN(c2cc(Br)cnc2C#N)C3)cc1 2325867009 HPQLNIPBAPLARV-KDOFPFPSSA-N 354.251 3.802 30 50 FHEA COc1ccc2c(ccc[n+]2CC(=O)c2ccc(Br)cc2)c1 1669461 XNYYAJNALZAWRC-UHFFFAOYSA-N 357.227 3.781 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(C)sc1SC 4094985 FDMAEHNREJYAGJ-OAHLLOKOSA-N 363.504 3.919 30 50 FHEA O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4914125 AFZFNIMBAMPYFQ-GXTWGEPZSA-N 368.414 3.661 30 50 FHEA C[C@@]12OC(=N)[C@@](C#N)([C@@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1ccccc1)O2 139099065 SECSTAJUVLINRG-RMEPHLEKSA-N 368.396 3.809 30 50 FHEA C=CCn1c(CNC(=O)c2ccco2)nnc1SCc1cccc(C)c1 12325295 QIIQYFDNEXDJDS-UHFFFAOYSA-N 368.462 3.588 30 50 FHEA COc1ccnc(/N=C\NOCc2cccc(Cl)c2Cl)c1C#N 13142654 JEZKUILHUAOADY-UHFFFAOYSA-N 351.193 3.650 30 50 FHEA C=CCOc1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 4870306 WOUSFSWQXGYABV-UHFFFAOYSA-N 369.808 3.885 30 50 FHEA C=CCn1c(-c2nc3c([nH]2)c(-c2cccnc2)nn3C)nc2ccccc21 101366469 ZQTIXSKJJBZQFC-UHFFFAOYSA-N 355.405 3.561 30 50 FHEA N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 77394474 PVCKMEYMCYLCLI-QGZVFWFLSA-N 359.389 3.977 30 50 FHEA Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1noc(C(C)(C)C)n1 332073718 WVBTVHQHRZDWNK-UHFFFAOYSA-N 356.813 3.564 30 50 FHEA COc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)cc1O 671261 JDHJUWQSTHPOAO-UHFFFAOYSA-N 359.175 3.626 30 50 FHEA C=CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1Cl 4811255 NCGRQPVBRYYHIR-AWEZNQCLSA-N 355.221 3.775 30 50 FHEA OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)cc1 65430659 FHKHGCLPGKDBPJ-OAQYLSRUSA-N 358.441 3.740 30 50 FHEA CC(C)(C)OC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 169746552 RUXDEXGOYVGKQO-UHFFFAOYSA-N 356.630 3.734 30 50 FHEA in-vitro O=C1N/C(=N/N=C/c2ccco2)S[C@H]1Cc1ccc(Cl)cc1Cl 18209393 YHDREEMRIJGFSE-VFJJTOLMSA-N 368.245 3.751 30 50 FHEA COc1cc(/C(C)=N/N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1O 19791090 QPBOKCMORSSMHU-PXLXIMEGSA-N 373.884 3.596 30 50 FHEA CCN(C(=O)CSc1nc(C)cc(COC)c1C#N)c1ccccc1 803270 RXLDCSAXBUVVEQ-UHFFFAOYSA-N 355.463 3.553 30 50 FHEA Cc1nc(Cl)cc(N(OC(=O)c2ccccc2)C(=O)c2ccccc2)n1 1232549 MCXDVBYDBXYYIU-UHFFFAOYSA-N 367.792 3.857 30 50 FHEA COc1ccc(-c2cnc3c(C#N)cnn3c2-c2ccc(OC)cc2)cc1 1393531 XDOGNJLDFNSERQ-UHFFFAOYSA-N 356.385 3.952 30 50 FHEA C/C(=C\c1ccccc1)[C@H]1O[C@@]23CCCC[C@@H]2[C@@]2(C#N)C(=N)N=C(O3)[C@@]12C#N 227289710 MDLMOOWAUVBLOW-MWPYEIRNSA-N 372.428 3.815 30 50 FHEA N/C(=N\OC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccncc1 4184134 UXQHSUZYYFUKGN-UHFFFAOYSA-N 368.396 3.774 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccncc1 19638397 RUVKUQSYYJCJBD-LAUBAEHRSA-N 374.440 3.616 30 50 FHEA COc1ccc(OC)c(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c1 1473733 NJLNDCLHMPBGKH-VXLYETTFSA-N 374.853 3.787 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccc(CN3CCCCC3)cc2)N=N1 952881888 NUIKFCZXIHCVTQ-UHFFFAOYSA-N 352.482 3.644 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)N=N1 952883440 ZUAPPARGZBTBHY-UHFFFAOYSA-N 364.449 3.670 30 50 FHEA CCOc1ccc([C@@H]2C[C@H]2/N=C(/O)[C@@H]2COCCN2C2CCCC2)cc1 329351643 UFVQFSJNDUILPK-ZCNNSNEGSA-N 358.482 3.541 30 50 FHEA COc1ccc([C@@H]2CN(Cc3cccc(C#N)c3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71750724 MZOICFZQTZAUFH-RBZQAINGSA-N 373.500 3.629 30 50 FHEA C[C@H](/N=C(/O)N[C@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1 330217930 IXYVZZIGLJECOF-BBRMVZONSA-N 352.862 3.633 30 50 FHEA Cc1ccccc1-c1cc(N=C(O)C(O)=Nc2ccnn2CC2CC2)n[nH]1 328596561 CFTXZQAJUALCMI-UHFFFAOYSA-N 364.409 3.868 30 50 FHEA COc1c(N=C(O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)c(C)nn1C 328608126 YBTZBZGRJDTJJT-UGSOOPFHSA-N 361.829 3.719 30 50 FHEA COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]12C 257359329 ZRBBCVQLZFVRCK-JFPHKVSJSA-N 354.446 3.573 30 50 FHEA COc1ccc(OC)c(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)c1 1473699 NBXUPSZCJXZRSP-YBFXNURJSA-N 354.435 3.816 30 50 FHEA Cc1ccc(S(=O)(=O)/N=C(/c2ccc(F)cc2)N2CCCCC2)cc1 12732589 UAHAGJBAMIJEIH-VZCXRCSSSA-N 360.454 3.756 30 50 FHEA N#CC1(/N=C(/O)CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 329502118 WBVLHPZPOUDIIF-CYBMUJFWSA-N 368.264 3.849 30 50 FHEA COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2F)C[C@@H]1c1ccccc1 1440873 DKJPKGHUDWMGTE-BEFAXECRSA-N 357.356 3.806 30 50 FHEA Cc1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c2cc(O)ccc2n1C 97217642 YBTFPBSITUVOFV-UHFFFAOYSA-N 373.456 3.890 30 50 FHEA CC(C)(C)C1CCC(C#N)(NC(=O)c2cccc(N3CCOC3=O)c2)CC1 170597551 DOCKNLCLNKQFBY-UHFFFAOYSA-N 369.465 3.872 30 50 FHEA COc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccccc1F 1093742 WQGLGAMTAYYFDK-GZIVZEMBSA-N 360.776 3.540 30 50 FHEA COc1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1OC 1410163 XDAQQNJIWLEPSL-UHFFFAOYSA-N 351.402 3.715 30 50 FHEA Cc1ccc(Cl)c(-n2nnc(C(=O)Nc3ccccc3C#N)c2C)c1 8022386 JQXNSQJBRLTJQX-UHFFFAOYSA-N 351.797 3.662 30 50 FHEA CCCCCCCCCCCCn1c(S)nc2c1c(=O)[nH]c(=O)n2C 8435523 MQEGJXUSFPYOTG-UHFFFAOYSA-N 366.531 3.633 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)Cc1c(CC)nn(C)c1Cl 65527410 HKFCLCJOYNJCOK-UHFFFAOYSA-N 371.872 3.874 30 50 FHEA COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(Cl)cc3)S2)cc1 1221205 CCZIGSNPLKKLMR-MBTVCVBTSA-N 373.865 3.513 30 50 FHEA COc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(OC)c1 1007198 UUOFLIYGLOGPNZ-CXUHLZMHSA-N 358.394 3.735 30 50 FHEA O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccccc1C(=O)O 5583220 BCJSGPZBHHEFCH-NTEUORMPSA-N 358.806 3.930 30 50 FHEA CCCNc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccccc2F)c1 225448757 OTFUFOACIKIGFA-UHFFFAOYSA-N 363.396 3.957 30 50 FHEA COc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCCCC2 808300 GMESBJZQCFECQO-UHFFFAOYSA-N 356.447 3.915 30 50 FHEA COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)c1ccco1 939882 KRBZMDMJWMHFOX-UHFFFAOYSA-N 374.348 3.970 30 50 FHEA NC(=S)N/N=C/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 2571257 KNKPKVLPPSVQLN-AERZKKPOSA-N 374.775 3.713 30 50 FHEA O=C1C[C@@H](c2ccncc2)c2c(ccc3c2O/C(=C\c2ccco2)C3=O)O1 253410538 NLSDZVIVUHZDLF-HAKPAVFJSA-N 359.337 3.732 30 50 FHEA biogenic N#Cc1ccccc1CN1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2100548051 TVBVXVMDICZCPJ-HSZRJFAPSA-N 359.473 3.715 30 50 FHEA C[C@@]1(CNC(=O)c2cccc3[nH]cc(C#N)c23)CCN(Cc2ccccc2)C1 2325858218 DQBDWOSTVXMCIL-QHCPKHFHSA-N 372.472 3.682 30 50 FHEA N#Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cn1 328334940 PMQQEDLVXFPGPG-UHFFFAOYSA-N 351.387 3.546 30 50 FHEA C/C(O)=N/[C@H](CC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1)c1ccc(C)cc1 329740961 VQZNCJJVQKGCBZ-GGPKGHCWSA-N 358.482 3.819 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2O 252695109 VDYLVWGBLQNNAW-MGMKKJNBSA-N 361.482 3.767 30 50 FHEA biogenic CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 847272 JATFYDMGZWHNST-HXUWFJFHSA-N 368.477 3.674 30 50 FHEA N#Cc1c(NC(=O)CSc2ncccn2)sc2c1CCCCCC2 6741332 SBDMIBIOJVPRMG-UHFFFAOYSA-N 358.492 3.800 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)c1sc2ncn(C)c(=O)c2c1C 55344028 OKHJEIGYCYVUTH-UHFFFAOYSA-N 373.503 3.502 30 50 FHEA OCC#Cc1csc(CN2CCC[C@]3(C=Cc4ccccc4O3)CC2)c1 65398811 BIEWXULVHWHNMY-QFIPXVFZSA-N 365.498 3.922 30 50 FHEA CCOC(=O)COc1ccc(/C=N/Nc2ccc(Cl)cc2)cc1OC 4646913 ATHUIEZIHAKAIZ-RGVLZGJSSA-N 362.813 3.737 30 50 FHEA OC(=Nc1cnc2c(Br)cccn12)c1cccnc1Cl 328591850 VAWLNPLTVNEOGY-UHFFFAOYSA-N 351.591 3.782 30 50 FHEA N#CC1(C#N)[C@@H](c2cccc(F)c2)O[C@@]23CCCCC[C@H]2[C@@]1(C#N)C(=N)O3 245325648 GVGVMAUFZVITNQ-ACZWYYKOSA-N 364.380 3.725 30 50 FHEA Cc1cc(F)ccc1C1CCN(/C(O)=N/[C@H]2CCc3c[nH]nc3C2)CC1 330273900 ZWSXBAIFICRIKD-KRWDZBQOSA-N 356.445 3.508 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](C)c2cnn(-c3ccc(C#N)cc3)c2C)N=N1 1875381750 GQDQUTIVFPHCCM-HNNXBMFYSA-N 374.448 3.585 30 50 FHEA COc1cc(Br)c(O)c(/C=N/Cc2ccc3c(c2)OCO3)c1 100325213 OWGOSCPNXHIVLF-QGMBQPNBSA-N 364.195 3.511 30 50 FHEA C=CCc1cccc2cc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c(=O)oc12 4859690 SUPQWYCRFNECAV-UHFFFAOYSA-N 364.357 3.990 30 50 FHEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccc(F)cc3)o2)cc1 170623851 SIQHTRXALKRBPV-UHFFFAOYSA-N 356.378 3.635 30 50 FHEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2cc3[nH]ccc3cc2C)cn1 328599859 CNRHQJATJAWBJC-QFBILLFUSA-N 367.453 3.939 30 50 FHEA O=[N+]([O-])c1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1 19773112 APRJNEQYSCRAMY-XQNSMLJCSA-N 374.444 3.900 30 50 FHEA C[Si](C)(c1cc(F)c(F)c(F)c1F)c1cc(F)c(F)c(F)c1F 169817464 MDQIAWFAEZGVGX-UHFFFAOYSA-N 356.288 3.622 30 50 FHEA C=C(C)CN1CCN(c2c(C)c(C)nc3c(-c4ccccc4)cnn23)CC1 5269604 UZQFCLUECBZTPP-UHFFFAOYSA-N 361.493 3.711 30 50 FHEA COc1ccc(C)cc1[C@H](C(=O)O)N1CCC(c2cccc(C#N)c2)CC1 55165914 ZETWJVXDAABZCT-OAQYLSRUSA-N 364.445 3.881 30 50 FHEA C#CCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 979830 GMXFYARZCRVQQM-GDNBJRDFSA-N 354.343 3.524 30 50 FHEA C#CCCC1(CCC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)N=N1 952883418 WYFWFTYZEBBSNQ-UHFFFAOYSA-N 372.900 3.730 30 50 FHEA COc1ccc(-c2cc(-c3cnc(C(C)C)nc3)c(C#N)c(N)n2)c(F)c1 67954671 RHIGGZJBZUCYBF-UHFFFAOYSA-N 363.396 3.931 30 50 FHEA N#Cc1ccnc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 286227260 JNALQGOKNFOSNE-HNNXBMFYSA-N 359.351 3.992 30 50 FHEA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 244718870 LSOKBGSNESTGKC-NRFANRHFSA-N 363.457 3.795 30 50 FHEA C[C@@H](CC#N)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 170944390 BZXZWLXZTXOZFE-JTQLQIEISA-N 363.248 3.700 30 50 FHEA CSc1nnc(-c2ccccc2)n1/N=C/c1c[nH]nc1-c1ccccc1 1121297 FPHROOZXAHYQJO-FYJGNVAPSA-N 360.446 3.939 30 50 FHEA C=CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 12343878 BJPGURCNRORCDO-CNYBTUBUSA-N 361.488 3.632 30 50 FHEA CC(=O)O[C@H]1CC[C@@]2(/C=N/O)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 1857743072 JIIVOVFNPCJNDJ-CPFPPFTFSA-N 359.466 3.890 30 50 FHEA C=CCn1c(=N)n(C[C@@H](O)c2cccc(Br)c2)c2ccccc21 20057759 LFGMNLBOVWHKLJ-QGZVFWFLSA-N 372.266 3.604 30 50 FHEA C[C@H]1CCc2c(sc(NC(=O)c3cc(C(F)(F)F)nn3C)c2C#N)C1 2743674 YMQPCMIRSKAXQU-QMMMGPOBSA-N 368.384 3.749 30 50 FHEA CCn1nccc1C(=O)/C=C/c1ccc(OC)c(Cn2cc(Cl)cn2)c1 6634665 HSWGWOPPERAJJN-GQCTYLIASA-N 370.840 3.706 30 50 FHEA CCn1nc(CC(C)C)cc1C(=O)N1CCC(C#N)(c2ccccc2)CC1 97499523 RFNSLZGZOVQUCF-UHFFFAOYSA-N 364.493 3.799 30 50 FHEA C=CCn1ncc(CN2CCC(COc3ccc(OC)cc3)CC2)c1C 820505284 NKAYBOHZDXEWIG-UHFFFAOYSA-N 355.482 3.677 30 50 FHEA C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 19758786 ANAONYNKXGIQFR-UHFFFAOYSA-N 369.515 3.713 30 50 FHEA N#C[C@H]1CCC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 332892694 GOKFEBJNTWBEFH-RRCSTGOVSA-N 362.271 3.687 30 50 FHEA CS/C(=N\C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 18024190 CGAMNSKIHXUDMK-UHFFFAOYSA-N 358.419 3.969 30 50 FHEA in-vitro N#Cc1cc(F)c(C(=O)Nc2cnn(-c3ccccc3Cl)c2)c(F)c1 133831430 GNCFWRGCSVBDRL-UHFFFAOYSA-N 358.735 3.928 30 50 FHEA COc1cccc(-c2cn[nH]c2C2CCN(c3ncccc3C#N)CC2)c1 67642016 KELSOFFPAMQEDT-UHFFFAOYSA-N 359.433 3.736 30 50 FHEA Cc1ccc([C@@H]2C[C@H](C)N(S(=O)(=O)Cc3cccc(C#N)c3)C2)cc1 332653482 KRRKXGZIFKRFDI-OXJNMPFZSA-N 354.475 3.575 30 50 FHEA N#Cc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 20246967 PYICUCWRPVPFAU-UHFFFAOYSA-N 366.774 3.952 30 50 FHEA CCN(CC)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 238900280 IMZIFRKFRVCUCI-UHFFFAOYSA-N 350.510 3.685 30 50 FHEA Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)cc1 5009642 VXUAKXMYULZQAY-YODDIOPGSA-N 357.866 3.813 30 50 FHEA Cc1nn(C)c(C)c1[C@@H](/N=C(/O)c1cc(C(C)(C)C)on1)C(F)(F)F 331198687 TXOYAFGZMBQDKD-CYBMUJFWSA-N 358.364 3.931 30 50 FHEA Cc1cc(=NC(=O)c2cc(C)n(C3CCCCC3)c2C)[nH]n1CCC#N 332212911 VMZHDZSSXLEFGM-UHFFFAOYSA-N 353.470 3.703 30 50 FHEA O=C(C#Cc1ccc(F)cc1)N1CC(Cc2ccccc2C(F)(F)F)C1 2325822734 LLHBLHFNMXMTHB-UHFFFAOYSA-N 361.338 3.897 30 50 FHEA C#CCCC1(CCNC(=O)C[C@]2(CC)CC(=O)c3ccccc3C2)N=N1 2325891398 DKISZCRSRHLLGI-FQEVSTJZSA-N 351.450 3.684 30 50 FHEA Cn1cc(CCC(O)=Nc2ncc(C34CC5CC(CC(C5)C3)C4)[nH]2)cn1 330313363 XDNHQKGUBPYBDE-UHFFFAOYSA-N 353.470 3.832 30 50 FHEA N#Cc1nc(-c2ccccc2F)oc1N1CCN(c2ccc(F)cc2)CC1 334161357 AJLVPWJRJUAJLD-UHFFFAOYSA-N 366.371 3.818 30 50 FHEA C=CCOc1cccc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)c1 952961339 DUJIZLWHEXDJKM-UHFFFAOYSA-N 369.436 3.869 30 50 FHEA N#CCCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2cccs2)n1 5050744 VZYAFZJBUGMYFI-UHFFFAOYSA-N 367.390 3.686 30 50 FHEA N#Cc1cc(O)cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)c1 804412850 FSHINNQFEGXYMM-QFIPXVFZSA-N 372.424 3.640 30 50 FHEA C=CCN1C(=O)[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 2857962 XRTWYXHWHCIHLR-HSZRJFAPSA-N 363.457 3.913 30 50 FHEA CC(=O)N(C1=C(N2CCCC2)C(=O)c2ccccc2C1=O)c1ccccc1C 4819491 JBLPMEDGZHVBMY-UHFFFAOYSA-N 374.440 3.735 30 50 FHEA N#CC1CCC(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 225654851 SLCJHARIKUMLQQ-UHFFFAOYSA-N 373.403 3.999 30 50 FHEA CCn1ccnc1[C@@H]1CCCCN1/C(O)=N/[C@H]1COc2c(C)cccc2C1 329721063 DVPWPOSJAPOVIG-MSOLQXFVSA-N 368.481 3.656 30 50 FHEA Cc1cc(-c2cc(-c3cc(CC(=O)O)cs3)nc(N)c2C#N)oc1C 71758969 ZWOOXGZFVIIGTL-UHFFFAOYSA-N 353.403 3.768 30 50 FHEA O/C(=N/[C@H]1CC=C(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2C[C@@H]1O 329302403 WTQMGQXLSUQXGO-SESVDKBCSA-N 366.436 3.924 30 50 FHEA C#CCCC1(CCNC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)N=N1 2325891192 XCFJRIPPEKNBRL-FMIVXFBMSA-N 374.444 3.756 30 50 FHEA COc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1N 841263258 AHXJAJWJUTVPAL-WMZOPIPTSA-N 350.422 3.581 30 50 FHEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1C 728371 IWAHYFTWXZOYGI-KRWDZBQOSA-N 369.461 3.794 30 50 FHEA CCCC(=O)C1=C(N(C)c2ccccc2)CC(C)(C)[C@H](C(=O)OC)C1=O 1234020 SRSDGAYLPAGFRJ-SFHVURJKSA-N 357.450 3.534 30 50 FHEA O=S(=O)(/N=C(/NC1CCCCC1)c1ccccc1)c1ccc(F)cc1 18066196 CGEUBRPYBXSXBP-UHFFFAOYSA-N 360.454 3.884 30 50 FHEA O/C(=N/CCc1ccc2ccccc2n1)N1CC[C@]2(C1)OCc1ccccc12 329960033 RKGRKGUXNGFPNJ-HSZRJFAPSA-N 373.456 3.823 30 50 FHEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C 225495861 CSODFZYEAZQUPE-KDOFPFPSSA-N 359.857 3.545 30 50 FHEA C[C@@H]1CCc2sc(N3C(=O)[C@H]4CC=C(Cl)C[C@@H]4C3=O)c(C#N)c2C1 100641645 UZFRZCVRHABEJM-CDMKHQONSA-N 360.866 3.767 30 50 FHEA C/C(=N\N1CCN(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 32694172 GKDCYDHTHCBRLI-RCCKNPSSSA-N 372.856 3.790 30 50 FHEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/Cc1ccc2c(c1)OCO2 328608423 YYSHHBGLITXJNX-IIBYNOLFSA-N 367.401 3.621 30 50 FHEA Cn1c([C@H]2CCCN2C/C(O)=N/C2(C#N)CCCCC2)nc2c1CCCC2 328625833 DNQMQXHNZMJUIM-GOSISDBHSA-N 369.513 3.619 30 50 FHEA N#Cc1cccc(C2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1 96140101 PPNAFLKEFNJRKK-UHFFFAOYSA-N 373.456 3.705 30 50 FHEA CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 257347918 YVWBACPZDDNQBJ-QSYBZJEFSA-N 360.370 3.542 30 50 FHEA N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCCC2 102346020 GOBRYYYVULIYOP-SYWGBEHUSA-N 370.474 3.740 30 50 FHEA Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(Cl)cc1Cl 6198507 BVUAUDLIWAAZTE-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA C=CCc1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1O 1740198 WMGAHAOMVSWLES-PXLXIMEGSA-N 355.869 3.930 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(-n3nc(C)cc3C)c(OC)c2)N=N1 1875368575 BCWCTUKYMACDPL-UHFFFAOYSA-N 365.437 3.792 30 50 FHEA C=CCOc1ccc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 4519875 VZNDDOFFJZNSOE-QGZVFWFLSA-N 361.397 3.544 30 50 FHEA N#Cc1ccnc(N2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3)C2)c1 426700086 RUXGCLYMOWVKHR-OAQYLSRUSA-N 368.431 3.724 30 50 FHEA C=CCSc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1 12343938 XXRONXQHHLULKK-UHFFFAOYSA-N 351.431 3.945 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC)cc2)C[C@@H]1c1ccccc1 758161 DDVRWGYUIYXVRS-CTNGQTDRSA-N 365.429 3.927 30 50 FHEA CNC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N 3612374 SRYNOAWPVKJURT-UHFFFAOYSA-N 369.343 3.616 30 50 FHEA C=CCc1ccccc1OCCN(C)Cc1cc2ccc(F)cc2[nH]c1=O 55357707 GPWWOFXAMJDZBC-UHFFFAOYSA-N 366.436 3.907 30 50 FHEA Cc1cc(C)n(CC(O)=Nc2cccc(N3CCCCCC3)c2)c(=O)n1 329837253 VJXDYXBIPIWMIW-UHFFFAOYSA-N 354.454 3.529 30 50 FHEA C=CCCC(=O)N(CC)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 12580385 YWSOQDSLDSDBBK-FQEVSTJZSA-N 358.526 3.764 30 50 FHEA COc1cccc(/C=N/c2ccc(I)cc2)c1O 18285531 BTSADZVEHYYJKP-CXUHLZMHSA-N 353.159 3.756 30 50 FHEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccn2)C2=C(CCCC2=O)N1 19535438 JLIBTXSUHRYWSJ-JOCHJYFZSA-N 374.440 3.793 30 50 FHEA CN(C)N1C(=O)C[C@@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O 1423015 UQEBPFNIEZGRAK-LBPRGKRZSA-N 353.249 3.793 30 50 FHEA CC(=O)C1=C(NCCc2nc3ccccc3[nH]2)C[C@@H](c2ccccc2)CC1=O 100168929 XVMZPMXVDFFJTJ-QGZVFWFLSA-N 373.456 3.685 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(OC)cc2)C[C@@H]1c1ccccc1 758162 DDVRWGYUIYXVRS-TZIWHRDSSA-N 365.429 3.927 30 50 FHEA N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2)cc1 849546 ZOXFXPZJXICCBF-RTBURBONSA-N 362.385 3.956 30 50 FHEA C=CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 36914701 FNCSRFHDUZYOCR-OAQYLSRUSA-N 351.402 3.945 30 50 FHEA C#CCN(C(=O)c1cc(Cc2ccc(OC)cc2)no1)C1CCCCC1 15001392 KNDOSPMWBZBQGD-UHFFFAOYSA-N 352.434 3.682 30 50 FHEA N#Cc1cc(F)cc(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)c1 826768249 QAQQKJVJABXPSC-LJQANCHMSA-N 354.381 3.898 30 50 FHEA CC(=O)Nc1ccc([C@@H]2C3=C(CCCC3=O)O[C@H]3CCCC(=O)[C@H]32)cc1 12379615 FSGGLVGJQVCFIE-YSIASYRMSA-N 353.418 3.504 30 50 FHEA CCOc1ccc(CCNC2=C(C(=O)CC)C(=O)CCC2)cc1OCC 100140113 GHELZMJGAQGILD-UHFFFAOYSA-N 359.466 3.602 30 50 FHEA CCOC(=O)N1CCN(CCC[C@@](C#N)(c2ccccc2C)C(C)C)CC1 71782650 MKJGCXRAZMAYQK-QFIPXVFZSA-N 371.525 3.967 30 50 FHEA COc1ccccc1CC/N=C(/N)Nc1ccc(OC(F)(F)F)cc1 303779364 KKLIHQYAMVGJOP-UHFFFAOYSA-N 353.344 3.563 30 50 FHEA N#CC1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 188176893 BPCTWUWDRQNSEA-CQSZACIVSA-N 367.280 3.517 30 50 FHEA Cc1cc([C@H]2CCCN(/C(O)=N/CCc3ccc(Cl)s3)C2)n[nH]1 328783235 HVRAONSAAJWVEF-LBPRGKRZSA-N 352.891 3.769 30 50 FHEA N#CCCn1cc(/C=C/C(=O)N2CCC(c3cnc[nH]3)CC2)c2ccccc21 2325711296 ISKUYWHOVGVDNG-VOTSOKGWSA-N 373.460 3.697 30 50 FHEA N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 245327387 PIBUADMXOIBKEU-QGWWYQLQSA-N 366.808 3.849 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OP(=O)(O)O 252694649 NWJXKHVJFGAOMY-QMROVXIMSA-N 368.410 3.996 30 50 FHEA biogenic COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2F)cc1OC 1475962 AOMCKOZJWJXHDD-VXLYETTFSA-N 358.398 3.646 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 629480 IPVUJUCLQYBCRD-IBGZPJMESA-N 369.461 3.862 30 50 FHEA C=C(C)Cn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O 1071017 DKMIZLZPJQWHGU-UHFFFAOYSA-N 350.443 3.948 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C)cc2)cc1OC 6009098 DNLHMUNALKMXFB-YBFXNURJSA-N 354.435 3.816 30 50 FHEA Cc1nc(=O)cc(C2CCN(Cc3ccc(-c4ccccc4C#N)o3)CC2)[nH]1 215940073 ZZEPHJHWYOLIDG-UHFFFAOYSA-N 374.444 3.590 30 50 FHEA CC[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 180373461 JDVPLHULZHCSKU-KRWDZBQOSA-N 353.510 3.872 30 50 FHEA CCOC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C=O)[C@@H]3CC[C@@]12C 254702243 TUNNPNUOPZXPEB-UAOWYBJRSA-N 358.478 3.877 30 50 FHEA COC(=O)[C@]1(C)[C@H]2[C@H]3[C@H]4[C@H]1[C@H]1CC[C@]5(C)[C@@H]1[C@@H]4[C@@]1(C)[C@H]3[C@H]3[C@H]2CC[C@@]32O[C@@]152 257347070 QOZOZVKTNHNZNM-WOKJEVLYSA-N 366.501 3.517 30 50 FHEA COc1ccc(C(=O)/C=C/c2ccc3c(c2)sc(=O)n3C)cc1OC 170612964 AAASEOOVGKIRMZ-VMPITWQZSA-N 355.415 3.513 30 50 FHEA C/C(=N\N=C1/NC(=O)[C@H](Cc2ccccc2)S1)c1ccc(Cl)cc1 5214334 GVZQMKQFOPTAKT-GKXUUXLPSA-N 357.866 3.894 30 50 FHEA O=C(O)c1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 2577168 UFOLOUVNBLFJQU-FRKPEAEDSA-N 365.139 3.512 30 50 FHEA C[C@H](/N=C(/O)[C@@H]1CCC(=O)c2ccccc21)C(=O)N1Cc2ccccc2C1 328899378 XHUMVPLMHFYHGW-IFXJQAMLSA-N 362.429 3.634 30 50 FHEA Cc1ncoc1/C(O)=N/[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 329807582 AGOMYJLQVRIHTR-JTQLQIEISA-N 374.750 3.634 30 50 FHEA N#CC1(c2ccncc2F)CCN(CCc2nsc3ccccc23)CC1 2325807837 WWUADOJJJLIBHK-UHFFFAOYSA-N 366.465 3.930 30 50 FHEA COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccs1)C2 4520692 GWDTVFISSNNIPW-TZMCWYRMSA-N 353.443 3.761 30 50 FHEA C[C@H](/N=C(/O)[C@@H]1CCO[C@H]1c1ccnn1C)c1cccc(N2CCCC2)c1 328635444 UTMOAMOXZVRCTM-QKYXUNIQSA-N 368.481 3.816 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)O)CC[C@@]43C)[C@@H]1CC[C@H]2O 253500046 VDYLVWGBLQNNAW-BMRPHVGESA-N 361.482 3.767 30 50 FHEA biogenic C=CCN(Cc1ccc(C)s1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 1615703290 REALWYLQIJNXAA-RBUKOAKNSA-N 374.550 4.000 30 50 FHEA C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 2058740 NACOHXPXLCDGLI-CQSZACIVSA-N 355.221 3.693 30 50 FHEA CC(C)c1cc(C(O)=Nc2nncn2C2CC2)c2cnn(C(C)C)c2n1 329112804 KWKKJKGCQCEQQE-UHFFFAOYSA-N 353.430 3.698 30 50 FHEA N#CC1(c2ccccc2)CCN(Cc2cnc(N3CCCC3)s2)CC1 216140105 AZSNRCHGLAOFNA-UHFFFAOYSA-N 352.507 3.801 30 50 FHEA Cn1c(/C(O)=N/[C@H]2CCc3c[nH]nc3C2)cc2cc(C(F)(F)F)ccc21 329830693 FEJOZWHMZLWOIK-ZDUSSCGKSA-N 362.355 3.782 30 50 FHEA CN(C)CCCOc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1 71750377 YFXOKLZXCSQNCF-UHFFFAOYSA-N 361.449 3.528 30 50 FHEA Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 426372122 PQICWYLUTKHYSQ-OAHLLOKOSA-N 373.460 3.804 30 50 FHEA CC1(C)C=C2C(=C(O)C[C@H](c3ccc([N+](=O)[O-])cc3)C2(C#N)C#N)C(=O)C1 106871292 PFONIHBNLNVGGC-CQSZACIVSA-N 363.373 3.853 30 50 FHEA CCOc1cccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)c1O 1243559 DDURSZSLRSHXPX-YBFXNURJSA-N 354.435 3.903 30 50 FHEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 1875245872 BPJAPNMIPAFKLX-QGZVFWFLSA-N 371.481 3.700 30 50 FHEA N#C[C@@H](c1ccccc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(CN)c2)CC1 1875287555 OSOYTZVEGIOVJP-ZRBLBEILSA-N 373.500 3.795 30 50 FHEA Cc1nnc([C@H]2CCCN(C(=O)c3ccc(C(C)(C)C#N)cc3)[C@H]2C)o1 886084738 DIIWALUYIAWTGV-GUYCJALGSA-N 352.438 3.588 30 50 FHEA C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2383933 CPJQXKHZCVDRSX-IBGZPJMESA-N 351.402 3.945 30 50 FHEA O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@H]1Cc1ccc(F)cc1 4889226 HALVPNNTMBSUAZ-VYXQJKENSA-N 361.829 3.643 30 50 FHEA CCCC(=O)C1=C(Nc2ccc(C)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O 100319528 GRUWUNXUKKHSRB-GOSISDBHSA-N 357.450 3.818 30 50 FHEA COc1ccc(C(=O)O/N=C2\CCCc3c2ccc(O)c3C)cc1OC 5101600 SMMCZVZTUPHRLZ-LTGZKZEYSA-N 355.390 3.615 30 50 FHEA O=C(C[n+]1ccc(-c2cccc(Br)c2)nc1)c1ccccc1 5735244 YPJWOEOUXSJPCF-UHFFFAOYSA-N 354.227 3.682 30 50 FHEA Cc1cc(C#N)cnc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325782333 OYQIEHCVWLEEQQ-UHFFFAOYSA-N 355.825 3.599 30 50 FHEA Cc1ccc(OC[C@H]2CCCN(Cc3cc(C#CCO)cs3)C2)cc1 55371106 KAVXHZDRFDBUKC-IBGZPJMESA-N 355.503 3.691 30 50 FHEA Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1ccccn1)[C@@H]1CCCN21 229706501 LVBJAXYKDWSGLN-RBBKRZOGSA-N 355.445 3.562 30 50 FHEA N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 252679788 RFSCISGKYQADMJ-MJBXVCDLSA-N 373.334 3.551 30 50 FHEA CC(C)(C#N)CC(=O)N1CCOc2cc(Br)c(Cl)cc21 332741075 ZFEOYPLOGPWYQO-UHFFFAOYSA-N 357.635 3.768 30 50 FHEA CCc1onc(C)c1/C(O)=N/[C@@H](c1nc(C(C)C)no1)C1CCOCC1 328613319 RMZMFIBUOICFOQ-OAHLLOKOSA-N 362.430 3.524 30 50 FHEA OC(=Nc1cccc2c1OCO2)N1CCC[C@@H]1c1ccc2c(c1)OCO2 329462577 QFQXGXDKCMJHAE-CQSZACIVSA-N 354.362 3.527 30 50 FHEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc([C@@H]2CCCCO2)o1 71765632 BKVWQYHDUGXRIN-HNNXBMFYSA-N 363.421 3.746 30 50 FHEA Brc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 239203191 RXTBFFWCGVIGEM-UHFFFAOYSA-N 358.283 3.601 30 50 FHEA Cc1cc(=O)c2cccc(-c3ccc(C(=O)N4CCC[C@H](C#N)C4)cc3)c2[nH]1 534653076 KDGIPTQCCJFFCS-MRXNPFEDSA-N 371.440 3.879 30 50 FHEA COc1ccc(NC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1 169955862 DCFYSTOGYDLERQ-UHFFFAOYSA-N 368.242 3.638 30 50 FHEA C#CCCC1(CCNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)N=N1 2325891184 WGRAEMQIFKBRGZ-UHFFFAOYSA-N 367.428 3.830 30 50 FHEA COc1ccc(C(=O)/C=C(\C)Nc2ccc(N3CCOCC3)cc2)cc1 4998742 OKHZGUXPWGFESD-FOCLMDBBSA-N 352.434 3.730 30 50 FHEA CC(C)=CC[C@@H](OC(=O)CC(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 2516907 UTOUNDHZJFIVPK-QGZVFWFLSA-N 372.417 3.717 30 50 FHEA biogenic C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N 329870424 BQAHQSCBDZDHNW-LKUPVBHCSA-N 358.457 3.848 30 50 FHEA O=C(C/N=C(/O)CCC1CCCC1)N1CCC[C@]2(C1)OCc1ccccc12 330078557 IEBQYXNJCHMYTH-JOCHJYFZSA-N 370.493 3.961 30 50 FHEA N#Cc1cnc2c(F)ccc(Cl)c2c1N[C@@H]1c2ccccc2C[C@@H]1O 170014727 WJBBUZJOLOPLIA-MAUKXSAKSA-N 353.784 3.969 30 50 FHEA CCOc1ccc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@H](C)C3)o2)cc1 17777711 SMAADTHPXFACRX-ONWOKCAKSA-N 353.422 3.729 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc(NC(=O)c3ccncc3)c2)N=N1 2325891895 ABYDOJFEMDIELC-UHFFFAOYSA-N 361.405 3.628 30 50 FHEA O=C(NC(=O)C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1891126 ZNPLSGVNNLMLSV-UHFFFAOYSA-N 368.155 3.935 30 50 FHEA CC(=O)O[C@@H]1CC[C@@]2(/C=N/O)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 261490497 JIIVOVFNPCJNDJ-GQETZVPDSA-N 359.466 3.890 30 50 FHEA C=CCN(CC=C)C(=O)c1ccccc1C(=O)OCC(F)(F)C(F)F 12343632 PFLXMZSRBRKLKF-UHFFFAOYSA-N 359.319 3.558 30 50 FHEA CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccc(O)cc2)C1=O 12512880 SLVFFRIZRCDEST-PTNGSMBKSA-N 363.369 3.692 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)N=N1 2325892242 FXZQBTHCJCPGEF-LEWJYISDSA-N 361.445 3.933 30 50 FHEA N#Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 2618591 CBIXCKLIJQSUCP-UHFFFAOYSA-N 365.614 3.992 30 50 FHEA COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(O)cc2)C1=O 4755871 YBSHPQOULVCUQT-PTNGSMBKSA-N 353.399 3.546 30 50 FHEA CC[C@H](C/N=C(/O)N1CCOC[C@@H](C2CCC2)C1)Oc1ccccc1F 330196876 RADPIPVEKGUXDN-DLBZAZTESA-N 364.461 3.646 30 50 FHEA Cc1ccc(CC/N=C(/O)N2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c(C)c1 328760880 XVGRYCUJOHBAAA-PMACEKPBSA-N 366.509 3.904 30 50 FHEA Cc1cc([C@@H]2CCCN2/C(O)=N/Cc2nc3ccccc3n2C2CC2)on1 329512213 KXPNWVFMPAFHGF-KRWDZBQOSA-N 365.437 3.919 30 50 FHEA CN(C)CC[C@@H]1CCCCN1C(=O)CC1=C(c2ccccc2)CCC1=O 72431728 OCLGEKBZKIDINZ-SFHVURJKSA-N 354.494 3.526 30 50 FHEA N#Cc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl 124597799 JFHPQARHIIJGOD-UHFFFAOYSA-N 351.211 3.866 30 50 FHEA N/N=C1\c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 100033664 QBGMRRUHCFHZLC-MEQARESCSA-N 354.409 3.563 30 50 FHEA OC(/C=C/c1ccccc1)=N/CCC/N=C(/O)[C@@H]1CCc2c[nH]nc2C1 328586305 WDEIOEKHQNXRSZ-OJXHRBAXSA-N 352.438 3.531 30 50 FHEA COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)ccc1O 217916634 PCJMFYKBTYEPKG-CYBMUJFWSA-N 366.369 3.711 30 50 FHEA biogenic CN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccc(C#N)s1)CC2 275690312 MNVWUDGZUIAQAE-INIZCTEOSA-N 358.536 3.563 30 50 FHEA Cc1cccc(NC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1 203543031 GBWHYXZCAAQLDK-UHFFFAOYSA-N 352.243 3.938 30 50 FHEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccco1 229742313 OUCQPFCLFGZBQQ-NJYVYQBISA-N 353.418 3.678 30 50 FHEA biogenic C[C@@H](NC(=O)[C@@]1(C#N)CC12CCOCC2)c1ccc(-c2ccncc2)cc1 1875276013 CAOHKPXWEYDFBE-ZHRRBRCNSA-N 361.445 3.636 30 50 FHEA Cc1c(/N=C/C=C/c2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 101095105 XBABECWXTPHFID-OCPJZBGJSA-N 362.389 3.808 30 50 FHEA COc1ccccc1-n1cc(CN2CCC(C#N)(c3ccccc3)CC2)cn1 824835202 UAABGHJTVQMDOE-UHFFFAOYSA-N 372.472 3.938 30 50 FHEA Cc1noc([C@@H]2CCN(c3oc(-c4ccc(Cl)cc4)nc3C#N)C2)n1 1857798758 AEHNLZRJFBUBHX-GFCCVEGCSA-N 355.785 3.552 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(CCCC(=O)c1ccc(F)cc1)CC2 91439779 HHVHBMTXNBWIAH-UHFFFAOYSA-N 372.484 3.679 30 50 FHEA Cc1[nH]c(NC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)c(C#N)c1C 2325803465 IFJKJIDUMDXEJW-SFHVURJKSA-N 364.449 3.889 30 50 FHEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 6420919 CJTSOEGNQYXLKQ-NRFANRHFSA-N 373.456 3.997 30 50 FHEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccc(C)s2)cc1 9087831 PGTNLFRIKWCGAO-LICLKQGHSA-N 359.480 3.580 30 50 FHEA CC(C)c1nccn1CCCNC(=O)c1ccc(-c2ccccc2C#N)nc1 67562846 RWSUYWAWRNFLPV-UHFFFAOYSA-N 373.460 3.760 30 50 FHEA N#Cc1ccnc(N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)c1 426700085 RUXGCLYMOWVKHR-NRFANRHFSA-N 368.431 3.724 30 50 FHEA C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccco1 5009809 XKBNQNLRNWATHJ-XVEDWSDESA-N 353.447 3.651 30 50 FHEA CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@H](c1ccc(F)cc1)C(C#N)C#N 12379254 QMPVYGCTGXENIZ-RBUKOAKNSA-N 367.355 3.556 30 50 FHEA CC(C)Oc1ccc(C/N=C(/S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 8828798 BJWONPQIIOGGNY-UDWIEESQSA-N 372.450 3.792 30 50 FHEA COCc1cccc(CNc2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)c1 2050024970 KYDLIFGKEYLPSM-UHFFFAOYSA-N 364.361 3.880 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc(C[C@@H]3CCCN(C)C3)c2)N=N1 2325886401 VTPVOQNEUZQTGL-SFHVURJKSA-N 352.482 3.865 30 50 FHEA C=C(C)C(C)(C)C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 72153933 PWAGRCIXRYSUDI-FQEVSTJZSA-N 373.516 3.541 30 50 FHEA C=CCC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cn1)c1ccccc1 495026594 JRRPLWASDPNRDI-HXUWFJFHSA-N 364.493 3.522 30 50 FHEA CC(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 4321684 HYHZYFKITSMITF-GFCCVEGCSA-N 366.701 3.743 30 50 FHEA Cc1nc(N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)ccc1C#N 330181037 NSVSUMXSUZVIOB-ROUUACIJSA-N 369.415 3.645 30 50 FHEA N#Cc1ccccc1C(=O)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82125720 IDWIJUIEXGYFMP-FQEVSTJZSA-N 370.456 3.823 30 50 FHEA Cc1cccc(-c2cc[n+](CC(=O)c3ccc(Br)cc3)cn2)c1 5711116 ATLIABGZGXYTDR-UHFFFAOYSA-N 368.254 3.990 30 50 FHEA CCNC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccc(C#N)cc1 1857710468 YQSIAPYNATWKJC-WMTXJRDZSA-N 373.500 3.660 30 50 FHEA COc1ccc(-c2nc(CN3CCC[C@@H](C#N)C3)c(C)o2)c(OC)c1C 67946735 MOQMKBFALGQGQL-HNNXBMFYSA-N 355.438 3.711 30 50 FHEA N#CC[C@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)c1ccco1 20404953 GEQZFCBKMPMODE-SNVBAGLBSA-N 373.718 3.898 30 50 FHEA C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccnc1 239121077 JGQSQTHHVFYQNZ-UHFFFAOYSA-N 354.457 3.803 30 50 FHEA N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCc4[nH]ncc4C3)cc2)cc1 163106651 UELLQFQNHUZCGH-QGZVFWFLSA-N 373.416 3.753 30 50 FHEA COc1cc(-c2n[nH]c(=S)n2/N=C/c2ccccc2)cc(OC)c1OC 5357470 UAHNHGAQGUAMOS-YBFXNURJSA-N 370.434 3.516 30 50 FHEA Cc1cc([C@@H]2CCCN(/C(O)=N/CCc3ccc(Cl)s3)C2)n[nH]1 328783234 HVRAONSAAJWVEF-GFCCVEGCSA-N 352.891 3.769 30 50 FHEA C=CCc1cc(Cl)ccc1OCCOCCN1C[C@@H](C)O[C@H](C)C1 20167756 YGSMKKXXHUIXGQ-HZPDHXFCSA-N 353.890 3.573 30 50 FHEA N#Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1 29047504 BWJOQFMMTKEZGA-UHFFFAOYSA-N 362.066 3.701 30 50 FHEA in-vitro COc1ccc2ccccc2c1C/N=C(/O)[C@H]1CC12CCS(=O)(=O)CC2 328836559 MYRJBOJPYDMNSQ-QGZVFWFLSA-N 373.474 3.520 30 50 FHEA Cn1cc(-c2cc(-c3cc(F)cc(C(F)(F)F)c3)nc(N)c2C#N)cn1 71776500 JPORSZLGRXJKGS-UHFFFAOYSA-N 361.302 3.761 30 50 FHEA CC1(C)CC(=O)c2sc(NC=C3C(=O)c4ccccc4C3=O)nc2C1 100944209 PKNBFGHRDONDSH-UHFFFAOYSA-N 352.415 3.673 30 50 FHEA C[C@H](NC(=O)CC1=C(c2ccccc2)CCC1=O)c1cn2ccsc2n1 952976618 SCUYWGZLSHPOJO-ZDUSSCGKSA-N 365.458 3.780 30 50 FHEA CCOc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 13661032 LZRGNRVXZAUVJR-PXLXIMEGSA-N 357.885 3.890 30 50 FHEA O=C(/C=C/c1ccccc1F)c1cc(F)ccc1OC(=O)N1CCOCC1 4833484 NYMZWUIRKGVGHP-FNORWQNLSA-N 373.355 3.692 30 50 FHEA C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccccc4)c(C)nn23)CC1 6759844 UVYROFDPDHVYMI-UHFFFAOYSA-N 361.493 3.711 30 50 FHEA CCCC(NCCc1ccc(OC)c(OC)c1)=C1C(=O)CC(C)(C)CC1=O 100476580 BCLMCPBVRSZFAN-UHFFFAOYSA-N 373.493 3.848 30 50 FHEA biogenic Cc1cc(C)cc(C[C@H](C)/N=C(/O)N2CCCC[C@@H]2[C@@H]2CN=C(O)C2)c1 328951813 NRIKQMMLSFDUDH-YTQUADARSA-N 357.498 3.979 30 50 FHEA CC1(C)C(O)=Nc2cc(/C(O)=N/[C@@H]3CCC(O)=N[C@@H]3[C@H]3CCCO3)ccc21 329121849 QTAOCMHIRCBPAU-UNEWFSDZSA-N 371.437 3.537 30 50 FHEA N#Cc1cccnc1-c1cccc(-c2ccn(CCN3CCCCC3)n2)c1 20255080 GQGAVDKNNWCRNT-UHFFFAOYSA-N 357.461 3.970 30 50 FHEA CC1(C)OB(c2cc(NC(=O)Oc3ccccc3)ccc2F)OC1(C)C 169747294 KKBJOLFEKYVQQQ-UHFFFAOYSA-N 357.190 3.736 30 50 FHEA N#Cc1ccccc1CN1CC[C@@]2(CN(C/C=C/c3ccccc3)CCO2)C1 1857691002 RPNBXIMFBLTCHF-CCWPHWCFSA-N 373.500 3.548 30 50 FHEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C2 100261614 BSUPBEZJWQANHP-YCRPNKLZSA-N 371.433 3.581 30 50 FHEA C#CCCC1(CCC(=O)N(C)Cc2coc(-c3ccc(C#N)cc3)n2)N=N1 1875382125 RPIARMSJPBUARB-UHFFFAOYSA-N 361.405 3.527 30 50 FHEA COc1cccc([C@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c1 780017 AZAOPXCUWDXTQL-IBGZPJMESA-N 357.409 3.997 30 50 FHEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Br)cc1 8468868 GBOXZFUELGXKBG-AWEZNQCLSA-N 352.228 3.534 30 50 FHEA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 5095178 GGPWXZRABYKDDH-LJQANCHMSA-N 365.458 3.750 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 12403581 LALSFJZZQVQYEH-VCHYOVAHSA-N 352.306 3.808 30 50 FHEA C#CCN(Cc1ccco1)C(=O)c1ccc(NC(=O)c2ccoc2C)cc1 55109001 XXIJMKGYVBRQAR-UHFFFAOYSA-N 362.385 3.709 30 50 FHEA COc1cccc([C@H]2CN(Cc3cccc(C#N)c3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72143607 MDJRYANARFVZMD-WXFUMESZSA-N 373.500 3.629 30 50 FHEA Cc1cccc2nc(C/N=C(/O)[C@H]3C[C@@]34CCOc3ccc(F)cc34)cn12 328604415 JPULCSUKWSFBAZ-DYESRHJHSA-N 365.408 3.979 30 50 FHEA CC(C)(C#N)c1ccccc1CNc1ccc(CS(C)(=O)=O)c(F)c1 131848249 JPTNDSOCKMXBLV-UHFFFAOYSA-N 360.454 3.784 30 50 FHEA CC1(C)OB(c2cc(F)ccc2NC(=O)Oc2ccccc2)OC1(C)C 238791287 HKRFABDUQJIRHY-UHFFFAOYSA-N 357.190 3.736 30 50 FHEA C=CCN1C(=O)/C(=N\N=C\c2ccc3ccccc3c2O)c2ccccc21 821981 JTVXFAREUAIRMF-HSNZGUDMSA-N 355.397 3.901 30 50 FHEA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(N)=S)c1 2531509 GMKPXSWFOFUOJN-WSDLNYQXSA-N 363.442 3.535 30 50 FHEA Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 1171719 OVCOSEFDKFJBDA-UHFFFAOYSA-N 371.375 3.992 30 50 FHEA Cn1nc(C2CC2)c2c1NC(=O)C[C@@H]2c1ccc(-c2ccccc2C#N)o1 65371681 LYJOPLHUTMPJSS-OAHLLOKOSA-N 358.401 3.903 30 50 FHEA C=CCN(Cc1cccnc1)Cc1cccc(-c2nc(C)c(F)c(O)n2)c1 23478499 CRIZAUSTMPWQOT-UHFFFAOYSA-N 364.424 3.880 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=NNC(N)=S)CC[C@@]43C)[C@H]1CC[C@@H]2O 252680295 YSALUCJHTGLMGQ-DSMODRFPSA-N 363.571 3.579 30 50 FHEA biogenic Cc1ccc(CN2CCN(/N=C/c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 19826041 IJGDMKKJKYZMNX-FYJGNVAPSA-N 372.856 3.708 30 50 FHEA N#Cc1ccc2cc(C(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)ccc2c1 1875263739 WWLRNZREROUMRI-IBGZPJMESA-N 368.795 3.967 30 50 FHEA C=CCO[C@H](C)c1nc(-c2ccc(N(C)CC)cc2)nn1CC(C)(C)CO 1875348348 OBAKZNZMIUVIJG-MRXNPFEDSA-N 372.513 3.683 30 50 FHEA Cc1nn(CCO)cc1-c1cc(-c2ccc3ccccc3c2)nc(N)c1C#N 67691698 HKINOVGHIFIXDQ-UHFFFAOYSA-N 369.428 3.520 30 50 FHEA Cc1cccc(NC(=O)c2cccc(CN(C)C[C@@H]3CCCO3)c2)c1C#N 67754657 JFZHRNKVHXNEBL-IBGZPJMESA-N 363.461 3.730 30 50 FHEA CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4502171 HKBKHPJLXFAESV-CQSZACIVSA-N 357.450 3.731 30 50 FHEA C[C@H](C1CC1)N(Cc1ccccc1)/C(O)=N/[C@@H]1CCO[C@]2(CCOC2)C1 329140159 JGYYHZJPMSVFDD-OZOXKJRCSA-N 358.482 3.539 30 50 FHEA CCCOc1c(/C=C2\CCc3[nH]c(=O)ccc3C2=O)cccc1OCC 178330758 HELAUEVGKVGJGE-BUHFOSPRSA-N 353.418 3.775 30 50 FHEA CO[C@H]1CCCN(C(=O)c2ccc(-c3nc(C(C)C)ccc3C#N)cc2)C1 584897655 SLOOZLYDDALJBM-IBGZPJMESA-N 363.461 3.995 30 50 FHEA Cc1cccc(/N=C2/NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)n1 13479801 IGJBAVRAVZQXCW-CYBMUJFWSA-N 365.380 3.871 30 50 FHEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccccc3F)o2)cc1 170623825 JCSOTUPZYDJORX-UHFFFAOYSA-N 356.378 3.635 30 50 FHEA N#CC[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)c1ccco1 20404955 GEQZFCBKMPMODE-JTQLQIEISA-N 373.718 3.898 30 50 FHEA CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1ccc(C#N)s1)CC2 275690316 MNVWUDGZUIAQAE-MRXNPFEDSA-N 358.536 3.563 30 50 FHEA Cc1nc2cc(/N=C(\O)Nc3ccc(N4CCOCC4)cc3)ccc2o1 800365 IPGSBPATPYTEIR-UHFFFAOYSA-N 352.394 3.630 30 50 FHEA CCCN(CC#Cc1ccccc1)C(=O)Cn1c(=O)cc(C)c2ccccc21 65386335 UQQIGBKPYUUBTN-UHFFFAOYSA-N 372.468 3.600 30 50 FHEA COc1ccccc1[C@H](C)/N=C(/O)Cn1cc(-c2ccccc2)ncc1=O 328593805 LHLDWWNOKQDILA-HNNXBMFYSA-N 363.417 3.637 30 50 FHEA N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 239025573 BUFIZIKZFCQXPW-DPDCMNJDSA-N 358.463 3.574 30 50 FHEA Cc1nn(-c2ccccc2)c(C)c1C=NN1CCN(Cc2ccccc2)CC1 252429345 FOORCIAZMIWALX-UHFFFAOYSA-N 373.504 3.641 30 50 FHEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2)cc1 13124629 QACQTXVGMYXTPG-KKSFZXQISA-N 372.428 3.702 30 50 FHEA N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)c1cccc([N+](=O)[O-])c1 4725329 UZAMIRJVMWKXLS-UHFFFAOYSA-N 368.176 3.573 30 50 FHEA C/C(=N\N=C1/NC(=O)[C@@H](Cc2cccc(Cl)c2)S1)c1ccccc1 5214327 IKPPKMQPBIEQQV-SVZNOHIVSA-N 357.866 3.894 30 50 FHEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(N(C)C)cc1 5795199 QHKWCQWGPVIWSS-XDHOZWIPSA-N 353.451 3.564 30 50 FHEA Fc1cc(F)cc(CN=c2nc(C(F)(F)F)cc(C(F)(F)F)[nH]2)c1 2325899479 GOPDEUGEMGGLAF-UHFFFAOYSA-N 357.204 3.826 30 50 FHEA C[C@H](/N=C(/O)[C@H]1C[C@@]12CCOc1ccc(F)cc12)c1nnc2n1CCCC2 328606286 QYSMCIIFMRZBDP-PGICJIBASA-N 370.428 3.511 30 50 FHEA COc1ccc(OCCC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 435349198 HFDOXZPJYZFAHQ-UHFFFAOYSA-N 354.406 3.762 30 50 FHEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1 2325808216 GIDRBJXVBNFAFU-ZHRRBRCNSA-N 373.493 3.834 30 50 FHEA N#C[C@H]1CCCN(C(=O)c2cccc(-c3cnn(Cc4ccccc4)c3)c2)C1 426489929 PUYPKWNGTRFZRU-LJQANCHMSA-N 370.456 3.974 30 50 FHEA N#Cc1ccc(NC(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)cn1 299771610 RNNMMDXARFUDTC-FQEVSTJZSA-N 363.465 3.520 30 50 FHEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc(OC)c1OC 6166212 HMDPJGYLPDGLRM-YBFXNURJSA-N 370.434 3.516 30 50 FHEA N#CCCC[C@H](NCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1 2325746761 JAWNQEMEZVTNBR-FQEVSTJZSA-N 363.461 3.975 30 50 FHEA C=CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccccc1 9189716 RDFFTXVOAZTDIE-HZPDHXFCSA-N 370.522 3.728 30 50 FHEA COc1ccc(NC(=O)COc2ccc3c(C#N)c4ccccn4c3c2)cc1 1403768 YNDUHRCKDKCZPM-UHFFFAOYSA-N 371.396 3.990 30 50 FHEA Cn1cc(/C(O)=N/[C@@H]2CCOC3(CCOCC3)C2)c(C2CCCCC2)n1 330203926 CJKSETDDFGGOIL-MRXNPFEDSA-N 361.486 3.501 30 50 FHEA CCN1C(=O)/C(=C\c2cn(CCC#N)nc2-c2ccccc2)SC1=S 5049960 GRTPEWWGHMAKMI-RVDMUPIBSA-N 368.487 3.685 30 50 FHEA Cc1c(C#N)c(N2CCC([C@@H](O)c3cccnc3)CC2)nc2ccccc12 1857670750 YLYFKWZYBIZLIK-OAQYLSRUSA-N 358.445 3.760 30 50 FHEA C#CCCC1(CCC(=O)N2CCN(CC(F)(F)F)c3ccccc32)N=N1 952879596 FTORUMCGHAWJCP-UHFFFAOYSA-N 364.371 3.758 30 50 FHEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2F)cc1 6819749 SHNSJIYHHFCBLI-RHSMWYFYSA-N 365.404 3.839 30 50 FHEA COc1ccc(CNCC2(c3ccccc3C)CCOCC2)cc1C#N 237370802 JLHJPSBDKTXNGG-UHFFFAOYSA-N 350.462 3.713 30 50 FHEA N#Cc1ccc(CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)cc1 95368458 SOZKEJQINVLUGT-UHFFFAOYSA-N 352.397 3.803 30 50 FHEA C=C(C)CNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O 12441745 PGHLTNBNZMITGY-UHFFFAOYSA-N 350.462 3.599 30 50 FHEA CCOc1cc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)ccc1O 5958740 ZEEPDJDINBKJQE-YBFXNURJSA-N 354.435 3.903 30 50 FHEA COc1ccc2c(c1)OCC/C2=N\OC(=O)c1cc(Cl)ccc1OC 4851325 DUOIRQCWDKWOGA-HMMYKYKNSA-N 361.781 3.701 30 50 FHEA Cc1ccc([C@@]23C[C@H]2CN(c2cc(Br)cnc2C#N)C3)cc1 2325867010 HPQLNIPBAPLARV-KSSFIOAISA-N 354.251 3.802 30 50 FHEA C=CCn1nc(C)c(CN2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2)c1C 67473381 BNFPGPDZPTVHNL-NRFANRHFSA-N 365.456 3.696 30 50 FHEA N#CCOc1cc(F)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1 120776651 GRSFRRIKXQYIMX-UHFFFAOYSA-N 370.771 3.819 30 50 FHEA C=CCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OC)c(OC)c1 3672380 FSDMDULTYNHURX-UHFFFAOYSA-N 374.824 3.525 30 50 FHEA C=C(C)CN1CCN(c2cc(C)nc3c(C)c(-c4ccccc4)nn23)CC1 40216609 LUNWKOVPNAIRMD-UHFFFAOYSA-N 361.493 3.711 30 50 FHEA Cc1noc(-c2cc(Cl)ccc2OCC(=O)Nc2cccc(C#N)c2)n1 170602021 QIQFXGSISLYFFQ-UHFFFAOYSA-N 368.780 3.588 30 50 FHEA CN(C(=O)OCc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169936690 NLZRNRXPMFFWBL-UHFFFAOYSA-N 367.254 3.759 30 50 FHEA COc1cncnc1N=C(O)c1c(-c2c(F)cccc2Cl)noc1C 328595311 QVTZMEIHMWHSCB-UHFFFAOYSA-N 362.748 3.877 30 50 FHEA N#Cc1c(N2CCC(c3ncc[nH]3)CC2)nc2c(c1C#N)CCCCCC2 225455673 KVECOPRZBFJMCL-UHFFFAOYSA-N 360.465 3.591 30 50 FHEA C=CCOc1ccc(CN2CCC[C@@H]2c2nonc2C)c(OCC=C)c1 55341381 ATHUMBJOJZGNIF-GOSISDBHSA-N 355.438 3.845 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)o1 952987311 LGSGUSOGNBEDLG-SFHVURJKSA-N 355.409 3.909 30 50 FHEA CCOc1cccc(CN(CC)C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 952980625 DTNMBSQIPAWSRM-UHFFFAOYSA-N 365.473 3.870 30 50 FHEA C#CCCC1(CCC(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)N=N1 2325892287 HXCFWXDWLXKULW-INIZCTEOSA-N 363.465 3.933 30 50 FHEA C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1 4814612 BUCKUYFXILBDNP-LBPRGKRZSA-N 371.491 3.707 30 50 FHEA Cc1ccccc1-n1c(C)cc(C(=O)Cn2c(C)nc(C#N)c2C#N)c1C 155248760 NTTBMPYCOWDKHX-UHFFFAOYSA-N 357.417 3.534 30 50 FHEA N#Cc1c(-c2ccc(OCCO)cc2)cc(-c2c[nH]c3ccccc23)nc1N 71757188 DYGXOSLRQICTOH-UHFFFAOYSA-N 370.412 3.722 30 50 FHEA N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)cc1F 333931349 ZXOABVOCRGKRJR-SFHVURJKSA-N 370.449 3.656 30 50 FHEA Cc1cccn2c(=O)c(/C=N/Nc3ccccc3)c(NCc3ccco3)nc12 4134591 ZCYPMAQJCQUWCT-OEAKJJBVSA-N 373.416 3.654 30 50 FHEA CC1(C)COc2c(/C(O)=N/CC3CCN(c4ccncc4)CC3)cccc21 329845360 LQXPXZALLZSRMS-UHFFFAOYSA-N 365.477 3.973 30 50 FHEA Cn1nc(CC/N=C(/O)N2CCc3cc(Cl)ccc3C2)c2ccccc21 330041769 GHONIACXOGCEMU-UHFFFAOYSA-N 368.868 3.742 30 50 FHEA Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 252463480 XMQIYVCNLMJDDP-UHDSXZAQSA-N 357.523 3.992 30 50 FHEA C=CCn1cc(CN2CCO[C@@H](Cc3cccc4ccccc34)C2)c(C)n1 71752017 FLJGUEXOKXJIJZ-QFIPXVFZSA-N 361.489 3.974 30 50 FHEA Cc1nc(O)c(C#N)cc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71765264 BRPVVJHQHZABAO-INIZCTEOSA-N 367.424 3.591 30 50 FHEA Cc1cccc([C@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)N(C)C)c1 91695830 VBNWBCOBDAZNTC-JOCHJYFZSA-N 361.489 3.876 30 50 FHEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccncc1 5649190 MZCKGPWIGOCOEV-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA CC(C)C#CC(=O)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952894564 RSICWCKWMNYASQ-UHFFFAOYSA-N 351.425 3.648 30 50 FHEA CSc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 1427976 BGACWAYXQVWCTC-OAHLLOKOSA-N 358.507 3.844 30 50 FHEA C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C)O1 1140722 JOHLRDQAOQGMSI-HUUCEWRRSA-N 352.459 3.959 30 50 FHEA C=CCn1c(=O)c(CN[C@H]2CCOC(C)(C)C2)cc2cc3c(cc21)CCC3 12191537 GSMDPQNHOVQTSM-FQEVSTJZSA-N 366.505 3.723 30 50 FHEA CCN1CCC[C@@H](CN(C)[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 328632998 LRWRZNFWYNOBAN-RBDMOPTHSA-N 365.525 3.758 30 50 FHEA C/C(=N\S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(C)c(O)c(C)c1 4619033 OVNXKRWYTZSOCO-UHFFFAOYSA-N 352.843 3.882 30 50 FHEA C=CCSc1ccccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 7499545 OGOYKMGRYHVJIN-UHFFFAOYSA-N 368.502 3.936 30 50 FHEA C=CCn1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2C)c(C)n1 65423672 BQJGJHJMYDFXSW-INIZCTEOSA-N 361.449 3.654 30 50 FHEA CCc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)s1 4322195 VMFJFMWTYMQKSL-OVCLIPMQSA-N 350.356 3.582 30 50 FHEA CC(C)(C)c1nn(Cc2ncccc2C(F)(F)F)c(O)c1CCC#N 431858981 MDWDEXBELPPRQP-UHFFFAOYSA-N 352.360 3.804 30 50 FHEA C=CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)C(=O)NC1=S 1225831 ITKNEHFDKYUSHX-CPNJWEJPSA-N 372.449 3.806 30 50 FHEA C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Cl)c(Cl)c1 4185170 ONZUXVSQVIRFNF-ZDUSSCGKSA-N 357.262 3.515 30 50 FHEA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4913894 NZADYMNDCSKBCT-TZMCWYRMSA-N 368.414 3.661 30 50 FHEA Cc1noc([C@@H]2CCN(C(O)=Nc3ncc(C4CCCCC4)s3)C2)n1 328955111 ITGFRWPZJXDRJG-CYBMUJFWSA-N 361.471 3.917 30 50 FHEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1 17075366 MONBCPSRXDYPCK-MKFNJMOCSA-N 366.870 3.872 30 50 FHEA COc1cccc(NC(=O)CCC2CCN(c3cccc(C#N)n3)CC2)c1 95496890 NGPDZMYOAJFKDL-UHFFFAOYSA-N 364.449 3.597 30 50 FHEA C=C(C)C(=O)O[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CC(O)(C(F)(F)F)C(F)(F)F 256166022 VRGGMPGFYAQUIC-UKKRHICBSA-N 360.294 3.766 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=NNC(N)=S)CC[C@@]43C)[C@@H]1CC[C@@H]2O 253534081 YSALUCJHTGLMGQ-NWSQPLAPSA-N 363.571 3.579 30 50 FHEA biogenic COc1ccc(/C=N/c2ccccc2-c2nnc(=S)[nH]c2O)cc1OC 3189764 YKLNXOOVLLGTTO-VXLYETTFSA-N 368.418 3.675 30 50 FHEA Cc1cccn2c(CC(=O)N(Cc3ccccc3)C3(C#N)CCC3)cnc12 1875367255 HZBIMPPLWNNVPW-UHFFFAOYSA-N 358.445 3.660 30 50 FHEA CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCC3)n1 4810466 QEWSASOPRUUNOC-UHFFFAOYSA-N 364.883 3.916 30 50 FHEA OC(=NN=C(O)c1ncsc1Br)c1cccc(Cl)c1 328592533 LVQLIMIHIWAFOQ-UHFFFAOYSA-N 360.620 3.783 30 50 FHEA CSc1cccc(CN2CC(=O)N(c3ccccc3C#N)C[C@H]2C)c1 82109609 PNPUPEWDFLXTDW-OAHLLOKOSA-N 351.475 3.517 30 50 FHEA C=CCN(CC=C)Cc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 12205954 GAKLPYHMFGILJV-JOCHJYFZSA-N 372.553 3.865 30 50 FHEA Cc1cc(OCC(=O)O/N=C(\N)c2ccc(Cl)cc2)ccc1Cl 4725341 WCGIKCDXBNNMKF-UHFFFAOYSA-N 353.205 3.544 30 50 FHEA Cn1c([C@@H]2CCCN2C/C(O)=N/C2(C#N)CCCCC2)nc2c1CCCC2 328625834 DNQMQXHNZMJUIM-SFHVURJKSA-N 369.513 3.619 30 50 FHEA C[C@H](O/N=C(/N)CN1[C@@H](C)CCC[C@H]1C)c1ncc(-c2ccccc2)o1 253428217 INJPYFITTQUGEO-XHSDSOJGSA-N 356.470 3.954 30 50 FHEA Cc1ccc2ncc(C#N)c(N3CCC4(CC3)C[C@H]4c3nnc(C)o3)c2c1 366110660 JHTSDALKXRXISZ-KRWDZBQOSA-N 359.433 3.880 30 50 FHEA CC(C)=C1Oc2c(ccc(O)c2CN2CCO[C@H](c3ccccc3)C2)C1=O 218070815 UGMHFFMCEMNSFA-IBGZPJMESA-N 365.429 3.835 30 50 FHEA biogenic N#Cc1ccc(-n2nccc2NC(=O)CCc2ccc3[nH]ccc3c2)cc1 180761469 NPVYSXADNBYJNW-UHFFFAOYSA-N 355.401 3.797 30 50 FHEA C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccccc2)S1)c1ccc(Cl)cc1 5214335 GVZQMKQFOPTAKT-SVZNOHIVSA-N 357.866 3.894 30 50 FHEA CCOc1ccc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)cc1 5900131 QCHRNTIZOTVPKO-XDHOZWIPSA-N 354.435 3.897 30 50 FHEA C=CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583157 FNCSRFHDUZYOCR-NRFANRHFSA-N 351.402 3.945 30 50 FHEA in-vitro CC1(C)Cc2c(cnn2-c2ccccc2Cl)CN(CCOCCC#N)C1 952895305 ZQVKFPMGZGFGCZ-UHFFFAOYSA-N 372.900 3.840 30 50 FHEA N#Cc1c(C(F)(F)F)csc1CNc1cccc2c1OCC(=O)N2 2325868851 NECYXZNBXAYZJK-UHFFFAOYSA-N 353.325 3.582 30 50 FHEA C#CCCC1(CCNC(=O)C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N=N1 2325901041 RIQHVZGLGXYACC-IHWFROFDSA-N 364.493 3.511 30 50 FHEA C=CCOc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1OCC 55383136 YIGUPIKGMOSYIG-UHFFFAOYSA-N 352.434 3.850 30 50 FHEA Cc1cc(C(F)F)nc(SCn2cc(Br)cn2)c1C#N 2783910 ZHJKQXHTOOUAKZ-UHFFFAOYSA-N 359.199 3.908 30 50 FHEA C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(-c3ccccc3C#N)cc2)C1 426563405 QSQKQYQQJYMYEG-QGZVFWFLSA-N 359.473 3.924 30 50 FHEA N#Cc1ccc(NC(=O)NCC[C@H]2CCCCN2Cc2ccccc2)cn1 299771613 RNNMMDXARFUDTC-HXUWFJFHSA-N 363.465 3.520 30 50 FHEA C[C@@H](N=c1ccc(C(F)(F)F)c(C#N)[nH]1)c1noc(Cc2ccccc2)n1 409717288 PUWTYDPYIIINJE-LLVKDONJSA-N 373.338 3.541 30 50 FHEA C#CCCC1(CCC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)N=N1 952880197 JLGZAXFWIFLZGV-ZDUSSCGKSA-N 362.836 3.530 30 50 FHEA O=C1c2ccccc2C(=O)N1CNc1ccccc1C#Cc1ccccc1 4608194 SSVSGMQGQSUSJX-UHFFFAOYSA-N 352.393 3.752 30 50 FHEA CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101895071 NQIGULMINLBOAR-HOKRVXKHSA-N 374.440 3.770 30 50 FHEA N#CC1(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCCC1 225495382 UAJPWRLMCULMBV-UHFFFAOYSA-N 351.230 3.637 30 50 FHEA Cc1nc2ccccc2n1CC/N=C(/O)N1CCC(c2nccs2)CC1 328709159 BHSSIKBSDWGXBH-UHFFFAOYSA-N 369.494 3.595 30 50 FHEA CC/N=C(/O)C[C@@H]1CCCCN1C(=O)c1nc(C2CC2)n2ccccc12 329090374 WMMHFPDNNFMSRJ-HNNXBMFYSA-N 354.454 3.573 30 50 FHEA COc1cccc(-c2ccnc(OC)c2C#N)c1C(=O)N(C(C)C)C(C)C 96141888 IYIPSRZWWUOWPS-UHFFFAOYSA-N 367.449 3.896 30 50 FHEA Cc1ccc(N2CCC(N3CCN(c4ccccc4C#N)CC3)CC2)cc1 1506424303 BLHYOUMMKPXFJP-UHFFFAOYSA-N 360.505 3.658 30 50 FHEA C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N\N=C\c1ccco1 5008815 XKBNQNLRNWATHJ-OJYKYLQSSA-N 353.447 3.651 30 50 FHEA C=CCC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 11760816 NGSUYPDTJXSJDW-FQEVSTJZSA-N 374.500 3.621 30 50 FHEA COCOc1ccc(SC(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 169951897 QDFYYVPYIALXHO-UHFFFAOYSA-N 364.194 3.580 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](Cc2cccc(C)c2)[C@@H]2CCCO2)N=N1 2325893132 XMHUGNYSVMCSTF-MOPGFXCFSA-N 353.466 3.557 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(OCCN3CC[C@@H](C)C3)cc2)N=N1 2325892652 VPHCJUPCOBUODV-QGZVFWFLSA-N 368.481 3.701 30 50 FHEA COc1cc2c(cc1OC)/C(=N\N=C\c1ccc(F)cc1)NC(C)(C)C2 4977659 WRKOJISTDFVTLT-WSDLNYQXSA-N 355.413 3.548 30 50 FHEA COCc1cc(C)nc2sc(C(=O)Nc3ccc(CC#N)cc3)c(N)c12 1080164 KUXUKUZEFMEBQZ-UHFFFAOYSA-N 366.446 3.652 30 50 FHEA CN(Cc1ccccc1)C(=O)CCN1CCC(C#N)(c2ccccc2)CC1 244608506 FDXWGAZFYBFZMG-UHFFFAOYSA-N 361.489 3.592 30 50 FHEA Cc1c2ccc(NC(=O)N3CCc4c(CC#N)cccc4C3)cc2nn1C 888100311 QJYWPXHXXUNDKA-UHFFFAOYSA-N 359.433 3.538 30 50 FHEA CO[C@H](C)c1nc(CN(C)c2nc3cc(Cl)ccn3c2C#N)cs1 2325724075 XVGACKQXQOQPIV-SNVBAGLBSA-N 361.858 3.660 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCC 865502 CNIRCXQRNBPBCH-IBGZPJMESA-N 355.434 3.616 30 50 FHEA C=CCn1c(=N)n(CC(=O)c2ccc(Br)cc2)c2ccccc21 20806300 IBJMSIFERLNANW-UHFFFAOYSA-N 370.250 3.754 30 50 FHEA C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 4413697 HQSZEMNMYLSXGT-HNNXBMFYSA-N 352.434 3.645 30 50 FHEA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 4857317 UAHLQBDVTZIETF-APPDUMDISA-N 354.431 3.666 30 50 FHEA Cc1ccc2c(C(=O)N3CCC[C@H](C#N)C3)cc(-c3cncnc3)nc2c1C 63855721 GBKKGYSEIXLJOR-MRXNPFEDSA-N 371.444 3.684 30 50 FHEA CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccc(C#N)cc1)CC2 95385893 WINZOMSADWIXSL-NRFANRHFSA-N 359.473 3.539 30 50 FHEA O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1Cc1ccc(Cl)cc1Cl 100324199 BKUZHIPLKWHDDM-JXAWBTAJSA-N 366.160 3.627 30 50 FHEA C=CCc1cc(C(=O)Nc2ccc(C(=O)NCC)cc2C)ccc1OC 952961371 MXCAKVDMDVAICT-UHFFFAOYSA-N 352.434 3.734 30 50 FHEA N#Cc1ccc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1F 225536765 TWSIGULIBTWMCW-CYBMUJFWSA-N 352.335 3.819 30 50 FHEA C/C(=C\c1ccccc1)[C@@H]1O[C@@]23CCCC[C@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 252694967 SLMBFNKRZZTIAJ-KRPAXIBBSA-N 372.428 3.926 30 50 FHEA O=C(/C=C/c1ccco1)C[C@]1(O)C(O)=Nc2ccc(Br)cc21 1255514 ZUEDAGBPQYPQOZ-DWTRPJMMSA-N 362.179 3.504 30 50 FHEA COc1ccc(/C(C)=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 20191621 JXNXMJAMKXYMMK-CJLVFECKSA-N 357.885 3.890 30 50 FHEA CC1(C)C(O)=Nc2cc(/C(O)=N/[C@@H]3CCC(O)=N[C@@H]3[C@@H]3CCCO3)ccc21 329121848 QTAOCMHIRCBPAU-KMFMINBZSA-N 371.437 3.537 30 50 FHEA N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2 365619456 MEDLBDKZIHNSLO-QUCCMNQESA-N 374.444 3.875 30 50 FHEA CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NC2CCCCC2)C1=O 8676799 QTVFMUAMTKEIME-QINSGFPZSA-N 353.418 3.796 30 50 FHEA Cc1noc([C@H](/N=C(/O)C[C@@H](C)c2c(C)noc2C)C2CCOCC2)n1 329141405 UGCDSNLNWDZEJX-BMLIUANNSA-N 362.430 3.601 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)o1 952987310 LGSGUSOGNBEDLG-GOSISDBHSA-N 355.409 3.909 30 50 FHEA COc1cc2c(cc1[N+](=O)[O-])C(=O)/C(=C\c1cc(F)c(O)c(F)c1)CC2 170653940 BWRLDKOVGHOGLG-WCIBSUBMSA-N 361.300 3.800 30 50 FHEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cc(COc2ccc(C)nc2)on1 208464554 PVARKFMUWVBKAI-HOTGVXAUSA-N 353.422 3.692 30 50 FHEA COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(C)(=O)=O)n2)cc1 1141624 JZJVKNNCAUWHIL-UHFFFAOYSA-N 364.426 3.699 30 50 FHEA C=CCNc1ccccc1C(=O)NCc1c[nH]nc1-c1ccc(OC)cc1 55405113 VSUWYTIKNKVWJU-UHFFFAOYSA-N 362.433 3.613 30 50 FHEA COc1cccc(-c2cn[nH]c2C2CCN(c3cccc(C#N)n3)CC2)c1 67833530 GPJFWKZGZLCMTA-UHFFFAOYSA-N 359.433 3.736 30 50 FHEA N#CC1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CCC1 129451711 YIAIBBGHBYMFQH-UHFFFAOYSA-N 361.161 3.778 30 50 FHEA C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 8686355 PINAWXPROPBDBN-UHFFFAOYSA-N 368.524 3.639 30 50 FHEA C=CCN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S 12343670 MKZUQXYFATULBG-YRNVUSSQSA-N 356.266 3.542 30 50 FHEA C#CCCC1(CCC(=O)N2CCC[C@]3(CCc4ccccc4O3)C2)N=N1 952879206 BPSNBSLWMUGLBN-FQEVSTJZSA-N 351.450 3.729 30 50 FHEA Cc1cc(Cl)ccc1OCC(=O)O/N=C(\N)c1ccccc1Cl 4588858 HTKPACKQXYWPIA-UHFFFAOYSA-N 353.205 3.544 30 50 FHEA CC1(C)OB(c2cc([N+](=O)[O-])c(NC3CCCCC3)cc2F)OC1(C)C 170003605 DLMRJCDSPIDADW-UHFFFAOYSA-N 364.226 3.778 30 50 FHEA C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 4912002 KYYTVAWZNKHZGX-HNNXBMFYSA-N 353.418 3.977 30 50 FHEA CC1(C)CN(/C(O)=N/[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@@H]1c1ccncc1 330289470 DYXCGQIICZBKBS-MLHJIOFPSA-N 355.482 3.726 30 50 FHEA Cc1cccnc1CN1CCN(Cc2ccc(-c3ccccc3C#N)o2)CC1 72129524 FQGDYZVGWKLMTJ-UHFFFAOYSA-N 372.472 3.840 30 50 FHEA CCN1CC2(CCN(c3cc(C#N)ccn3)CC2)C[C@H](c2ccccc2)C1=O 91645863 XBPCCFUDOBRLFM-HXUWFJFHSA-N 374.488 3.576 30 50 FHEA Sc1nnc(-c2ccncc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1249010 CWOIDUKTLAKVKE-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(OC(F)(F)F)cc2)cc1 1192351 IJBDSWPUQTWHLB-UHFFFAOYSA-N 374.340 3.608 30 50 FHEA C#CCCC1(CCC(=O)Nc2cc(NC3CCN(C)CC3)ccc2C)N=N1 2325892264 GWJCBOPXBANCOC-UHFFFAOYSA-N 367.497 3.795 30 50 FHEA Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccco3)o2)cc1 2479148 XALAELBBPKPPOK-UHFFFAOYSA-N 354.387 3.591 30 50 FHEA CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 20028820 AVCCPECDVWFPJW-HXUWFJFHSA-N 368.452 3.806 30 50 FHEA CCC/C(=N/O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 22130666 IJWKJJRPTPLORE-JWGURIENSA-N 372.421 3.943 30 50 FHEA COc1ccc(N=C(O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(C)n1 328596632 JZDIAACNNZTQNB-UHFFFAOYSA-N 350.762 3.926 30 50 FHEA CC(C)c1nnc([C@@H](C)NC(=O)c2ccc(-c3cc(C#N)ccn3)cc2)o1 426504409 CORDWMRJCIHILX-CYBMUJFWSA-N 361.405 3.618 30 50 FHEA CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 244633609 GFUVCRKEKDTQLI-UHFFFAOYSA-N 358.829 3.794 30 50 FHEA N#CC1(C#N)[C@H](c2ccco2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]21 13510286 IBMRZRRRACSWAL-XUVXKRRUSA-N 355.397 3.660 30 50 FHEA CC1(C)OB(c2cc(OC3CCOCC3)cc(C(F)(F)F)c2)OC1(C)C 169936552 SJAHTTWVNOBUEO-UHFFFAOYSA-N 372.192 3.562 30 50 FHEA N#Cc1ccccc1CN1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356149923 YLPPQKXWOQXJCI-XMMPIXPASA-N 373.500 3.758 30 50 FHEA Cn1ncc2c(C(=O)Nc3sc4c(c3C#N)CCC4)cc(C3CC3)nc21 20606960 RQKOTWSTIIJQQI-UHFFFAOYSA-N 363.446 3.520 30 50 FHEA CCOc1cccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)c1O 5574100 VHMUGCRLGCUCQW-YBFXNURJSA-N 354.435 3.903 30 50 FHEA Cc1sc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(C#N)c1C 1061006 KRIGMNYKZNULRZ-UHFFFAOYSA-N 368.414 3.669 30 50 FHEA biogenic CC(=O)N(Cc1ccc(F)cc1)C1=C(Cl)C(=O)c2ccccc2C1=O 4108599 RBHSGUJNAQHYGS-UHFFFAOYSA-N 357.768 3.704 30 50 FHEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1Cl 218207333 CYLMULIHIBZPLB-CQSZACIVSA-N 370.788 3.878 30 50 FHEA C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)/C(O)=N/C12CC3CC(CC(C3)C1)C2 328671787 HOEHKGJLSQWDBH-QSEJOJBBSA-N 358.526 3.847 30 50 FHEA C=CCc1cc(Cl)ccc1OCCOCCN1C[C@H](C)O[C@H](C)C1 16247677 YGSMKKXXHUIXGQ-IYBDPMFKSA-N 353.890 3.573 30 50 FHEA CCC(=O)N[C@H](C(=O)N1CCC(C#N)(C2CCCC2)CC1)c1ccccc1 1875320707 VSPNIHOCRRDXTQ-FQEVSTJZSA-N 367.493 3.576 30 50 FHEA CCOc1ccccc1-c1n[nH]c2c1CN(c1nc(C)ccc1C#N)CC2 23505213 DFVOSRROBIWZAX-UHFFFAOYSA-N 359.433 3.613 30 50 FHEA COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 4914493 RZLMPRHWZONEBB-QAPCUYQASA-N 365.404 3.839 30 50 FHEA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc(C#N)cc1)CC2 95385894 WINZOMSADWIXSL-OAQYLSRUSA-N 359.473 3.539 30 50 FHEA N#Cc1ccc2c(Cl)c(S(=O)(=O)c3ccc(F)c(F)c3)cnc2c1 263617081 LZKVNROTGGQFKL-UHFFFAOYSA-N 364.760 3.871 30 50 FHEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 2801442 ACMKZIKGKBAYMZ-IBGZPJMESA-N 355.434 3.616 30 50 FHEA COc1cccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)c1OC 6007375 OQEKDBNJRDOVQV-VXLYETTFSA-N 374.853 3.787 30 50 FHEA CC1(C)OB(c2cc(OCc3ccccc3)c(N)cc2Cl)OC1(C)C 170003776 HQDKXTOJSXLDRV-UHFFFAOYSA-N 359.662 3.800 30 50 FHEA Cc1cc(Sc2ccccn2)nc(NC=C2C(=O)c3ccccc3C2=O)n1 2562051 LQFNWZSNUSPOHJ-UHFFFAOYSA-N 374.425 3.706 30 50 FHEA CCCCCCCN1C(=O)/C(=C2\SC(=S)NC2=O)c2ccccc21 95670891 IXVACPKTPLOQRN-PFONDFGASA-N 360.504 3.863 30 50 FHEA Cc1ccc(C(=O)c2c(NC(=O)CSCC#N)sc3c2CCC3)cc1 192580386 XKJLSNJGPHXJNC-UHFFFAOYSA-N 370.499 3.972 30 50 FHEA C=CCN(C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)c1ccccc1 5083317 VRSGNELQHHXBEA-UHFFFAOYSA-N 359.429 3.970 30 50 FHEA COc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccccc3Cl)S2)cc1 18209229 LPHNDZLEDLCRMT-YODDIOPGSA-N 373.865 3.513 30 50 FHEA O=C1C(=O)c2ccccc2/C1=C/c1cccc(I)c1 2854285 OBVJZUDRRVXYLI-ZROIWOOFSA-N 360.150 3.597 30 50 FHEA C=CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1COc2c(cccc2OC)C1 55415004 KSQFHMTWVKIVJA-KRWDZBQOSA-N 355.409 3.600 30 50 FHEA COc1cc(/C=C/C(=O)c2cccnc2)ccc1OCCN1CCCCC1 6381039 KJZPYOXCKJLCIH-VQHVLOKHSA-N 366.461 3.851 30 50 FHEA O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 13477824 DPQWYLXGIKBTOQ-AWEZNQCLSA-N 361.810 3.710 30 50 FHEA CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)C#Cc3ccccc3)cc12 975720 KNDHLBTYCQAGON-UHFFFAOYSA-N 361.397 3.621 30 50 FHEA CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1F)C(C#N)C#N 1187574 TZPOYSKAFIWLLS-MOPGFXCFSA-N 367.355 3.556 30 50 FHEA C=CCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCC=C)cc2)cc1 3086111 IVVXDHZMWFWYIF-UHFFFAOYSA-N 364.449 3.892 30 50 FHEA N/C(Cc1cccc2ccccc12)=N\OC(=O)COc1ccccc1Cl 4725407 OOLDLCYVRJPAGK-UHFFFAOYSA-N 368.820 3.930 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OCC)cc1 7759719 PDEOPKSLHSWHIT-UHFFFAOYSA-N 363.417 3.964 30 50 FHEA Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2)cc1 1403651 AVWHDUALELPLAI-UHFFFAOYSA-N 350.443 3.726 30 50 FHEA biogenic CC[C@@H](C(=O)N1CCC(NCc2ccc(C#N)cc2)CC1)c1ccccc1 159910251 KJOXABVLTNVLRH-JOCHJYFZSA-N 361.489 3.833 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1F 19901603 BJTPAIUOFAXXRP-GOSISDBHSA-N 361.388 3.742 30 50 FHEA CCSc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)o1 4014588 VQSOOZRIVFOQDB-QGZVFWFLSA-N 361.463 3.841 30 50 FHEA N#CC1(c2ccccc2)CCN(C(=O)c2cccc(-c3ncc[nH]3)c2)CC1 97729781 QVPJFCIPOLWQAK-UHFFFAOYSA-N 356.429 3.774 30 50 FHEA CC1(C)OB(C2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)OC1(C)C 864235382 UOZLFPGXFYPTFL-UHFFFAOYSA-N 373.277 3.942 30 50 FHEA CC(C)O[C@@H](C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccccc1 1875366723 CYZIVCUMWWCNIY-QZTJIDSGSA-N 373.302 3.847 30 50 FHEA CO[C@@H](C)c1nc(CN(C)c2nc3cc(Cl)ccn3c2C#N)cs1 2325724074 XVGACKQXQOQPIV-JTQLQIEISA-N 361.858 3.660 30 50 FHEA COc1ccc(CCNC2=CC(=O)C[C@H](c3ccccc3)C2)cc1OC 4726006 BOQQABBLHPYUEI-GOSISDBHSA-N 351.446 3.867 30 50 FHEA Cc1cc([C@H](C(=O)O)N2CCC(C#N)(c3ccccc3)CC2)ccc1F 55308090 MVDREYSNHXRPSZ-LJQANCHMSA-N 352.409 3.817 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(Cl)cc1C)CC2 91756060 NAHQTSURLQLAHL-UHFFFAOYSA-N 360.885 3.679 30 50 FHEA Brc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1 4199575 MZLFNMMPGLCIBY-GIJQJNRQSA-N 367.210 3.715 30 50 FHEA C=C(C)CNc1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1 39515564 VWNKNQRUCPXULM-UHFFFAOYSA-N 352.394 3.804 30 50 FHEA COc1cccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)c1O 1478781 PXOYAOUDGNPTFH-GIJQJNRQSA-N 360.826 3.857 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](Cc2cccc(C)c2)[C@@H]2CCCO2)N=N1 2325893133 XMHUGNYSVMCSTF-OALUTQOASA-N 353.466 3.557 30 50 FHEA CN1CC[C@@H](CN[C@@H](/C(O)=N/C2CC2)c2ccccc2)[C@@H]1c1cccnc1 328655850 YVFWMOKKZDMMEX-TYPHKJRUSA-N 364.493 3.524 30 50 FHEA O=C1C[C@@H](c2ccco2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1 218008319 UHWBXVOSEKBZBW-DUPVFGOHSA-N 359.337 3.732 30 50 FHEA biogenic C=CCn1c(-c2ccccc2Cl)nn([C@H]2CC[C@H]3OC[C@H]2O3)c1=S 103002382 NSQTYYBKUNIREJ-ZNMIVQPWSA-N 363.870 3.997 30 50 FHEA CC(=O)N[C@H]1C[C@@H](c2cccc(C#N)c2)O[C@@H](c2cc(F)cc(F)c2)C1 65381212 SESGFCGVKDCIBX-SLFFLAALSA-N 356.372 3.934 30 50 FHEA CCCc1ccc(S(=O)(=O)N/N=C(\C)c2cc(Cl)ccc2O)cc1 17075370 XJMVOPVBFHSMPN-XDHOZWIPSA-N 366.870 3.701 30 50 FHEA CCO[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C12CCOCC2 302295621 XKWWWDUPDZWHCH-HZPDHXFCSA-N 354.372 3.963 30 50 FHEA CC[C@@H](/N=C(/O)[C@H]1C[C@@]12CCOc1ccc(OC)cc12)c1noc(C)n1 328605270 NAUMZAWTGWEWCC-SPYBWZPUSA-N 357.410 3.535 30 50 FHEA O=C(N=c1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH][nH]1)C1CCC(/N=C(/O)C2CC2)CC1 330012556 KTJBDQXGWQELEU-FAGNAMGNSA-N 370.497 3.599 30 50 FHEA CC1(C)CN(/C(O)=N/[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@H]1c1ccncc1 330289469 DYXCGQIICZBKBS-MHORFTMASA-N 355.482 3.726 30 50 FHEA C=CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccc(Cl)cc32)c2ccccc21 20064226 RBJBABBSMWIVDR-NRFANRHFSA-N 363.848 3.743 30 50 FHEA biogenic C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2C#N)C1 91602384 YHIYSKUWMZTUAH-JOCHJYFZSA-N 362.429 3.772 30 50 FHEA C=CCN1C[C@H](C)N(C(=O)c2cccc(-c3ccccc3CO)c2)C[C@@H]1C 1565529657 KCHYYSXVAGJVKS-ROUUACIJSA-N 364.489 3.567 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1coc(COc2cccc(OC)c2)n1 11844362 HFUNLCNEOWAPIF-HZPDHXFCSA-N 368.433 3.998 30 50 FHEA COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1OC 6007194 FCQLWCKKPSKFEI-VXLYETTFSA-N 374.853 3.787 30 50 FHEA C=CCNc1ccccc1C(=O)N1CCC[C@H]1c1ccc(C(=O)NC)s1 65397500 HDLRWAVQMGXGHY-INIZCTEOSA-N 369.490 3.683 30 50 FHEA Cc1nc([C@@H]2CCCN2/C(O)=N/[C@H](C)c2nc(C3CCCCC3)no2)no1 329346050 CCJJVHJHHMWMDE-RISCZKNCSA-N 374.445 3.621 30 50 FHEA Cc1ccc(-c2cc(-c3ccc(OC(C)C)c(CO)c3)c(C#N)c(N)n2)nc1 71416128 HADMYURTSGIVEG-UHFFFAOYSA-N 374.444 3.852 30 50 FHEA C=CCNC1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1 299760852 RTNSDWSXYNSECV-UHFFFAOYSA-N 365.477 3.692 30 50 FHEA CN(CC(O)=Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cn1 328592174 HLSCSCUETFGAEH-UHFFFAOYSA-N 370.211 3.817 30 50 FHEA CCOc1cccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 3899603 BZTUWLBJGYVUKO-IBGZPJMESA-N 369.461 3.862 30 50 FHEA C#CCCC1(CCC(=O)Nc2cc(F)cc(N3C[C@H](C)O[C@H](C)C3)c2)N=N1 2325892019 YQBSXGHMTAAYSY-GASCZTMLSA-N 372.444 3.734 30 50 FHEA C=CCN(C)C1CCC2(CC1)CCN(C(=O)c1ccccc1OC)CC2 67675185 FOCRJGDAOWDLKW-UHFFFAOYSA-N 356.510 3.978 30 50 FHEA CC(C)Cn1c(Sc2cnc(C#N)cn2)nnc1-c1ccccc1F 120972927 ZFAFDAYCZBQSKR-UHFFFAOYSA-N 354.414 3.553 30 50 FHEA Cc1ccc(-c2nnc(S)n2N=C/C=C\c2ccccc2[N+](=O)[O-])cc1 252429331 DHOLMHFYXLBMEV-HXNRNBTNSA-N 365.418 3.998 30 50 FHEA Clc1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Br 1197811 RBYNZXGGTOXOGC-NGYBGAFCSA-N 351.591 3.836 30 50 FHEA COc1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)cc1OC 1258705 SOMBXBTYQOUOBF-YBFXNURJSA-N 354.435 3.816 30 50 FHEA C=CCn1c(=S)[nH]c2scc(-c3ccc(OC)c(OC)c3)c2c1=O 628795 JSJSKWQUFVNPSJ-UHFFFAOYSA-N 360.460 3.991 30 50 FHEA CCCCn1c(=O)c(C(=O)Nc2ccccc2C#N)c(O)c2ccccc21 100672527 GSUTZTCEGPTAEB-UHFFFAOYSA-N 361.401 3.631 30 50 FHEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CCOC2(CCC2)C1 328715841 SYSSLXSWQULSHI-UHFFFAOYSA-N 351.450 3.781 30 50 FHEA CN(C)N1C(=O)C[C@@H](c2c(F)cccc2Cl)C2=C1CC(C)(C)CC2=O 1422737 DKTRTWBAOSFNPH-NSHDSACASA-N 364.848 3.915 30 50 FHEA C[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H](O)C=CC1=O 71769383 SRVMANVGDMJQHJ-ROUUACIJSA-N 359.219 3.805 30 50 FHEA CC(=O)O[C@@H]1C[C@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]21 254438765 FAGOJCSZVVRBFD-BSZVOWMXSA-N 374.477 3.602 30 50 FHEA CCCCOc1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1 169746316 KXZBSOUMYLRMPM-UHFFFAOYSA-N 355.081 3.927 30 50 FHEA in-vitro C#CCN(C(=O)c1nn(-c2ccccc2Cl)cc1C)c1nccs1 121409310 MMLWDJKZOOPVQD-UHFFFAOYSA-N 356.838 3.571 30 50 FHEA C[C@@H](c1nc2ccccc2[nH]1)n1cc(-c2ccc(C#CC(C)(C)O)cc2)nn1 91745344 NDFWKLFLKDYDFT-HNNXBMFYSA-N 371.444 3.553 30 50 FHEA CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 5445532 PUAJWFNNFSGBGQ-HNNXBMFYSA-N 372.218 3.657 30 50 FHEA CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 4936650 LVXXONBAVQJPQM-SFHVURJKSA-N 361.438 3.569 30 50 FHEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2F)cc1 6819741 SHNSJIYHHFCBLI-PBHICJAKSA-N 365.404 3.839 30 50 FHEA COc1cc(-c2cc(-c3cccc(C)c3)nc(N)c2C#N)cc(OC)c1O 67726586 VPIABZVGOZTUSG-UHFFFAOYSA-N 361.401 3.901 30 50 FHEA Cc1ncsc1-c1cc(-c2ccnn2-c2ccccc2)c(C#N)c(N)n1 71757296 BDYVVOKTHRNDSV-UHFFFAOYSA-N 358.430 3.820 30 50 FHEA CC#CCCCC(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 170597105 XKCRATUNTNCFLB-UHFFFAOYSA-N 350.422 3.535 30 50 FHEA Cc1ccc(-c2nnc(S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 252429321 CIULBBMAMMCPQW-UHFFFAOYSA-N 373.825 3.986 30 50 FHEA C[C@H](NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21)c1ccccc1 2532611 UFTPBBHPDJVSEG-IBGZPJMESA-O 370.476 3.855 30 50 FHEA CN1CCN(Cn2cc(/C=C/C(=O)c3ccccc3)c3ccccc32)CC1 20533503 XYFKJAJAPHELHU-VAWYXSNFSA-N 359.473 3.742 30 50 FHEA COc1ccccc1/N=C(\S)N1CCN(C/C=C/c2ccccc2)CC1 36385234 PWXLUYKVAVBBHX-JXMROGBWSA-N 367.518 3.944 30 50 FHEA N#C/C(=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2s1 33679503 DQNYRZOJMRUMRD-SFQUDFHCSA-N 353.319 3.757 30 50 FHEA Clc1ccc(=N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)[nH]n1 408526023 KTUCSWVZHDWDKR-VKZJTJHYSA-N 350.809 3.892 30 50 FHEA O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 1115625 BXFBPGZEDQHGMW-MDRMPYQZSA-N 373.408 3.687 30 50 FHEA CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccccc1 1185670 FNTCCJFCLGVJFD-LSHDLFTRSA-N 356.813 3.791 30 50 FHEA Cc1onc(CC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1C#N 332098408 BJNRINMASKFUFD-UHFFFAOYSA-N 361.804 3.538 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)N=N1 952881358 LRHOCFJLBZUQNO-GASCZTMLSA-N 372.444 3.734 30 50 FHEA COc1cccc(C2=CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 332069772 UVOQOLINSMWDMG-KRWDZBQOSA-N 367.493 3.515 30 50 FHEA Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 5017027 CZFHIKLBHWGYJC-FMIVXFBMSA-N 360.373 3.939 30 50 FHEA CC(C)c1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccccc3)S2)cc1 18209221 FZGRQACXVCDGLO-KOMLCTQHSA-N 351.475 3.974 30 50 FHEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccco1 252694714 OUCQPFCLFGZBQQ-HBMCJLEFSA-N 353.418 3.678 30 50 FHEA biogenic O=C1C=C(c2ccccc2)C[C@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])n1 1056519 YEFOINVAAQTTLT-IEBWSBKVSA-N 360.373 3.568 30 50 FHEA C=CCn1c(=O)c2c3c(sc2n2c(Nc4ccccc4)nnc12)CCC3 1098116 SVBJDMHRDCTBPW-UHFFFAOYSA-N 363.446 3.524 30 50 FHEA COCCN(Cc1ccc(C#N)cc1)c1nc(-c2ccccc2)ns1 122845269 KTBLIGJHBMJCDT-UHFFFAOYSA-N 350.447 3.730 30 50 FHEA Cn1cc(/C(O)=N/[C@H]2CCOC3(CCOCC3)C2)c(C2CCCCC2)n1 330203925 CJKSETDDFGGOIL-INIZCTEOSA-N 361.486 3.501 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cc(OC)cc(OC)c1 170618287 ZHORSRSJWUTTPD-FXAWDEMLSA-N 370.401 3.616 30 50 FHEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccc(F)cc1 6166057 JPOPGAFQUAETBP-FKTOWYLZSA-N 354.410 3.929 30 50 FHEA N#Cc1cnc2c(Cl)cccc2c1N1CCN[C@H](Cc2ccccc2)C1 1458554841 OZEYMSTWPVSONM-QGZVFWFLSA-N 362.864 3.781 30 50 FHEA C#CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br 2123446 TVHLFMJQGFAXSF-UHFFFAOYSA-N 367.198 3.924 30 50 FHEA CCCCCOc1ccc(/C=N/N=c2\[nH]n3cnnc3c3ccccc23)cc1 1812709 FBWCOWKDGGIXKK-HYARGMPZSA-N 374.448 3.714 30 50 FHEA N#Cc1cc(NC(=O)c2ccc(F)cc2)c(=O)n2c1sc1ccccc12 2891061 HTMSQXFYTAYIRT-UHFFFAOYSA-N 363.373 3.777 30 50 FHEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 4840311 FOMMXPFEEUDCSM-UHFFFAOYSA-N 372.490 3.701 30 50 FHEA C[C@@H](Oc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1)C(=O)O 215828903 JUTWYLUIILPASM-QGZVFWFLSA-N 364.445 3.596 30 50 FHEA C=CCc1cc(CN2CCC3(CCC(=O)N3C)CC2)ccc1OC(C)C 820505696 VYBLMGWTQVGJNC-UHFFFAOYSA-N 356.510 3.789 30 50 FHEA C#CCCC1(CCNC(=O)C[C@@]2(CC)CC(=O)c3ccccc3C2)N=N1 2325891399 DKISZCRSRHLLGI-HXUWFJFHSA-N 351.450 3.684 30 50 FHEA N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)C1CCN2CC1 1431976 NTZYPSNOKYRPJV-UHFFFAOYSA-N 368.437 3.521 30 50 FHEA N#Cc1c(-c2ccc3c(c2)OCO3)ccn2nc(-c3ccccc3F)nc12 4050942 JSDWTPGYBBQJGO-UHFFFAOYSA-N 358.332 3.803 30 50 FHEA O=[N+]([O-])c1cccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)c1 32236283 STZMEAFXWDJBIT-UKWGHVSLSA-N 353.407 3.924 30 50 FHEA Cc1ccsc1CN(CCN(C)C)C(=O)Nc1ccc(C#N)cc1F 299772129 YOCDLABRCICKNH-UHFFFAOYSA-N 360.458 3.663 30 50 FHEA C=CCN(Cc1cccc(OC)c1)C(=O)CC(=O)Nc1cccc(C)c1 1506414534 FFFAMDZMRUTLNT-UHFFFAOYSA-N 352.434 3.547 30 50 FHEA CC(=O)O[C@H]1CC[C@@]2(/C=N/O)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 1857743074 JIIVOVFNPCJNDJ-LRKXHULXSA-N 359.466 3.890 30 50 FHEA CC(C)(O)CCc1ccc2c(c1)CCN(Cc1cccc(C#N)c1F)C2 2325867216 OPUOUQLEBMRKJU-UHFFFAOYSA-N 352.453 3.959 30 50 FHEA O=C(/C=C\c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)c1ccccc1 100327336 RKZOLUFQUQJXJG-JTMOTCAKSA-N 369.420 3.894 30 50 FHEA C=CCn1nc(C)c(C(=O)N(C)CCCOc2c(C)cccc2C)c1C 55413729 GCSISTFVBCRHHF-UHFFFAOYSA-N 355.482 3.844 30 50 FHEA C=C(C)COc1ccccc1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 55403835 IOCLNUSXARSGRI-LJQANCHMSA-N 366.461 3.858 30 50 FHEA COc1ccc(N[C@@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)cc1OC 72166136 MLZLGKAZUGBVST-QGZVFWFLSA-N 366.465 3.668 30 50 FHEA CCCCCCCNC1=C(C(=O)CCC)C(=O)[C@H](C(=O)OC)C(C)(C)C1 100319794 PBBGNTOZCRYZCV-GOSISDBHSA-N 365.514 3.958 30 50 FHEA biogenic CCc1c(C)sc(NC(=O)c2cc(OC)c(OC)cc2OC)c1C#N 1054767 FHSDFGMZCBLKLH-UHFFFAOYSA-N 360.435 3.769 30 50 FHEA COc1cc(N=C(O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)ccn1 329462264 TWKTTXVTIDTNII-CYBMUJFWSA-N 372.494 3.851 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 18141574 IRSSDJFBLPUCMC-SFHVURJKSA-N 355.434 3.559 30 50 FHEA Cc1ccc2[nH]c(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c(C)c2c1 151347366 WNXRQCNXXAPIRG-IBGZPJMESA-N 372.472 3.635 30 50 FHEA N#Cc1cn(CC(=O)Nc2ccc(Br)cc2)c2ccccc12 678641 IWCQOHQTZKNGMF-UHFFFAOYSA-N 354.207 3.914 30 50 FHEA CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101021028 NQIGULMINLBOAR-LKUXTKQQSA-N 374.440 3.770 30 50 FHEA O=C(O)/C(=C/C(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 19848263 QNUXHSJOVXHJJR-UVTDQMKNSA-N 351.280 3.849 30 50 FHEA biogenic,in-vitro N#CCCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 5050497 JAXXNGNICSFUCZ-UHFFFAOYSA-N 361.361 3.624 30 50 FHEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)N=N1 952880265 DQJRQSJZGUBECW-HNNXBMFYSA-N 358.873 3.638 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)N=N1 2325886153 ZUPXOSLHCAENAP-INIZCTEOSA-N 363.465 3.584 30 50 FHEA COc1cc(C#N)ccc1Oc1cnn(-c2ccccc2)c(=O)c1Cl 4868189 FYQLZFIDZPQTHC-UHFFFAOYSA-N 353.765 3.558 30 50 FHEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cnc2cccc(C)n2c1=O 55183078 MEDSNBIACVWKAX-ROUUACIJSA-N 363.461 3.685 30 50 FHEA Cc1nc2nc(C#N)c(C#N)n2c(C)c1Cc1c(Cl)cccc1Cl 4023788 NYCBODPQDXTFJF-UHFFFAOYSA-N 356.216 3.987 30 50 FHEA N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 329776944 OOCIQCRINPZEIG-MOPGFXCFSA-N 362.429 3.760 30 50 FHEA C=CCN1C[C@H](C(=O)N(Cc2ccccc2)CC2CCCCC2)CC1=O 820474892 WRFDMTNUFCQPDH-HXUWFJFHSA-N 354.494 3.630 30 50 FHEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 4590927 YFWZVQMTKBZPCO-IBGZPJMESA-N 364.401 3.836 30 50 FHEA COc1ccc(OC)c(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)c1 5907093 YFUFPZWTMOROPX-YBFXNURJSA-N 370.434 3.516 30 50 FHEA Cc1cccc(/N=C(/NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)c1 3771820 XDWSZRMDSLREJN-UHFFFAOYSA-N 359.433 3.931 30 50 FHEA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/Cc1cccnc1 328602711 CJNFAZPQNDJGBL-PXNSSMCTSA-N 362.433 3.810 30 50 FHEA Cc1cccc(/N=C2/NC(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S2)n1 13479802 IGJBAVRAVZQXCW-ZDUSSCGKSA-N 365.380 3.871 30 50 FHEA CC(C)(C)N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1Cl 4810918 AEMDYXNBAFIHAJ-UHFFFAOYSA-N 350.871 3.864 30 50 FHEA CCCCCCCN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 33353627 WDDQLPGEGVIXLR-HNNXBMFYSA-N 367.287 3.641 30 50 FHEA Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 241383526 MWALMTJKXYVLMQ-YESZJQIVSA-N 355.482 3.683 30 50 FHEA COc1cc(/C=C2/S/C(=N/c3cccc(C)c3C)NC2=O)ccc1O 9494675 FCGRCVJLSPMNNM-LICLKQGHSA-N 354.431 3.909 30 50 FHEA Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(C)c1C 874796 HYEKKABBMOREFW-UHFFFAOYSA-N 364.426 3.960 30 50 FHEA O=C(Nc1cccc(Br)c1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@H]3[C@@H]12 254518138 XNPGYHSGWLDFRE-QJTLGEBBSA-N 364.239 3.810 30 50 FHEA O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccc(-n2cc(Cl)cn2)cc1 825613800 XMUNGSPUEWIGDJ-MHWRWJLKSA-N 365.776 3.623 30 50 FHEA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cccc(C#CC(C)(C)O)c1 1506406307 GRSKZCHWPHNFLP-UHFFFAOYSA-N 374.440 3.736 30 50 FHEA Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O 18193166 UQKBSGVXBDCPFE-OAHLLOKOSA-N 373.865 3.896 30 50 FHEA C=CCN1C(=O)/C(=C2/C(=O)N(CCCC)c3ccccc32)SC1=S 2672912 GYYBGWKJEZITJO-PFONDFGASA-N 358.488 3.591 30 50 FHEA C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 4413703 HQSZEMNMYLSXGT-OAHLLOKOSA-N 352.434 3.645 30 50 FHEA C[C@@H](Cc1ccco1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 218518674 RMYNHTNTNDZZBC-ZDUSSCGKSA-N 365.458 3.546 30 50 FHEA Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 95520054 ZIRDDRLQNUMUJS-LJQANCHMSA-N 372.476 3.594 30 50 FHEA N#Cc1ccc(F)c(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 277848760 SPMXWMRYJMMOFK-LBPRGKRZSA-N 352.335 3.819 30 50 FHEA COc1ccc(-c2oc3c(ccc4cccnc43)c2CC(=O)NCC#N)cc1 2049513431 UCQPVZJTQLYSSU-UHFFFAOYSA-N 371.396 3.839 30 50 FHEA N#Cc1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)cc1 2885051 AVFADNSSYJUTAM-UHFFFAOYSA-N 372.428 3.814 30 50 FHEA COc1ccc(OC)c(-c2cs/c(=N\N=C(/C)c3ccc(O)cc3)[nH]2)c1 43761270 YGVJGFXUURADSN-CIAFOILYSA-N 369.446 3.791 30 50 FHEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 253501771 QXTWZEGENLVVRE-NENAYYCWSA-N 368.473 3.961 30 50 FHEA N#Cc1cc2c(nc1SCc1ccc([N+](=O)[O-])cc1)C1CCN2CC1 1125933 UIWDHHHHRYVGIP-UHFFFAOYSA-N 352.419 3.851 30 50 FHEA C=CCN(Cc1ccccc1Cl)C(=O)c1cc2c(n(C)c1=O)CCCC2 65417268 YVRKPEHNYQUAED-UHFFFAOYSA-N 370.880 3.746 30 50 FHEA COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1 5047118 RIDVNAPBFRZMHM-YODDIOPGSA-N 373.865 3.513 30 50 FHEA C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(C)=O)c1ccnc2ccc(OC)cc12 4305174 LBXIBQQYUBUMMK-WWLNLUSPSA-N 366.461 3.744 30 50 FHEA COc1ccc(/C(N)=N/OC(=O)c2ccccc2CCc2ccccc2)cc1 4807897 PHPGPNNFHMEXEM-UHFFFAOYSA-N 374.440 3.958 30 50 FHEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Br)cc1 4937927 GBOXZFUELGXKBG-CQSZACIVSA-N 352.228 3.534 30 50 FHEA O/C(=N/[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC[C@H](n2cncn2)C1 328605124 JFRJMHKHUGNGOF-SLFFLAALSA-N 361.449 3.538 30 50 FHEA CC1=C/C(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2C1=O 828406 FCVCYXFFXXFOJA-FCDQGJHFSA-N 357.413 3.748 30 50 FHEA Cc1cc(C#N)ccc1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 331888840 IOMRRWSIANCFBD-WMZOPIPTSA-N 374.362 3.834 30 50 FHEA CC1=CC(=O)C(C2CCCCC2)=C/C1=N\OS(=O)(=O)c1ccccc1 96024633 RSMZOLWJZGIWOV-CZIZESTLSA-N 359.447 3.784 30 50 FHEA in-vitro O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccccc1 2321401 GTLZQVGIRQXKBP-PDDUZAPNSA-N 351.391 3.689 30 50 FHEA CCc1c(C)sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C#N 1200004 IIRNTOBYCKUDTR-UHFFFAOYSA-N 360.435 3.769 30 50 FHEA CCSCCN(C(=O)c1ccc(C#CC(C)(C)O)o1)C1CCCCC1 55182993 ZHAFWVCSAZIBQB-UHFFFAOYSA-N 363.523 3.930 30 50 FHEA CCC(CC)n1ncc(C)c1NC(=O)c1cccc(C#CC(C)(C)O)c1 55100334 IRTMUQAOZWHJCQ-UHFFFAOYSA-N 353.466 3.927 30 50 FHEA C=CCNc1ccccc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)NC)s1 65397501 HDLRWAVQMGXGHY-MRXNPFEDSA-N 369.490 3.683 30 50 FHEA Cc1ncc(/C(O)=N/[C@H](C)C2CCN(CC(F)(F)F)CC2)c(C2CC2)n1 329816584 DZJNEBSNHUQJGL-LLVKDONJSA-N 370.419 3.630 30 50 FHEA COCCn1cc([C@H]2OCC[C@@H]2C(O)=Nc2cccc(SC)c2)cn1 328619924 GLPRTOHGJIMOFU-DLBZAZTESA-N 361.467 3.617 30 50 FHEA Cn1c(=O)ccc2ccc(NC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc21 487879118 VYRJLOQWKICHKM-UHFFFAOYSA-N 360.417 3.984 30 50 FHEA CCOc1ccc(/C=N/N=C/c2ccc(OCC)c(OC)c2)cc1OC 3209708 QQGCFJUJSFVTTK-JFMUQQRKSA-N 356.422 3.954 30 50 FHEA N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2 102246445 BUFIZIKZFCQXPW-GREKMHCPSA-N 358.463 3.574 30 50 FHEA Cc1ccc(NC[C@@H](O)CSc2nc3c(cc2C#N)CCCC3)cc1 1118429 MZUJKSYDIHOKIL-GOSISDBHSA-N 353.491 3.706 30 50 FHEA C=CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C1=S 1129413 NKEVTGXYYSJFOQ-ICSRJNTNSA-N 373.481 3.797 30 50 FHEA biogenic CC[C@]1(O)CCC[C@H]2CN(C(=O)CC3=C(c4ccccc4)CCC3=O)C[C@H]21 2356148038 DSUFBMKYTOAOSS-WGGBDISSSA-N 367.489 3.593 30 50 FHEA C=C(C)COc1ccccc1CN(C)Cc1nc(-c2ccccn2)no1 55283035 ICYNGGAPAHIRBF-UHFFFAOYSA-N 350.422 3.719 30 50 FHEA C=CCOc1ccc(C(=O)N(Cc2cncs2)C2CC2)cc1OCC 55252605 LOAMTMOBQLOHRY-UHFFFAOYSA-N 358.463 3.911 30 50 FHEA Cc1ccc(C)c(OCCN(C)Cc2ccc(C#CC(C)(C)O)s2)c1 55119125 VTUPYQDXNWIAQH-UHFFFAOYSA-N 357.519 3.998 30 50 FHEA CC(C)c1nnc(C/N=C(/O)[C@H]2C[C@@]23CC(C)(C)Oc2ccccc23)n1C 328605418 NJJIKYDFNMEBHF-VFNWGFHPSA-N 368.481 3.914 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1cccc(CC)c1)CC2 91965217 LGMIECUBGPMEFY-UHFFFAOYSA-N 355.482 3.672 30 50 FHEA N#Cc1ccccc1N1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 826797316 UVKWQRGFUDDXMO-FQEVSTJZSA-N 351.450 3.715 30 50 FHEA N#Cc1cc2c(nc1N[C@@H]1CCN(c3ncccc3Cl)C1)CCCC2 301900540 UVMRFWIZXFOUNV-OAHLLOKOSA-N 353.857 3.571 30 50 FHEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(O)cc2)C1=O 5042425 ITARRCLTLIMJBH-VBKFSLOCSA-N 367.426 3.936 30 50 FHEA CCCn1ccnc1C(F)(F)/C(O)=N/C[C@H](C)Oc1ccccc1F 328594474 MOALPRMHLMAYTO-LBPRGKRZSA-N 355.360 3.948 30 50 FHEA C#CCCC1(CCC(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)N=N1 1875382395 ZLNBAUQBGOTOSE-UHFFFAOYSA-N 366.396 3.985 30 50 FHEA CC(C)c1ccc(CSc2nc(=O)n3ncc(C#N)c3[nH]2)c(C(C)C)c1 2325863808 XNGNXXYJMJILMQ-UHFFFAOYSA-N 367.478 3.828 30 50 FHEA CCCCCCNC1=C(C(=O)CCC)C(=O)[C@H](C(=O)OC)C(C)(C)C1 100319717 WNVVTARKDGQMJV-QGZVFWFLSA-N 351.487 3.568 30 50 FHEA biogenic C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 20190671 ICAFQYJYPKANBZ-RCCKNPSSSA-N 372.856 3.790 30 50 FHEA CCOC(=O)C1=C(c2ccccc2)NC(=S)[C@@H](C#N)[C@@H]1c1ccccc1 3883679 PZWSRGFTFGHOTK-IRXDYDNUSA-N 362.454 3.815 30 50 FHEA in-vitro CC1(C)OB(c2cc(Br)cc(OCC3CC3)c2)OC1(C)C 169746288 UJZRFGSKTCMGPZ-UHFFFAOYSA-N 353.065 3.537 30 50 FHEA in-vitro COc1ccc2c(c1)/C(=N\OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCC2 15686316 LBYOAMVUTPDSCW-SILNSSARSA-N 370.361 3.509 30 50 FHEA CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccco2)C1=O 4602451 MVGYVVJYNCRJBC-UVTDQMKNSA-N 359.378 3.962 30 50 FHEA C#CCCC1(CCC(=O)N2CCC(Cc3nc4c(s3)CCC4)CC2)N=N1 1875368733 MMIWMXVPCYYFKG-UHFFFAOYSA-N 370.522 3.769 30 50 FHEA C=CCOc1c(Br)cc(CNCc2ccco2)cc1OC 4868493 RLWHMVAISPRPSI-UHFFFAOYSA-N 352.228 3.905 30 50 FHEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1c(CC)n(C)c(C)cc1=O 55327509 XOKSZTLRYPMWJV-ROUUACIJSA-N 354.494 3.938 30 50 FHEA Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1Cl 20000632 NAYTUAASAPBXCA-UHFFFAOYSA-N 357.826 3.547 30 50 FHEA CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4502170 HKBKHPJLXFAESV-AWEZNQCLSA-N 357.450 3.731 30 50 FHEA COc1ccc(N=C(O)c2ccc(C)c(CO)c2)c(/C(O)=N/C2CC2)c1 328592196 LWNMAWDNBCVLJF-UHFFFAOYSA-N 354.406 3.599 30 50 FHEA CC(C)c1noc([C@@H](/N=C(/O)CCc2cccnc2)C2CCOCC2)n1 328611225 KSZXQSBKUIYXIX-KRWDZBQOSA-N 358.442 3.645 30 50 FHEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/[C@H](C)c1nnc(C)s1 328607576 WNCBSMWLMFIBIF-MAZCYNQFSA-N 359.451 3.613 30 50 FHEA Cc1cn2cc(N=C(O)c3sc([C@H]4CCCOC4)nc3C)ccc2n1 328781746 FWGQEUVNKKFPAT-ZDUSSCGKSA-N 356.451 3.938 30 50 FHEA C=CCn1cc(-c2cn([C@H](C)c3nc4c(s3)CCCC4)nn2)c(C)n1 91965026 KCVHFJDOFCFQIK-CYBMUJFWSA-N 354.483 3.581 30 50 FHEA C#CCCC1(CCC(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)N=N1 2325892007 XIOJWGVQTDLDMI-UHFFFAOYSA-N 365.437 3.829 30 50 FHEA C=CCN(Cc1ccccc1C)C(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc12 55041942 PJFYPOSLUPJVPQ-INIZCTEOSA-N 361.445 3.550 30 50 FHEA C=C(C)CN(CC)Cc1cnc(S(=O)(=O)CC2CCC2)n1CCCC 55371267 PUJZSTUXZSEZCA-UHFFFAOYSA-N 367.559 3.655 30 50 FHEA OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)cc1 65430654 FHKHGCLPGKDBPJ-NRFANRHFSA-N 358.441 3.740 30 50 FHEA O=[N+]([O-])c1ccc(Br)c(NN=C(O)c2conc2C2CC2)c1 328591582 WZVQAIIJSJBYEO-UHFFFAOYSA-N 367.159 3.554 30 50 FHEA NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(F)c(Cl)c1 791099 BKRKMDZMXZLHOI-UHFFFAOYSA-N 359.813 3.805 30 50 FHEA CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccco1 4083024 LUDYOKCZETWCOX-FKBYEOEOSA-N 367.445 3.987 30 50 FHEA CCCCCc1ccc(/C(C)=N/Nc2cc(N3CCOCC3)ncn2)cc1 4947106 CNUNKUGQRNGCKH-JJIBRWJFSA-N 367.497 3.882 30 50 FHEA CCOc1cccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)c1O 252394278 DDURSZSLRSHXPX-UHFFFAOYSA-N 354.435 3.529 30 50 FHEA N#C[C@H]1N(C(=O)c2[nH]c3ccccc3c2Cl)CCC[C@]12CCCCO2 329845776 LYTZUDPTBCTCSY-DNVCBOLYSA-N 357.841 3.889 30 50 FHEA C=CCOc1ccccc1CN1CCC(=O)N(Cc2cccc(C)c2)CC1 12159478 KQZYYBZYASGEEX-UHFFFAOYSA-N 364.489 3.794 30 50 FHEA C=C[C@](C)(O)CCC[C@H](C)C(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1 2325808213 GIDRBJXVBNFAFU-AOMKIAJQSA-N 373.493 3.834 30 50 FHEA CSCC[C@H](N=C1NC(C)(C)Cc2c1ccc1ccccc21)C(=O)O 6241318 UEDSXOZPVBHISN-KRWDZBQOSA-N 356.491 3.717 30 50 FHEA CC1(C)OB(c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)OC1(C)C 170004296 KYGWEFZVTBZDRT-UHFFFAOYSA-N 357.646 3.892 30 50 FHEA COc1ccc(/C=N/n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1 805444 KCWHDNBXLKIZSH-RGVLZGJSSA-N 353.447 3.536 30 50 FHEA Cc1ccc(S(=O)(=O)/N=C(\Nc2ccccn2)c2ccccc2)cc1 13029831 WFJFJQKHRVELDZ-UHFFFAOYSA-N 351.431 3.638 30 50 FHEA CC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OC(C)C 4839822 LQHYAZQITZXTHN-HXUWFJFHSA-N 350.418 3.828 30 50 FHEA COC(=O)/C(=C/C(=O)c1ccccc1)Nc1ccc(Br)cc1 100624684 CHKNWOHQCOLVBF-PTNGSMBKSA-N 360.207 3.801 30 50 FHEA C=C(C)COc1ccccc1C(=O)N(Cc1c(C)nn(C)c1C)C1CC1 55088833 RGHRUKRKTADOBY-UHFFFAOYSA-N 353.466 3.797 30 50 FHEA Oc1cc(/C=N\Nc2cccc3cccnc23)cc(Br)c1O 32593006 RTWRAQKKOZEZJA-OCKHKDLRSA-N 358.195 3.855 30 50 FHEA O/C(=N/[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N[C@@H]1C[C@H]2CC[C@H]1O2 328613106 QAPDZYRVIXCCTH-JPIRQXTESA-N 354.372 3.775 30 50 FHEA CC1(C)OB(c2ccc(F)cc2NC(=O)Oc2ccccc2)OC1(C)C 238791224 BPTYYOQRNAOGFR-UHFFFAOYSA-N 357.190 3.736 30 50 FHEA CC1(C)OB(C2CCN(C(=O)c3ccc4cnccc4c3)CC2)OC1(C)C 1334279736 UHAGMDLBEMWAPR-UHFFFAOYSA-N 366.270 3.933 30 50 FHEA C[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1cccc(C#N)c1 170645016 KIXAKDDDIWQURG-YJYMSZOUSA-N 371.387 3.681 30 50 FHEA C=CCN1C(=O)[C@H](Cc2cccc(Cl)c2)S/C1=N/N=C/c1ccco1 5047925 SFUUXISYGXLKHO-RYSKPNPXSA-N 373.865 3.996 30 50 FHEA C=CCCO[C@H](C)C(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 952892438 NNGOSSXMYUKXKQ-QGZVFWFLSA-N 367.493 3.764 30 50 FHEA C#CCCC1(CCC(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N=N1 2325892331 JKIDJDIWQSULNO-IHWFROFDSA-N 364.493 3.654 30 50 FHEA N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 229985520 BUFIZIKZFCQXPW-KUDNYVPYSA-N 358.463 3.574 30 50 FHEA CCCCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C 8396867 RANNRPCYFRQNRM-UHFFFAOYSA-N 366.531 3.676 30 50 FHEA CN(C/C(O)=N/[C@H]1CCC(O)=NC12CCC2)c1nc2ccccc2s1 328784525 VSAMABXYKWFRDU-AWEZNQCLSA-N 358.467 3.731 30 50 FHEA N#C[C@H]1N(C(=O)Cc2cccc(Cl)c2Cl)CCC[C@]12CCCCO2 329846660 MGYOKCLTOULCSX-CRAIPNDOSA-N 367.276 3.990 30 50 FHEA CC1(C)OB(c2ccc(Br)c(Br)c2)OC1(C)C 169904630 SVTLSECRLPPTTC-UHFFFAOYSA-N 361.870 3.511 30 50 FHEA in-vitro COc1ccc(-c2nc(C#N)c(NC[C@H]3CCCN4CCCC[C@H]34)o2)cc1 1857799501 GUOQTOTZQQIKLM-VQIMIIECSA-N 366.465 3.898 30 50 FHEA N#Cc1c(NC(=O)CN2CCCc3ccccc32)sc2c1CCCC2 2630767 LEBJNTXVIGNHLF-UHFFFAOYSA-N 351.475 3.890 30 50 FHEA CC#CC[C@H](C)C(=O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@@H]2C[C@H]1O 64859022 LDICATDQJSBQOX-ZCYVEMMBSA-N 358.478 3.750 30 50 FHEA in-vitro CC(C)[C@H](N/C(O)=N/Cc1ccccc1)C(=O)N1CC2(CCC2)[C@H]1C1CC1 330217644 IPWYLJHPTLVFHB-RBUKOAKNSA-N 369.509 3.506 30 50 FHEA Cc1cscc1N/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328621494 HTHDODAWEOPDGZ-JTQLQIEISA-N 358.389 3.860 30 50 FHEA N#Cc1c(N)nc2c(c1[C@@H]1CC=CCC1)CN(C(=O)c1ccccc1)CC2 71745265 QPKVEIMIQLDQHZ-OAHLLOKOSA-N 358.445 3.558 30 50 FHEA N#Cc1ccccc1CN1CCC(Cc2nncn2-c2ccccc2)CC1 82121286 ASNKKWRYXKSNEP-UHFFFAOYSA-N 357.461 3.594 30 50 FHEA CO[C@@H]1CCC[C@H](CC(=O)N[C@@H](C#N)c2cccc(Br)c2)C1 279773047 KJVGIOIIBGMPIO-MAZHCROVSA-N 365.271 3.725 30 50 FHEA N#Cc1cc(Cl)ccc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1 1875294584 JZANREXZXSXXFJ-UHFFFAOYSA-N 367.827 3.686 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1 846450 ZVPAYKYHGPUOQV-INIZCTEOSA-N 350.399 3.785 30 50 FHEA N#Cc1c(C2CCNCC2)cc(-c2ccc(F)cc2C(F)(F)F)nc1N 71681361 LNZKAMLWSIAVRR-UHFFFAOYSA-N 364.346 3.827 30 50 FHEA Cc1ccc(N=C(NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)cc1 2268784 LPXUMDFQCGYLJH-UHFFFAOYSA-N 359.433 3.931 30 50 FHEA FC(F)(F)Oc1ccc(C#CCNc2ccc(-n3cncn3)cc2)cc1 135550923 QQSUORUTWCFJRR-UHFFFAOYSA-N 358.323 3.630 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(Cc1ccc(F)cc1Cl)CC2 91695342 SPHVJYBATQUVRP-UHFFFAOYSA-N 350.865 3.870 30 50 FHEA CCCCCCCCNC(=O)c1c(O)c2ccccc2n(CCC#N)c1=O 299738235 LSPOKMUMTNVZJZ-UHFFFAOYSA-N 369.465 3.711 30 50 FHEA COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c(Cl)cc1O 19973770 JREKEVZNEOJPRO-UHFFFAOYSA-N 373.836 3.755 30 50 FHEA CC(C)(O)CCc1ccc2c(c1)CCN(Cc1ccc(C#N)c(F)c1)C2 2325866850 BXIPXBJCOLHTJB-UHFFFAOYSA-N 352.453 3.959 30 50 FHEA C#CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 8570505 LXDBUBZBCZHWJQ-UHFFFAOYSA-N 362.429 3.577 30 50 FHEA C=CCc1cc(CN2CCC3(CCC(=O)N(CC)C3)CC2)ccc1OC 91487041 RNPNSLLIAFBJCF-UHFFFAOYSA-N 356.510 3.648 30 50 FHEA CSC1=N/C(=C\c2ccc(OC(C)=O)c(Br)c2)C(=O)S1 1168977 JMAMZYLVMXLLTL-POHAHGRESA-N 372.265 3.708 30 50 FHEA C/N=C(/O)c1cccc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)c1 328635701 NPIDFTLPYCYRAW-IBGZPJMESA-N 352.482 3.570 30 50 FHEA C#CCCC1(CCC(=O)N[C@H]2c3ccccc3CC[C@@H]2N2CCCC2)N=N1 2325886389 VFLIXMWTABSBBI-FPOVZHCZSA-N 364.493 3.610 30 50 FHEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)cc2)cc1 6819603 AJVWSJMDLJFZDW-QAPCUYQASA-N 365.404 3.839 30 50 FHEA CC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 363570287 XEBOGGISFOGAKB-UXHICEINSA-N 362.433 3.949 30 50 FHEA CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1C#N 172975316 ZKEOZNYVZQNKQB-UHFFFAOYSA-N 355.246 3.686 30 50 FHEA CC#CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 12053529 SYSYOLQRWYDSNV-GOSISDBHSA-N 364.420 3.693 30 50 FHEA CCN(CC)c1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)cc1 19773028 HXXNBXJQFGTMLM-MOHJPFBDSA-N 364.537 3.993 30 50 FHEA O/C(=N/[C@@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCn2cncc2C1 328958477 OKCCFPAQIBJCPE-NOZJJQNGSA-N 352.221 3.843 30 50 FHEA COc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1OC 20171715 VRNWQFAUNRGABO-HYARGMPZSA-N 373.884 3.509 30 50 FHEA CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 13682420 DLPSDPPZXRJQOY-UHFFFAOYSA-N 355.760 3.523 30 50 FHEA in-vitro Cc1cccc2[nH]c(C3CCN(Cc4cc(C#CCO)cs4)CC3)nc12 67834036 ZZWMIAZLRQUDDL-UHFFFAOYSA-N 365.502 3.656 30 50 FHEA Cc1ncsc1CCN(C)C(=O)CC1=C(c2ccccc2)CCC1=O 72480632 VXGRIDXRMSJEFO-UHFFFAOYSA-N 354.475 3.659 30 50 FHEA N#Cc1cccc(S(=O)(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)c1 170609165 BUEOBTXEZRPNMP-UHFFFAOYSA-N 374.425 3.902 30 50 FHEA N/C(=N\OC(=O)c1ccccc1Cl)c1ccc(Br)cc1 5042475 PEAWTRFFRWQGCF-UHFFFAOYSA-N 353.603 3.580 30 50 FHEA C=CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccc(F)cc2)C1=O 5034156 HIHFTCFUXAHAGF-WJDWOHSUSA-N 372.783 3.505 30 50 FHEA COc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2OC)cc1 2304510 HBRXRORBHIQJBC-AMYLNKINSA-N 366.446 3.798 30 50 FHEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)N=N1 888096253 PBQVTABXNLEALO-HNNXBMFYSA-N 358.873 3.638 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(C)sc1SC 4094984 FDMAEHNREJYAGJ-HNNXBMFYSA-N 363.504 3.919 30 50 FHEA CC(C)(C)N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 4953512 IJKCPKMBRGFIBO-UHFFFAOYSA-N 350.871 3.864 30 50 FHEA O=C1C[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 6819560 AQCIFOFDWHJUTD-YOEHRIQHSA-N 351.377 3.536 30 50 FHEA CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@@H]2C[C@H]1O 27099715 HIFJCPQKFCZDDL-DRLPDHLDSA-N 360.494 3.541 30 50 FHEA in-vitro CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC 4915055 VKEFRHLIMAMQGZ-CQSZACIVSA-N 357.450 3.731 30 50 FHEA Cn1c2c(c3cc(O)ccc31)C(=O)C(Nc1ccc(Cl)cc1)=CC2=O 725236937 QUAFTMJUVQDZHE-UHFFFAOYSA-N 352.777 3.912 30 50 FHEA Cc1n[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 5124309 YHJPUFVICIRSNV-MRXNPFEDSA-N 352.394 3.827 30 50 FHEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OC)c2OC)c1 5932614 OFMUCOVQGFBBOZ-YBFXNURJSA-N 370.434 3.516 30 50 FHEA CC(C)(C)OC(=O)n1cc(C=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21 200976131 STKHBUBGGXGUNS-UHFFFAOYSA-N 371.242 3.536 30 50 FHEA Cc1c(C#N)c(N2CCC[C@@H](OCc3ccccn3)C2)nc2ccccc12 1857678053 RKEUJDASAGPSMT-GOSISDBHSA-N 358.445 3.996 30 50 FHEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)o1 4186963 PWJCHSLZWDNADW-WOVYWWTOSA-N 366.417 3.819 30 50 FHEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/C1CCCC1 328605018 LYOWNYOGQQNKBR-KXBFYZLASA-N 355.438 3.858 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N/NC(N)=S 252694543 LYALGFDSSRNLPA-CMXWBHDLSA-N 363.571 3.579 30 50 FHEA biogenic N#CCc1ccc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c(Cl)c1 411023348 ZLJXPFJWBZZJNM-AAVRWANBSA-N 358.747 3.700 30 50 FHEA COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)c(Cl)c1Cl 639978 WNHMBKOESCUKLO-UHFFFAOYSA-N 371.245 3.869 30 50 FHEA O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@@H]1Cc1ccc(F)cc1 4889225 HALVPNNTMBSUAZ-IXJMWADBSA-N 361.829 3.643 30 50 FHEA COc1cc(-c2c(C)c([C@H]3CCOC(C)(C)C3)nc(N)c2C#N)ccc1O 67787648 JJLYYZWJAVERNL-AWEZNQCLSA-N 367.449 3.898 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1O 2859101 RMEAMVFRCSWXLU-UHFFFAOYSA-N 366.446 3.568 30 50 FHEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(N(C)C)cc2)c1 5809986 ZYGIIWBZZTYVHG-XDHOZWIPSA-N 353.451 3.564 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)N=N1 952883066 WNODMMBSJAHMNN-GFCCVEGCSA-N 359.380 3.964 30 50 FHEA N#Cc1ccc(C2CCN(C(=O)c3ccc4c(c3)CCCCN4)CC2)nc1 2325798161 RGQDATXNYVRZAI-UHFFFAOYSA-N 360.461 3.721 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc(OCCN3CCCCC3)c2)N=N1 2325894781 PPXIOTDFBCEPNJ-UHFFFAOYSA-N 368.481 3.846 30 50 FHEA Cc1cc(C)c(C#N)c(N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)n1 67895988 WEBSGFBMNUWWGQ-UHFFFAOYSA-N 374.400 3.517 30 50 FHEA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C#N)C1 6262652 XGGUYIMRVZLSPF-VIFPVBQESA-N 373.438 3.654 30 50 FHEA C[C@@H]1CN(Cc2csc(N=C(O)[C@H]3Cc4ccccc43)n2)C[C@@H](C)O1 329446861 CRBOCHLSBWPPMU-XNJGSVPQSA-N 357.479 3.680 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccnc(Oc3ccccc3F)c2)N=N1 2325892394 LTRRHSOQWDDHFA-UHFFFAOYSA-N 366.396 3.985 30 50 FHEA O=C(NCc1ccc2c(c1)OCO2)c1ccc(C#Cc2ccccc2)cc1 1221107 FHBCRXINBBRNND-UHFFFAOYSA-N 355.393 3.745 30 50 FHEA biogenic Cc1cccc(N2CCc3nc(N)c(C#N)c(-c4cccc(O)c4)c3C2)c1 71764373 QXVORYGZESXLKX-UHFFFAOYSA-N 356.429 3.779 30 50 FHEA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1c(F)cc(C#N)cc1F 131909674 NFKGMLUDXPXWGU-KRWDZBQOSA-N 356.372 3.829 30 50 FHEA CC1(C)OB(C2CCN(C(=O)c3cccc4cnccc34)CC2)OC1(C)C 864235827 NUVSQQLOWDOTHU-UHFFFAOYSA-N 366.270 3.933 30 50 FHEA N#C[C@H](C(=O)NCc1cccc(F)c1)C(=O)c1ccc([C@H]2CC2(F)F)cc1 1875293548 VACRTTNSBASJMJ-DLBZAZTESA-N 372.346 3.587 30 50 FHEA O=C1N/C(=N/N=C/c2ccco2)S[C@@H]1Cc1ccc(Cl)cc1Cl 18083246 YHDREEMRIJGFSE-NACCWKTGSA-N 368.245 3.751 30 50 FHEA Cc1nc(N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)c(C#N)c(C)c1C 1857673482 JNWGZAOQEQREBP-IEBWSBKVSA-N 371.525 3.804 30 50 FHEA Clc1ccc(Br)c(CN=C2NC[C@H](c3ccccc3)N2)c1 1875356874 XHXPBQPOOPHBQJ-OAHLLOKOSA-N 364.674 3.893 30 50 FHEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)N1CCc2ccc(C(C)=O)cc2CC1 2325807050 WRXUNYQSTFIMRY-KSFYIVLOSA-N 357.494 3.560 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1F 849083 FIDNKRFYVNCMDJ-INIZCTEOSA-N 368.389 3.924 30 50 FHEA C=CCc1cc(CN(C)Cc2nc(-c3ccncc3)no2)ccc1OCC 55211264 BWERPNXDYHIBAL-UHFFFAOYSA-N 364.449 3.891 30 50 FHEA N#C[C@@H]1N(C(=O)Cc2cccc(Cl)c2Cl)CCC[C@@]12CCCCO2 329846663 MGYOKCLTOULCSX-YJBOKZPZSA-N 367.276 3.990 30 50 FHEA CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1c(F)cc(C#N)cc1F 131909900 NFKGMLUDXPXWGU-QGZVFWFLSA-N 356.372 3.829 30 50 FHEA CCOc1ccc(C=Nn2c(S)nnc2-c2ccc(OC)cc2)cc1 239231177 VBSOPLCTKKGXDL-UHFFFAOYSA-N 354.435 3.523 30 50 FHEA C[C@@]12OC(=N)[C@@](C#N)([C@H](c3ccccc3)O1)C(C#N)(C#N)[C@@H]2c1ccccc1 239164806 MYHXPTPDSAEKDZ-YSNWRPKNSA-N 368.396 3.809 30 50 FHEA C#CCCC1(CCC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)N=N1 1875381826 IWHHQMKRGWBQIN-UHFFFAOYSA-N 363.465 3.968 30 50 FHEA C#CC12CCC(C(=O)N3CCC(CO)(c4ccccc4)CC3)(CC1)CC2 2325792701 GDUYXPWPSCFPHO-UHFFFAOYSA-N 351.490 3.513 30 50 FHEA Cc1cccc(C)c1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 170004653 IZNHXBFDJGINSW-UHFFFAOYSA-N 351.255 3.855 30 50 FHEA C=C(C)COc1cccc(NC(=O)N[C@H](CC(C)C)c2ncnn2C)c1 96133773 DNGJYCICDCQLSI-QGZVFWFLSA-N 357.458 3.679 30 50 FHEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c1 952982902 NIHTWNXQAUULLM-UHFFFAOYSA-N 372.468 3.507 30 50 FHEA Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cccnc2)cc1 3129914 BFRASFLZEWBXFC-KGENOOAVSA-N 351.431 3.941 30 50 FHEA C=CCOc1ccc(C(=O)N[C@@H](C)Cc2ncccc2C)cc1OCC 55073737 GYEWUHULHKCJDJ-INIZCTEOSA-N 354.450 3.715 30 50 FHEA C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N 329870425 BQAHQSCBDZDHNW-OZOXKJRCSA-N 358.457 3.848 30 50 FHEA N#Cc1ccc(Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 44890609 VKZDSHFAOIUBJR-UHFFFAOYSA-N 366.218 3.593 30 50 FHEA COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccc(O)cc2)C1=O 4834387 BNTTYXJVGBFOOR-XDHOZWIPSA-N 363.413 3.886 30 50 FHEA C=CCn1cc(CN2CCN(c3cc(C)nc4ccccc34)CC2)c(C)n1 65397660 VDUZTMUKNJGAKS-UHFFFAOYSA-N 361.493 3.556 30 50 FHEA Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccccc1OCC(=O)O 71759433 GYPFDMUBXJVXRU-UHFFFAOYSA-N 359.385 3.641 30 50 FHEA N#Cc1ccccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82125717 IDWIJUIEXGYFMP-HXUWFJFHSA-N 370.456 3.823 30 50 FHEA C=CCc1cc(OC)c(O[C@@H](C)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1 13311346 ULZFTGWWPHYLGI-RBZFPXEDSA-N 374.433 3.647 30 50 FHEA endogenous,in-man N#Cc1ccc(-c2cccc(CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)s1 225412140 DXJNBSBXTIFYEX-ILRDRHFLSA-N 360.438 3.594 30 50 FHEA Cc1oc2c(c1/C(O)=N/[C@@H](Cc1c[nH]c3ccccc13)C(=O)O)CCCC2 82138171 VTJPKQGGFNETLG-KRWDZBQOSA-N 366.417 3.949 30 50 FHEA O=C1C[C@H](c2ccncc2)c2c(ccc3c2O/C(=C\c2ccco2)C3=O)O1 253410536 NLSDZVIVUHZDLF-DISPHTKASA-N 359.337 3.732 30 50 FHEA biogenic C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCC(C)C)C2 14746002 HUQPBLZWDDGPHL-GOSISDBHSA-N 372.557 3.578 30 50 FHEA CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])cc1 18066777 DYASVYHYVIOPKN-GOSISDBHSA-N 360.369 3.752 30 50 FHEA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1nc2c(cc1C#N)CCC2 2325708729 MBEBYSBAMAJSCG-LJHODMEESA-N 355.482 3.858 30 50 FHEA C[C@]1(CNC(=O)c2cccc3[nH]cc(C#N)c23)CCN(Cc2ccccc2)C1 2325858217 DQBDWOSTVXMCIL-HSZRJFAPSA-N 372.472 3.682 30 50 FHEA COc1cc(/C=N/n2cnnc2)ccc1OCCSc1ccc(C)cc1 2965732 ZPSIMGSVYNSHTD-WSDLNYQXSA-N 368.462 3.648 30 50 FHEA CCC[C@]1(CO)CCCN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 426640605 ZFEYLRRMIHTRGH-QFIPXVFZSA-N 363.461 3.635 30 50 FHEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 19790761 SZVQRCCJPPUGTQ-FQEVSTJZSA-N 366.461 3.925 30 50 FHEA C#CCCC1(CCC(=O)NCC[C@H](c2ccccc2)N2CCCC2)N=N1 2325892793 DEXGVOUIYSTASU-LJQANCHMSA-N 352.482 3.686 30 50 FHEA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4913886 NZADYMNDCSKBCT-OCCSQVGLSA-N 368.414 3.661 30 50 FHEA Cc1nn(C)cc1C(=O)/C=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1 6527243 KYVZMWZETXDWOX-MDZDMXLPSA-N 367.361 3.705 30 50 FHEA Cc1nc(C)c(/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)s1 328640093 XDGXRPQWWKOOFM-SNVBAGLBSA-N 358.389 3.542 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc(C(=O)O)cc2)CC(=O)O3)C1=O 217926865 OKRUSGBVXGLKGE-AWEZNQCLSA-N 364.353 3.695 30 50 FHEA biogenic CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 187291583 PPMXYXRQLQQZNU-UHFFFAOYSA-N 367.493 3.807 30 50 FHEA C=CCC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 11761438 KKPJFHGPBLCVPH-HXUWFJFHSA-N 364.445 3.868 30 50 FHEA CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccncc2)C(=O)C1 100131716 ZTFXSAITONWPBY-SFHVURJKSA-N 369.461 3.941 30 50 FHEA CCOc1ccc2ccccc2c1/C=N/c1ccc(S(N)(=O)=O)cc1 101667573 YPIMVQSDRFADDC-FYJGNVAPSA-N 354.431 3.637 30 50 FHEA Cn1nc(/C(O)=N/[C@H]2c3ccccc3CC23CCOCC3)cc1C1CC1 329538423 CACJTFVSULNAEQ-IBGZPJMESA-N 351.450 3.696 30 50 FHEA COc1cc(C(=O)O)c(Br)cc1OCc1ccccc1C#N 227156773 DQPALLLNPJQAIV-UHFFFAOYSA-N 362.179 3.607 30 50 FHEA C[C@@H]1CCc2sc(N3C(=O)[C@@H]4CC=C(Cl)C[C@H]4C3=O)c(C#N)c2C1 239425670 UZFRZCVRHABEJM-IRUJWGPZSA-N 360.866 3.767 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)N=N1 952881363 LRHOCFJLBZUQNO-HUUCEWRRSA-N 372.444 3.734 30 50 FHEA C=CCn1nc(C)c([C@@H]2c3nc[nH]c3CCN2Cc2sccc2C)c1C 72463833 JYZOHPZXUGYAFZ-HXUWFJFHSA-N 367.522 3.927 30 50 FHEA CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 5445502 NPEXAEOUMYOIHR-QGZVFWFLSA-N 370.836 3.614 30 50 FHEA Cc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O 18193163 UQKBSGVXBDCPFE-HNNXBMFYSA-N 373.865 3.896 30 50 FHEA CC1CCN([C@H](C/N=C(/O)c2coc(C3CCOCC3)n2)C(C)C)CC1 328776371 FNJWBRZDQGHYNI-GOSISDBHSA-N 363.502 3.630 30 50 FHEA C=CCn1c(SCC(C)=O)nc2sc(-c3ccccc3)cc2c1=O 710362 CKJRNRJUWSMTKR-UHFFFAOYSA-N 356.472 3.992 30 50 FHEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(F)c2)cc1 6819613 YZIKUPLKYXFVGO-QAPCUYQASA-N 365.404 3.839 30 50 FHEA C=CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1 91548636 ZXYIPARBJCRNRX-UHFFFAOYSA-N 366.505 3.670 30 50 FHEA CC(C)(C#N)c1ccccc1CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O 180674773 FOPLLGXLLVOGKA-HSZRJFAPSA-N 358.441 3.631 30 50 FHEA O=S(=O)(/N=C(/Nc1cccc(O)c1)c1ccccc1)c1ccccc1 15224336 XEYGNJXMWGRQFY-UHFFFAOYSA-N 352.415 3.640 30 50 FHEA CC(=O)Oc1ccccc1N(/C=C1\Sc2ccccc2C1=O)C(C)=O 18143652 FYMAWNKPKXJSSG-WQRHYEAKSA-N 353.399 3.795 30 50 FHEA CC[C@H](C)n1nc(C(=O)Nc2nc3cc(C#N)ccc3n2CC)cc1C 479473380 JQPVBMGXDJUFNI-LBPRGKRZSA-N 350.426 3.656 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)N=N1 952883459 XOQNIWVKESJKGR-GOSISDBHSA-N 366.509 3.890 30 50 FHEA Cn1/c(=N/N=C/N=N\c2sc3ccccc3[n+]2C)sc2ccccc21 4773431 HEFACGZSMCDDDM-UHFFFAOYSA-N 367.483 3.907 30 50 FHEA C=C(C)Cn1c(SCC(=O)Oc2ccccc2)nc2ccccc2c1=O 4858050 SGKDOSZXNQJORT-UHFFFAOYSA-N 366.442 3.670 30 50 FHEA N#Cc1c(N)nc2c(c1-c1ccc(O)cc1)CN(CCc1ccccc1)CC2 71746776 QBUXOPBUMDRBIE-UHFFFAOYSA-N 370.456 3.509 30 50 FHEA C[C@@H](NC(=O)CC1=C(c2ccccc2)CCC1=O)c1cn2ccsc2n1 952976614 SCUYWGZLSHPOJO-CYBMUJFWSA-N 365.458 3.780 30 50 FHEA N#CC1(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)CCCCC1 170605424 JKWAGECLVGZIBX-UHFFFAOYSA-N 363.864 3.786 30 50 FHEA O=C1c2ccccc2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 1013748 RRJDTXQGNZURLQ-OEAKJJBVSA-N 356.381 3.896 30 50 FHEA Sc1nnc(-c2ccccc2)n1/N=C/c1ccc(Br)s1 6062205 GVJUFZUTDHGHRG-OVCLIPMQSA-N 365.281 3.940 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(C3(C(=O)O)CCCC3)cc2)N=N1 2325901056 RXMBECWUASHLNI-UHFFFAOYSA-N 353.422 3.877 30 50 FHEA O=C1C[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914733 ACQSSVHQYWANGK-YOEHRIQHSA-N 353.368 3.969 30 50 FHEA COc1ccc(C(=O)C[n+]2cccc3ccc4cccnc4c32)cc1OC 43191253 UTFGWHPDTZJRBW-UHFFFAOYSA-N 359.405 3.576 30 50 FHEA N#Cc1cccc(-c2cccc(C(=O)N3CCN(C4CCCCC4)CC3)c2)n1 426398030 IQJAAEUUKWOUHF-UHFFFAOYSA-N 374.488 3.711 30 50 FHEA C=CCc1cc(CN2Cc3ccccc3[C@@H](O)C2)cc(OC)c1OCC 820505599 GFWFHVRNLBPDKK-FQEVSTJZSA-N 353.462 3.872 30 50 FHEA C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccn1 5100965 VJMGJLQKQLBAGL-UHFFFAOYSA-N 365.462 3.565 30 50 FHEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1 2325808214 GIDRBJXVBNFAFU-KSFYIVLOSA-N 373.493 3.834 30 50 FHEA C[C@H](c1ccc2ccccc2c1)N(C)Cc1cc(O)n2ncc(C#N)c2n1 2325873441 HLIAGALWROKPTD-CQSZACIVSA-N 357.417 3.653 30 50 FHEA C#CCCC1(CCC(=O)Nc2nnc(COc3ccccc3F)s2)N=N1 2325893493 RDMZWHIIRQEQTN-UHFFFAOYSA-N 373.413 3.550 30 50 FHEA CC(C)=NOc1nc(N)nc(Nc2ccccc2SC(F)(F)F)n1 4421395 HZMYUIRUUKPKOE-UHFFFAOYSA-N 358.349 3.584 30 50 FHEA CCOc1cc(C#N)c(NC(=O)COc2ccccc2C)cc1OCC 1080186 CEBHRSOMTJNCAW-UHFFFAOYSA-N 354.406 3.682 30 50 FHEA CN(C)c1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)cc1 252429424 MVOSBXFNGZBZLU-UHFFFAOYSA-N 357.870 3.835 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(Cn2ccnc2C(C)C)[nH]n1 12430857 WZPDVSKYTVFLSZ-NVXWUHKLSA-N 353.470 3.513 30 50 FHEA COc1ccc(-c2nsc(NC(=O)c3ccc(C#N)cc3C)n2)cc1 122165903 SSPYPVZJZXKYRE-UHFFFAOYSA-N 350.403 3.646 30 50 FHEA O/C(=N/CCc1ccc2ccccc2n1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 329624486 SLCTXIQGYCLXSL-UXHICEINSA-N 365.477 3.725 30 50 FHEA CN1CC/C(=C/c2ccc(C#N)cc2)C(=O)/C(=C/c2ccc(C#N)cc2)C1 170591037 BJITVKPSTKRARS-VZHHCOETSA-N 353.425 3.802 30 50 FHEA Cc1c(C#N)c(N2CCC([C@H](O)c3cccnc3)CC2)nc2ccccc12 1857670748 YLYFKWZYBIZLIK-NRFANRHFSA-N 358.445 3.760 30 50 FHEA CCC(CC)c1nnc(N=C(O)c2coc(C3CCOCC3)n2)s1 329955690 PFLDJFYBIKZOHO-UHFFFAOYSA-N 350.444 3.960 30 50 FHEA CN(c1nc2cccc(C#N)c2n1C)[C@H]1CCCN(Cc2ccccc2)C1 2325859870 OAMZFRPMJNFXKL-IBGZPJMESA-N 359.477 3.546 30 50 FHEA C=CCN1C(=O)C(C)(C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 860995 HNLCMFGQFJRQSY-UHFFFAOYSA-N 365.389 3.553 30 50 FHEA COc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1OC 22200049 PVPMXVRPUSRNMX-HYARGMPZSA-N 373.884 3.509 30 50 FHEA O/C(=N/[C@H](c1ccccc1)[C@@H]1CCCO1)N1CCC(OCC2CC2)CC1 329823210 ZKBKHFRHWGKZRJ-VQTJNVASSA-N 358.482 3.712 30 50 FHEA N#Cc1c(F)c(Br)cc(Cl)c1I 36532903 RVZPTIJVLPYMHN-UHFFFAOYSA-N 360.351 3.718 30 50 FHEA Cc1ccc2[nH]c(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c(C)c2c1 151347288 WNXRQCNXXAPIRG-LJQANCHMSA-N 372.472 3.635 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](C)c2nnc(-c3ccccc3F)s2)N=N1 1875382374 ZEFTUHLMULDFIR-LBPRGKRZSA-N 371.441 3.877 30 50 FHEA COc1ccc2c(c1)OC[C@H](/N=C(/O)N1CCC[C@H]1c1cccs1)C2 328994169 JFHMJJCUNQBKEC-ZBFHGGJFSA-N 358.463 3.811 30 50 FHEA C=CCn1c(=O)c(C(=O)Nc2ccccc2Cl)c(O)c2ccccc21 5444046 ARFVILYLZZFANW-UHFFFAOYSA-N 354.793 3.799 30 50 FHEA COc1ccc(NC(=N/c2nc(C)cc(C)n2)/N=C(\O)C(F)(F)F)cc1 4702855 WUWINLFMWKFSAK-UHFFFAOYSA-N 367.331 3.720 30 50 FHEA CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCc2c(F)cc(F)cc2C1 134304505 DGLVXMQHKPZAEJ-UHFFFAOYSA-N 356.372 3.579 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1Cc1ccccc1 635045 ZIEBGJKZJHOSJW-MRXNPFEDSA-N 353.462 3.929 30 50 FHEA CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@@H]1c1ccc(Cl)cc1 22034598 HNEPUTKSLWHTHS-GFCCVEGCSA-N 361.854 3.503 30 50 FHEA O=C1c2ccccc2N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1O 651712 QXURFQSYEYFVLP-QGZVFWFLSA-N 351.318 3.811 30 50 FHEA aggregator N#CC1(C#N)[C@H](c2cccc(F)c2)O[C@@]23CCCCC[C@H]2[C@@]1(C#N)C(=N)O3 245325650 GVGVMAUFZVITNQ-CPLUKWAASA-N 364.380 3.725 30 50 FHEA CC(C)(C)OC[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 95616917 MWRZFXOQMUTNRK-OAHLLOKOSA-N 367.445 3.908 30 50 FHEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 1010049 WXFWYEUEBIQUDN-OAQYLSRUSA-N 373.456 3.997 30 50 FHEA CCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O 102192623 RTCZJPCPBSBOKB-DLBZAZTESA-N 367.467 3.875 30 50 FHEA Cc1c(C#N)c(N2CCC[C@H](OCc3ccccn3)C2)nc2ccccc12 1857678055 RKEUJDASAGPSMT-SFHVURJKSA-N 358.445 3.996 30 50 FHEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(Cc2csc3ccccc23)C1 328625054 KISGCYDFUOVGPM-SFHVURJKSA-N 356.451 3.670 30 50 FHEA Cn1ccnc1-c1cccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c1 426531584 KQQDRADPELNFKY-UHFFFAOYSA-N 370.456 3.785 30 50 FHEA N#Cc1ccc(-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3O)cc2)cc1Cl 426612952 SRDWDRFOWLZUPQ-OALUTQOASA-N 354.837 3.912 30 50 FHEA Cc1nc(C)n(CCCNC(=O)c2cccc(-c3ccc(C#N)cc3C)c2)n1 299788852 TYUWEIMNZDXVGE-UHFFFAOYSA-N 373.460 3.562 30 50 FHEA C=CCOCC(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 729649847 GAHAZNKPTCVOCE-OAHLLOKOSA-N 355.221 3.677 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)CCN1Cc2ccccc2C1=O 55108183 KXGKGWBICOQINR-UHFFFAOYSA-N 354.475 3.617 30 50 FHEA Cc1cc(C)c(C#N)c(N2CCC(c3nccn3Cc3ccncc3)CC2)n1 91381030 IUASSVJBFWWIJG-UHFFFAOYSA-N 372.476 3.594 30 50 FHEA N#C[C@@H](C(=O)NCc1cccc(F)c1)C(=O)c1ccc([C@H]2CC2(F)F)cc1 1875293549 VACRTTNSBASJMJ-IAGOWNOFSA-N 372.346 3.587 30 50 FHEA CCc1ncc(CNc2nc3ccc(Br)cc3cc2C#N)[nH]1 2325860042 VQMUUQGPIFHCAH-UHFFFAOYSA-N 356.227 3.767 30 50 FHEA COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC 20188461 VNAAJINVCSSVRV-HYARGMPZSA-N 373.884 3.509 30 50 FHEA C=CCN(Cc1ccco1)C(=O)CCc1nc(-c2cccc(C)c2)no1 55183381 QROXYBBWRVESNR-UHFFFAOYSA-N 351.406 3.785 30 50 FHEA Cc1cc(Cn2ccnc2-c2cc(C#CCO)cs2)c(C(F)(F)F)o1 72447083 VPKGZCHOACENFD-UHFFFAOYSA-N 366.364 3.924 30 50 FHEA N#Cc1ccc(F)c(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 286124902 GKHONPSIFPIQGN-DLBZAZTESA-N 356.401 3.659 30 50 FHEA COc1cc(-c2c(C)c([C@H]3CC3(C)C)nc(N)c2C#N)cc(OC)c1O 71747691 MNZKRXCVVUYARI-CYBMUJFWSA-N 353.422 3.747 30 50 FHEA C/C(=N\N1CCN(c2ccccc2)CC1)c1cccc(Br)c1 5033693 QSYZXDSPKATJJG-HMMYKYKNSA-N 358.283 3.995 30 50 FHEA O=C(O)c1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1 1478820 WPQXGTROOGCSLD-GIJQJNRQSA-N 358.810 3.841 30 50 FHEA COc1ccc(C(=O)/C=C(\Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 1883513 JIMJUMPNZIVAAK-GDNBJRDFSA-N 365.307 3.977 30 50 FHEA C=C(C)CSc1nnc(CNC(=O)OC(C)(C)C)n1-c1ccccc1 4865789 LSDVZOLSDLSPCN-UHFFFAOYSA-N 360.483 3.960 30 50 FHEA Cc1ncc(/C(O)=N/[C@@H](C)C2CCN(CC(F)(F)F)CC2)c(C2CC2)n1 329816588 DZJNEBSNHUQJGL-NSHDSACASA-N 370.419 3.630 30 50 FHEA O/C(=N/[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCOCC(F)(F)C1 329677141 VCDZRPRQIHRKKT-OAHLLOKOSA-N 366.408 3.705 30 50 FHEA O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 13477823 DPQWYLXGIKBTOQ-CQSZACIVSA-N 361.810 3.710 30 50 FHEA Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(C#N)cc1 1146003 IZTGFNUGRRWUEX-UHFFFAOYSA-N 359.223 3.955 30 50 FHEA C[C@@H]1[C@H](/N=C(/O)[C@@H]2CCCc3cccnc32)CC(=O)N1Cc1ccccc1 329796960 FFPTXMSNCZBVEK-ATZDWAIDSA-N 363.461 3.648 30 50 FHEA C[C@]12CCC(=NNC(N)=S)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 252680296 YSALUCJHTGLMGQ-FGKVXCHISA-N 363.571 3.579 30 50 FHEA biogenic O/C(=N/CC1(c2ccncc2)CCCC1)c1coc(C2CCOCC2)n1 328733694 HZBXEXXTLMSHEW-UHFFFAOYSA-N 355.438 3.780 30 50 FHEA CCCN(CC#Cc1ccccc1)C(=O)c1ccc(C#CC(C)(C)O)cc1 55166342 JUEUBDJQGAXVOD-UHFFFAOYSA-N 359.469 3.713 30 50 FHEA CC(=O)/C=C(\O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C)n[nH]1 100314770 UYIXQQPGWUSDJI-YWEYNIOJSA-N 366.208 3.747 30 50 FHEA CN1CCC(O)(Cn2cnc(-c3ccccc3)c2-c2cccc(C#N)c2)CC1 65433643 UWZKDPJFXMJLGW-UHFFFAOYSA-N 372.472 3.545 30 50 FHEA N#CC1CCN(C(=O)NCC[C@@H](c2ccc(F)cc2)c2ccco2)CC1 426523760 ZHAXJALQPOPKMX-SFHVURJKSA-N 355.413 3.886 30 50 FHEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cccnc1 244724647 MXZDWHJOWZQQHS-UHFFFAOYSA-N 350.234 3.818 30 50 FHEA C=CCc1cc(CN2CCN(C3CCCC3)C(=O)C2)ccc1OC(C)C 820505610 GWNCGBYWIPJGIQ-UHFFFAOYSA-N 356.510 3.789 30 50 FHEA N#Cc1ccc(-c2cccc(CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)s1 170619277 DXJNBSBXTIFYEX-STEAMIEHSA-N 360.438 3.594 30 50 FHEA CN1CCc2nc(SCc3ccccc3Br)c(C#N)cc2C1 19851641 CLKZQJVBFYJDQJ-UHFFFAOYSA-N 374.307 3.996 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)CCNC(=O)c1ccccc1F 952960997 XWYAUTXENAPYAT-UHFFFAOYSA-N 360.454 3.530 30 50 FHEA COc1cccc(-c2cc(C#N)c(NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 948977 RFRRYNWJHHDANY-UHFFFAOYSA-N 363.329 3.987 30 50 FHEA CCN(CC)C(=O)CSc1nc(C2CC2)cc(C(F)(F)F)c1C#N 664126 NGXPMIXCBUIZLY-UHFFFAOYSA-N 357.401 3.810 30 50 FHEA N#Cc1ccc(C(F)(F)F)c(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 286418806 QVFJCMOTKKDXLZ-MNOVXSKESA-N 352.278 3.574 30 50 FHEA C(=NN1CCN(c2ccccn2)CC1)c1ccc(OCc2ccccc2)cc1 238882204 CSMUIIHZLFOIRP-UHFFFAOYSA-N 372.472 3.817 30 50 FHEA O=C1/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)Oc2c(Cl)cc(Cl)cc21 299738315 UHUSGKMONAQNMY-BASWHVEKSA-N 368.128 3.929 30 50 FHEA Cc1cc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)ncn1 12000685 QSZUKFLLRYJFRS-NSHDSACASA-N 358.492 3.716 30 50 FHEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12 3082010 CZYWJBOBGTWTKP-UHFFFAOYSA-N 366.442 3.556 30 50 FHEA C=CCN(Cc1ccccc1Cl)C(=O)c1cccc(-n2cnnc2)c1 55098866 KLFPRIWCTWTMOQ-UHFFFAOYSA-N 352.825 3.749 30 50 FHEA N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCCC2 239306213 GOBRYYYVULIYOP-IYVPYFHTSA-N 370.474 3.740 30 50 FHEA COc1ccc2c(c1)CCC/C2=N/OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 5060376 AMKNKIKTAKVVBI-SILNSSARSA-N 370.361 3.509 30 50 FHEA CCOC(=O)c1noc(C)c1CSc1nc(C(F)F)cc(C)c1C#N 13641166 BUWSFDUYLYFVRF-UHFFFAOYSA-N 367.377 3.965 30 50 FHEA COc1ccc(Br)cc1/C=N/N1CCN(c2ccccc2)CC1 946012 JZTOUHZXNILKLB-XSFVSMFZSA-N 374.282 3.614 30 50 FHEA Brc1ccc(OCc2ccccc2)c(/C=N/n2cnnc2)c1 1185318 FVKXYJFOJJGWEU-AWQFTUOYSA-N 357.211 3.502 30 50 FHEA CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)S1 1133837 JEDKGJQLWCGUCN-YVLHZVERSA-N 370.405 3.511 30 50 FHEA CCOC(=O)C1=C(c2ccccc2)NC(=S)[C@@H](C#N)[C@H]1c1ccccc1 3883681 PZWSRGFTFGHOTK-DLBZAZTESA-N 362.454 3.815 30 50 FHEA in-vitro Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 2781031 BNEIDZXSFSSPNM-SECBINFHSA-N 368.384 3.832 30 50 FHEA CC(N=Nc1cccc(S(=O)(=O)O)c1)=NNc1nc2ccccc2o1 252678893 HGOAONCFDNMIQY-UHFFFAOYSA-N 359.367 3.604 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)N=N1 952879722 GVFUQMWQQCRPHC-UHFFFAOYSA-N 362.437 3.576 30 50 FHEA C=C(Br)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H](C)CCCC)C2 2325868430 ZFDPEEYNBGLIKC-RCBQFDQVSA-N 357.336 3.833 30 50 FHEA CCCn1cnnc1CN(C)C(=O)c1ccc(-c2ccc(C#N)cc2C)cc1 584885336 PWRXUSWZWHGSOZ-UHFFFAOYSA-N 373.460 3.807 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)N=N1 1875381975 MPRQBGGABFGWRY-UHFFFAOYSA-N 368.437 3.506 30 50 FHEA C=CCc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=O)c(OC)c1 2874582 IZFOEADKMRSFJC-UHFFFAOYSA-N 357.362 3.602 30 50 FHEA Cc1ccc2c(C(=O)N3CCC[C@@H](C#N)C3)cc(-c3cncnc3)nc2c1C 63855722 GBKKGYSEIXLJOR-INIZCTEOSA-N 371.444 3.684 30 50 FHEA CC(=O)Nc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)cc1 1390549 PICQLLZSJKRXHJ-SFHVURJKSA-N 364.449 3.877 30 50 FHEA CC(C)OC(=O)c1ccccc1Oc1cc(C#N)c(C#N)cc1[N+](=O)[O-] 1427049 DCEVTTBQDKAKNB-UHFFFAOYSA-N 351.318 3.696 30 50 FHEA N#Cc1ccc(-c2nnc(CNC3[C@H]4CC[C@H]3Cc3ccccc3C4)o2)cc1 376551810 IYHKSQYOHQHLOF-PMACEKPBSA-N 370.456 3.891 30 50 FHEA Cn1cc(-c2cc(-c3ccc(C(F)(F)F)cc3F)nc(N)c2C#N)cn1 71753778 ZYJNPKBXHDJKII-UHFFFAOYSA-N 361.302 3.761 30 50 FHEA C[C@@H](Cc1ccsc1)NC(=O)N1CCC(C#N)(c2ccccc2)CC1 426488191 JJARGLAAWRQQPA-INIZCTEOSA-N 353.491 3.946 30 50 FHEA COc1ccc(C(=O)C[N@+]2(C)CCc3[nH]c4ccccc4c3C2)cc1F 245246046 GOJVNOUQXOSGCF-XMMPIXPASA-N 353.417 3.701 30 50 FHEA COc1ccc(C(=O)C[n+]2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1 95883848 DBWJYMHRSBSPKZ-UHFFFAOYSA-N 358.421 3.513 30 50 FHEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1)c1ccccc1 5409290 DIKVMMZJRFFMIW-IBGZPJMESA-N 356.381 3.865 30 50 FHEA Cc1ccc(Sc2ccc(NC(=O)N[C@@H]3CNC[C@@H]3C#N)cc2)cc1C 841033524 PZNOTYMITQRDRU-HNAYVOBHSA-N 366.490 3.688 30 50 FHEA COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 755577 LTKHZOZGVFQKIB-UHFFFAOYSA-N 354.402 3.832 30 50 FHEA N#C[C@H]1N(C(=O)Cc2cccc(Cl)c2Cl)CCC[C@@]12CCCCO2 329846662 MGYOKCLTOULCSX-QAPCUYQASA-N 367.276 3.990 30 50 FHEA COc1ccc(CC/N=C(/O)N2CC[C@H](C(F)(F)F)C2(C)C)c(OC)c1 330963702 MBWKKQMDGYCLIU-HNNXBMFYSA-N 374.403 3.823 30 50 FHEA CC1(C)OB([C@@H]2CCN(C(=O)N3CCC[C@H]3c3ccncc3)C2)OC1(C)C 1875366779 VNVNZQWZMWLTFT-SJORKVTESA-N 371.290 3.507 30 50 FHEA C#CCSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 2117659 QIAHJBUKSVCWRZ-UHFFFAOYSA-N 350.487 3.931 30 50 FHEA CCn1cc(Br)c(C(=O)/C=C/c2cc(OC)ccc2OC)n1 6635987 NIIBTDXJIGAHAQ-FNORWQNLSA-N 365.227 3.579 30 50 FHEA CC(C)(C)OC(=O)n1cc(I)c2ccc(C#N)cc21 498050921 QWKKBCZEHPMXIN-UHFFFAOYSA-N 368.174 3.901 30 50 FHEA CC[C@@H]1CC[C@H](/C(O)=N/[C@H](c2nc(C(C)C)no2)C2CCOCC2)O1 328611528 LYAMFBKFZDBARJ-KFWWJZLASA-N 351.447 3.575 30 50 FHEA Cc1cc(C)cc(C[C@H](C)/N=C(/O)NC2CCN(c3nccs3)CC2)c1 329324142 HXJXZJVGUXDEJD-INIZCTEOSA-N 372.538 3.864 30 50 FHEA Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2)no1 13003406 KJMIQYAJIUANBL-KRWDZBQOSA-N 364.357 3.667 30 50 FHEA C=CCN(Cc1ccc(F)cc1)C(=O)[C@H](CC)N1Cc2ccccc2C1=O 55325149 WJZIRTFEXJFHAL-FQEVSTJZSA-N 366.436 3.775 30 50 FHEA C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 16225969 JNHFLUWQGXNFEL-WQRHYEAKSA-N 366.442 3.772 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(OC)cc1OC 170618285 VPFMWHCANMIGOM-OXQOHEQNSA-N 370.401 3.616 30 50 FHEA O=[N+]([O-])c1ccc(/C=N/c2ccccc2I)cc1 86040469 PWJVCDHQZPKKJA-OQLLNIDSSA-N 352.131 3.950 30 50 FHEA C[C@@H](C(=O)O)N(CCC#N)C(=O)OCC1c2ccccc2-c2ccccc21 958527941 HMHBDEIAPKXOFU-AWEZNQCLSA-N 364.401 3.624 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OC)c2OC)cc1 1473634 FGJZHGMTSRAKPP-YBFXNURJSA-N 370.434 3.516 30 50 FHEA C[C@H]1C(=O)CC[C@@H]1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 1875389255 HYYDHTWPOKJOSF-CKYFFXLPSA-N 367.232 3.646 30 50 FHEA Cc1ccc(/N=C2\N=C(O)C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)N2)cc1 1287956 LUYKLQWCOUEJHG-HNNXBMFYSA-N 374.803 3.732 30 50 FHEA C=C/C=C/CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O 3875844 VJFUPGQZSXIULQ-QYVAASDLSA-N 372.461 3.711 30 50 FHEA biogenic,in-vitro C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)CC(C)(C)C 7759662 AVAKXGMWSYODBG-UHFFFAOYSA-N 373.453 3.705 30 50 FHEA CCCCCCCCOn1cccc/c1=N\S(=O)(=O)c1ccccc1 105940363 RYOJKKSYOZUVFY-FMQUCBEESA-N 362.495 3.567 30 50 FHEA C=CCn1cc(CN2CC(=O)Nc3ccccc3[C@@H]2c2ccccc2)c(C)n1 63872391 IXDVMJLUYLVLSX-QHCPKHFHSA-N 372.472 3.921 30 50 FHEA N#Cc1ccccc1CN1CCC(OC(=O)Cc2ccccc2Cl)CC1 170629746 GOTWOMNPCGOHEJ-UHFFFAOYSA-N 368.864 3.962 30 50 FHEA CC1(C)OB(c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)OC1(C)C 169745813 VQRALZPLWWICTD-UHFFFAOYSA-N 357.646 3.892 30 50 FHEA in-vitro Brc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1 19771444 HIKONUUVCMZDNT-XSFVSMFZSA-N 358.283 3.601 30 50 FHEA COc1ccc(-c2ccnc(C3CCN(C(=O)C#CC(C)C)CC3)n2)cc1 952895210 XYXIQRVBSGENKL-UHFFFAOYSA-N 363.461 3.518 30 50 FHEA N#Cc1cccnc1SCC(=O)Nc1ccc(Br)cc1F 7051466 GHYSPHZXEHVXFB-UHFFFAOYSA-N 366.215 3.586 30 50 FHEA N#Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCN(C4CCCC4)C3)cc2)cn1 426477675 DRESUKXCCIPZTF-KRWDZBQOSA-N 374.488 3.615 30 50 FHEA CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 95707712 RSWKGRCCLAUGLO-UHFFFAOYSA-N 374.121 3.991 30 50 FHEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccncc1 244724704 MZCKGPWIGOCOEV-UHFFFAOYSA-N 350.234 3.818 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 19087869 AJEGYZVDGWBKKJ-MRXNPFEDSA-N 368.389 3.924 30 50 FHEA CCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(-c3ccccc3C#N)o1)C2 212828180 UZOZVDKIIUJGEQ-MSOLQXFVSA-N 363.461 3.651 30 50 FHEA COc1cc(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1O 20500275 SZMWLCPFLYGSDX-UHFFFAOYSA-N 373.836 3.755 30 50 FHEA OCC#Cc1csc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 65460627 DEBJJXQOLNYWFI-INIZCTEOSA-N 352.459 3.613 30 50 FHEA O/C(=N/[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ncc(Cc2ccc(F)c(F)c2)s1 329899675 NDMFIOOWKPQVET-VCTAVGKDSA-N 365.405 3.658 30 50 FHEA N#C[C@H](NC(=O)CCc1ccc(F)cc1)c1cccc(Br)c1 127798243 CCKMUWFXMUCMTR-INIZCTEOSA-N 361.214 3.902 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)O3)C1=O 217743256 QNSDMFODWWVWDW-ZDUSSCGKSA-N 364.353 3.725 30 50 FHEA biogenic Cc1ccc(S(=O)(=O)/C(=C\N(C)C)C(=O)c2ccc(Cl)cc2)cc1 100254896 SDQHRTHKAGPFIL-ATVHPVEESA-N 363.866 3.708 30 50 FHEA COC(=O)c1ccc(/N=C/c2cc(Br)ccc2O)c(F)c1 100542757 MVKPGHGMXQHCQC-QGMBQPNBSA-N 352.159 3.831 30 50 FHEA Cc1ncsc1CN(Cc1ccccc1)C(=O)c1cc(C#N)cn1C 952975623 FUAFDTAINKTMTC-UHFFFAOYSA-N 350.447 3.504 30 50 FHEA COc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 100119741 UFJCLJJJMKCACZ-UHFFFAOYSA-N 362.429 3.884 30 50 FHEA C[C@@H]1Cc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 252457187 LEENUWDLILAWHQ-PBHICJAKSA-N 354.413 3.675 30 50 FHEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(F)c2)cc1 6819622 YZIKUPLKYXFVGO-MAUKXSAKSA-N 365.404 3.839 30 50 FHEA CCCC(NCCc1ccc(OCC)c(OCC)c1)=C1C(=O)CCCC1=O 100157043 FQBGXRJMMSNQQQ-UHFFFAOYSA-N 373.493 3.992 30 50 FHEA Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)o1 280406641 YDELWMVOUFIDID-UHFFFAOYSA-N 369.812 3.942 30 50 FHEA CCc1nnc(/N=C(\O)c2sc3nc4c(cc3c2N)CCCC4)s1 5892943 GIMPICQLQBOXIP-UHFFFAOYSA-N 359.480 3.808 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 626265 GFDTWMMIHOBFFQ-SFHVURJKSA-N 355.434 3.559 30 50 FHEA Cc1ccc(S(=O)(=O)/N=C(\O)Nc2cccc(C(F)(F)F)c2)cc1 778331 JTYKBWIINXWTMG-UHFFFAOYSA-N 358.341 3.729 30 50 FHEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3cccc(C)c3)o2)cc1 170623853 GBUAKVBQBAOTOK-UHFFFAOYSA-N 352.415 3.804 30 50 FHEA CC[C@H](C/N=C(/O)N1CCOC[C@H](C2CCC2)C1)Oc1ccccc1F 330196877 RADPIPVEKGUXDN-IAGOWNOFSA-N 364.461 3.646 30 50 FHEA C=CCOC(=O)c1cccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)c1 12343859 XWSXWWBPYGVJDH-GDNBJRDFSA-N 371.439 3.778 30 50 FHEA C#CCCC1(CCC(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)N=N1 2325894811 QNHOOKAPNQGOBR-HXUWFJFHSA-N 366.509 3.855 30 50 FHEA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C#N)C1 239128712 KQWSFSCGHQOOKF-MRVWCRGKSA-N 358.463 3.740 30 50 FHEA CC1(C)OB(c2cc(F)cc(C#N)c2OCc2ccccc2)OC1(C)C 606241640 MDRRMYPFEVEYLO-UHFFFAOYSA-N 353.202 3.576 30 50 FHEA O=C(Nc1cccc(Br)c1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@H]3[C@H]12 254518132 XNPGYHSGWLDFRE-CVRTUJKGSA-N 364.239 3.810 30 50 FHEA Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3C)S2)cc1 5584076 CXFHIAMIGKRVDC-MRXNPFEDSA-N 353.447 3.551 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)N=N1 2325885346 WWWYKSQYNMFEIG-UHFFFAOYSA-N 366.465 3.853 30 50 FHEA C#CCCC1(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)N=N1 2325893625 KWIAQUCNFZTCEO-UHFFFAOYSA-N 369.428 3.992 30 50 FHEA O=C1C[C@H](N2CCN(c3ccccc3)CC2)C=C1Nc1ccc(Cl)cc1 4347689 KCLWVAYPAFNJFB-LJQANCHMSA-N 367.880 3.799 30 50 FHEA C=CCn1nc(C)c([C@@H]2c3nc[nH]c3CCN2Cc2cc(C)c(C)o2)c1C 72426109 FZWJLZOCHSGVHT-OAQYLSRUSA-N 365.481 3.767 30 50 FHEA C[C@H](C(O)=Nc1ccc(F)c(F)c1)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 328713086 RWYPDKMIEYLYKG-DAXOMENPSA-N 372.419 3.995 30 50 FHEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1ccccc1 8578829 ONGNCADZJOQNFG-ZDUSSCGKSA-N 353.447 3.633 30 50 FHEA CC1(C)OB(c2ccc(C(F)(F)F)cc2N2CCCCC2=O)OC1(C)C 170005065 WBXCDCYRBOMUGZ-UHFFFAOYSA-N 369.192 3.522 30 50 FHEA CC[C@H](OC1CCCCC1)C(=O)N1CCCN(c2ccccc2C#N)CC1 177903178 IXENJJOPRRFWNS-NRFANRHFSA-N 369.509 3.725 30 50 FHEA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C#N)C1 239128711 KQWSFSCGHQOOKF-KWCYVHTRSA-N 358.463 3.740 30 50 FHEA C=CCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cccc(OC)c2)cc1 12477559 BKUBASVYHFFKMH-FQEVSTJZSA-N 364.445 3.868 30 50 FHEA Cc1ccc(Sc2ccc(NC(=O)N[C@H]3CNC[C@H]3C#N)cc2)cc1C 841033522 PZNOTYMITQRDRU-BEFAXECRSA-N 366.490 3.688 30 50 FHEA C=CC[C@H]1CC=C[C@H](CCCC)N1C(=O)CCn1c(C)cc(C)nc1=O 55133401 HHTQUCVQFRVBJQ-OALUTQOASA-N 357.498 3.542 30 50 FHEA CC(=O)Nc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)cc1 1390550 PICQLLZSJKRXHJ-GOSISDBHSA-N 364.449 3.877 30 50 FHEA COc1ccccc1/C=C/C=N/N1CCN(c2ccccc2OC)CC1 1743387 IOEFSUWPUYWYBZ-FHGPVCLNSA-N 351.450 3.525 30 50 FHEA C#CCCC1(CCC(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)N=N1 952883734 ZFOPSNBJUWKBHN-HXUWFJFHSA-N 366.509 3.932 30 50 FHEA O=C1C(Cl)=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 100323874 LXVBTGUJNQBBFO-CYVLTUHYSA-N 366.225 3.837 30 50 FHEA CN(C)CCCN(C)C(=O)c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 426739635 FUXCPCUFOJZJKL-UHFFFAOYSA-N 355.869 3.902 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccco1 170615239 QDCJHQLVMWQXPC-XLIONFOSSA-N 370.401 3.616 30 50 FHEA Cc1n([C@@H]2/C(=N/O)CCc3ccccc32)c2c([n+]1[O-])-c1ccccc1CC2 16363234 JVAHMFFXKIHYBZ-VWXXCCROSA-N 359.429 3.561 30 50 FHEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)cc2)c1 5408637 PJDAGGJDWHDQCR-XDHOZWIPSA-N 354.435 3.897 30 50 FHEA Cc1cc(Cn2nc(-c3ccc(F)c(Cl)c3)ccc2=O)ccc1C#N 2325854705 QULFQCFOYMVJJN-UHFFFAOYSA-N 353.784 3.931 30 50 FHEA C[C@H](Nc1c(C#N)cnc2cnccc12)[C@H](O)c1c(F)cccc1Cl 2325855111 IKILOWAOAGIDHT-YPMLDQLKSA-N 356.788 3.828 30 50 FHEA C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 4842192 AQURCBKLQRXXMM-UHFFFAOYSA-N 350.418 3.740 30 50 FHEA CCn1c2ccccc2c2nnc(N/N=C/c3ccc(N(C)C)cc3)nc21 4991182 LBHLIWIJRGXCSU-FYJGNVAPSA-N 359.437 3.511 30 50 FHEA CCc1nc(C)c(CNC(=O)CC2=C(c3ccccc3)CCC2=O)s1 299794994 LDRWDVPCISLDER-UHFFFAOYSA-N 354.475 3.837 30 50 FHEA O=S(=O)(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Cl)cc1 1212526 BTAQNEHVSJWVFI-YBFXNURJSA-N 360.822 3.511 30 50 FHEA O=S(=O)(/N=C(/Nc1ccc(O)cc1)c1ccccc1)c1ccccc1 6023481 VDONTALRFFJUOH-UHFFFAOYSA-N 352.415 3.640 30 50 FHEA COc1ccc([C@H]2CC(=O)C=C(NCc3ccc4c(c3)OCO4)C2)cc1 100951961 GRHQAIOTJQZNOJ-MRXNPFEDSA-N 351.402 3.544 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1nc(C)cs1 25695172 KNARYBUGTLPSNR-INIZCTEOSA-N 360.479 3.619 30 50 FHEA Cc1nc2ccc(N=C(O)N3CCC[C@@H]3Cc3ccccc3Cl)cn2n1 329459979 RSLGVBGKSQSOKH-MRXNPFEDSA-N 369.856 3.944 30 50 FHEA COC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1C 20219171 WCYSRLRZOWWOQI-UHFFFAOYSA-N 350.205 3.967 30 50 FHEA COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OC)cc2)C1=O 1144809 MYBKQNHTTQKGFL-VBKFSLOCSA-N 367.426 3.849 30 50 FHEA C#CCN1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 1146438 DJPSZVIMTVHSEW-GZTJUZNOSA-N 353.399 3.527 30 50 FHEA COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)c(OC)c1 5558539 YBFFQJGRILJJBT-VXLYETTFSA-N 374.853 3.787 30 50 FHEA C=CCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 783760 ZFBPMQWDZPJJKO-HSZRJFAPSA-N 357.409 3.833 30 50 FHEA Cc1ccc2[nH]c(=O)cc(C(=O)N(CC#Cc3ccccc3)CC(C)C)c2c1 55153722 CYMFVPPBBSSIND-UHFFFAOYSA-N 372.468 3.986 30 50 FHEA C=CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 252479372 BDTXPSMQIOEQLT-GJZGRUSLSA-N 373.467 3.688 30 50 FHEA O/C(=N/[C@@H]1CCc2nc[nH]c2C1)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 329788241 RRWFSHCFVREFBK-RVMXOQNASA-N 357.483 3.653 30 50 FHEA Cc1n[nH]c(C)c1CCCN(C)C(=O)CC1=C(c2ccccc2)CCC1=O 952990499 VRDRORQANVEUIO-UHFFFAOYSA-N 365.477 3.624 30 50 FHEA CN(C)c1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 5809990 ZWLPAIPQGKSAAW-YBFXNURJSA-N 357.870 3.835 30 50 FHEA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(C#N)(C3CCCC3)CC2)cc1 1875381554 YXHNLDXFIADCIT-UHFFFAOYSA-N 365.477 3.772 30 50 FHEA C=CCn1c(SCC(=O)c2ccccc2)nc2sc(C)cc2c1=O 1122003 MPMQDLOTYNBZFU-UHFFFAOYSA-N 356.472 3.927 30 50 FHEA Cc1ccc(S(=O)(=O)OCC/C=C/CCCO[C@@H]2CCCCO2)cc1 222333852 HYUWKPPUUIRJQQ-GVTIMSHASA-N 368.495 3.970 30 50 FHEA C=C(C)COc1ccccc1NC(=O)N1CCC(Cc2nc(C)no2)CC1 96165072 BXKMOSKECOEQNZ-UHFFFAOYSA-N 370.453 3.820 30 50 FHEA CC(C)(C#N)c1ccccc1CN1C(=O)C[C@]2(CCc3ccccc32)C1=O 180674755 FOPLLGXLLVOGKA-QHCPKHFHSA-N 358.441 3.631 30 50 FHEA COC(=O)/C=C1\CC[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257358074 RMDJMPHXGCYQJX-VQTYRIRESA-N 374.452 3.745 30 50 FHEA C=CCN(Cc1ccccc1C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 1616099768 CQBXVHMKRLMVIX-LEWJYISDSA-N 368.521 3.938 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)n1 626948 NWZWLKWHCPYGHL-LJQANCHMSA-N 354.450 3.557 30 50 FHEA CCCCCCNC1=C(C(=O)CCC)C(=O)[C@@H](C(=O)OC)C(C)(C)C1 100319721 WNVVTARKDGQMJV-KRWDZBQOSA-N 351.487 3.568 30 50 FHEA biogenic Cc1ccnc(-c2cccc(N=C(O)[C@@H]3CCO[C@H]3c3ccnn3C)c2)n1 328624727 KCKGZHLSWFPAOX-SJLPKXTDSA-N 363.421 3.551 30 50 FHEA CC[C@H](C)n1ncc(N=C(O)N2CC[C@H]3[C@H](CCCN3C)C2)c1C1CC1 328939858 SCBZWDGQMJVZHG-LESCRADOSA-N 359.518 3.693 30 50 FHEA CC(C)C(=O)N1CCC[C@H]1/C(O)=N/C[C@@H]1CCO[C@H]1c1ccc(F)cc1 329091181 WTZZJZSTPXRZBY-SZMVWBNQSA-N 362.445 3.507 30 50 FHEA N#C[C@H](NC(=O)c1csc(I)c1)C1CCCCC1 123468805 IGRJSOGODMEZMD-NSHDSACASA-N 374.247 3.555 30 50 FHEA COc1cc(OC)cc(C(=O)O/N=C2/CCCc3cc(OC)c(C)cc32)c1 5074044 MIQAKUBNFTXNFO-QOCHGBHMSA-N 369.417 3.918 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)N=N1 952880174 JLGZAXFWIFLZGV-CYBMUJFWSA-N 362.836 3.530 30 50 FHEA C#CCCC1(CCC(=O)N2CCC3(CCC(CC(=O)O)CC3)CC2)N=N1 2325900923 NSDQQEDPDSYBCT-UHFFFAOYSA-N 359.470 3.616 30 50 FHEA N#Cc1ccc(C(=O)Nc2ccccc2I)c(F)c1 4840234 ZWGGYYZDHFQERG-UHFFFAOYSA-N 366.133 3.554 30 50 FHEA C/C(=N/N=C1\NC(=O)[C@H](Cc2ccc(F)cc2)S1)c1ccc(C)cc1 5048932 UXIMQZQPEJIASD-RIWZNOJBSA-N 355.438 3.688 30 50 FHEA CCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 19849400 VLRHMUSQPRNDPO-XQNSMLJCSA-N 351.494 3.854 30 50 FHEA N#Cc1c(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)sc2c1CCCCC2 862711 RRSKSLDMAKYXOF-QWHCGFSZSA-N 360.866 3.911 30 50 FHEA CCNC(=S)N/N=C/c1cc(Cl)ccc1OCc1ccccc1F 1185101 BDTJPYFVDMDLID-UFFVCSGVSA-N 365.861 3.876 30 50 FHEA COc1ccnc(-n2cccc2/C=N/OCc2ccc(Cl)cc2)c1C#N 4024996 OHOJQUBWTOOABZ-FSJBWODESA-N 366.808 3.957 30 50 FHEA CC(C)Oc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1C#N 153578825 UNSALTGHBRWYMK-UHFFFAOYSA-N 364.380 3.923 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N/NC(N)=S 252694544 LYALGFDSSRNLPA-VRNCWOFUSA-N 363.571 3.579 30 50 FHEA biogenic COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@]12C 257357243 MVLYYRYIEZOWIZ-NSHUYRPSSA-N 356.462 3.797 30 50 FHEA O=C1CCCC2=C1C(c1ccc(OC(F)F)cc1)C1=C(CCCC1=O)N2 19863593 YNZFJFWJBIWLSX-UHFFFAOYSA-N 359.372 3.989 30 50 FHEA Cc1c(C#N)c(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)nc2ccccc12 2356165779 OALRJGWRGIUAFP-SFHVURJKSA-N 371.440 3.991 30 50 FHEA CCCCCCCCCCCCN(CCOCCO)C(=O)CCC(=O)O 100730592 BNHTWJTYKDAVDI-UHFFFAOYSA-N 373.534 3.610 30 50 FHEA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1cccc(C#N)c1)CC2 426662322 SLBLVKDYCGHCOR-RZUBCFFCSA-N 363.461 3.544 30 50 FHEA N#Cc1ccccc1-c1ccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)o1 72164664 WTCCYUZOFKUOIH-KRWDZBQOSA-N 357.413 3.713 30 50 FHEA CCSC1=N/C(=C\c2ccc(I)o2)C(=O)S1 4755431 HBFHJUKNHKMGRJ-ALCCZGGFSA-N 365.217 3.608 30 50 FHEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc([C@H]2CCCO2)s1 71738871 XIGILWXZOSRBQM-CQSZACIVSA-N 365.462 3.824 30 50 FHEA O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1ccc([N+](=O)[O-])cc1 5740284 BTXSOKNOMVDNRA-UHFFFAOYSA-N 370.388 3.980 30 50 FHEA CN(C)c1ccc(N[C@H]2CCCN(C(O)=Nc3ccsc3)CC2)cn1 328656511 ZJKOVBDCZXPCDJ-AWEZNQCLSA-N 359.499 3.721 30 50 FHEA Cc1noc([C@H](/N=C(/O)C[C@H](C)c2c(C)noc2C)C2CCOCC2)n1 329141406 UGCDSNLNWDZEJX-DYZYQPBXSA-N 362.430 3.601 30 50 FHEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccc(C#N)cc21 169746296 YDIXOIZBVRXBQH-UHFFFAOYSA-N 368.242 3.595 30 50 FHEA in-vitro CC(C)c1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)no1 266333533 AAHNUYNIPPCPSO-UHFFFAOYSA-N 354.410 3.745 30 50 FHEA C=CCN(C)Cc1ccc(C(=O)N2CCN(C(C)(C)C)CC2(C)C)cc1 2325727416 HLDFFANILPKQSC-UHFFFAOYSA-N 357.542 3.639 30 50 FHEA C=CCn1c(SCC(=O)Nc2nccs2)nnc1C1CCCCC1 17074811 ANHHFASIWFFFKF-UHFFFAOYSA-N 363.512 3.699 30 50 FHEA CC1(C)OB(c2ccc(NC(=O)Oc3ccccc3)cc2F)OC1(C)C 169747295 KELNKADYNHJFRO-UHFFFAOYSA-N 357.190 3.736 30 50 FHEA in-vitro CC(C)(C)OC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 169746767 KKEQMRLGGIYNDL-UHFFFAOYSA-N 356.630 3.734 30 50 FHEA in-vitro Cc1cc(C)cc(OCC/N=C(/O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)c1 328755868 TWHOGICKXKVHKI-QGZVFWFLSA-N 356.470 3.507 30 50 FHEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 1004078 CGUOZJAPDPOBGP-UHFFFAOYSA-N 371.462 3.693 30 50 FHEA C=CCC1(CC=C)CCCN1C(=O)COc1cccc(NC(=O)CC)c1 55385992 WECIIOYABAQJMG-UHFFFAOYSA-N 356.466 3.927 30 50 FHEA COC(=O)c1cccc(/N=C/c2cc(Br)cc(OC)c2O)c1 100278692 KUWRACDEQVRCPO-GIJQJNRQSA-N 364.195 3.701 30 50 FHEA C=CCNc1ccccc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CC1 55413686 KRFGQKNFJRJGRK-UHFFFAOYSA-N 350.418 3.818 30 50 FHEA Cn1cc([C@@H]2CCCN2/C(O)=N/[C@H]2CC(C)(C)Oc3cc(F)ccc32)cn1 330103288 GEPBLSDLSSTBPF-IRXDYDNUSA-N 372.444 3.913 30 50 FHEA Cc1nn(C)c(C)c1N=C(O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328606656 SIJJELWGLSNHAJ-WIYYLYMNSA-N 352.482 3.927 30 50 FHEA COCCn1cc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c2ccccc21 71775512 VIBUVAWFLQJJBO-UHFFFAOYSA-N 369.428 3.866 30 50 FHEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccc2ccccc2c1 82167219 DYBDMBWBENLYDP-QGZVFWFLSA-N 355.441 3.949 30 50 FHEA O=C(O)CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)COc1ccccc1 27639115 CARGFWOXPNIAKB-GPGKALODSA-N 370.445 3.555 30 50 FHEA in-vitro C=CCOc1cccc(NC(=O)N2CCC3(CCC(=O)N(C)CC3)CC2)c1 299764453 ZWZHLRSCCSCUAK-UHFFFAOYSA-N 371.481 3.508 30 50 FHEA Cc1ccccc1S(=O)(=O)/N=C(\Nc1ccccn1)c1ccccc1 2709249 PVDXYVIOQRLJOO-UHFFFAOYSA-N 351.431 3.638 30 50 FHEA CCOc1cc(C/N=C(/O)N2CC3(CCCC3)C2)ccc1OC(F)F 330228231 CJGYJDRGFAKQGQ-UHFFFAOYSA-N 354.397 3.977 30 50 FHEA CC(C)(C)c1ccc(OCCCSc2[nH]c(=N)cc(N)c2C#N)cc1 2325727590 IUQIEHBZWXHOIW-UHFFFAOYSA-N 356.495 3.807 30 50 FHEA CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1F)C(C#N)C#N 1187571 TZPOYSKAFIWLLS-RTBURBONSA-N 367.355 3.556 30 50 FHEA c1ccc(/C(Cc2ccn[nH]2)=N\N=C(/Cc2ccn[nH]2)c2ccccc2)cc1 4629575 UDSXSPSTOUWWIL-KKTFQPMKSA-N 368.444 3.812 30 50 FHEA Cn1cc([C@@H]2CCN(/C(O)=N/[C@H]3CC=C(c4ccc(F)cc4)CC3)C2)cn1 329268872 GSWLCOAENOQRBH-XLIONFOSSA-N 368.456 3.899 30 50 FHEA Cc1ccc([C@H]2C[C@@H](C)N(S(=O)(=O)Cc3cccc(C#N)c3)C2)cc1 332653487 KRRKXGZIFKRFDI-UZLBHIALSA-N 354.475 3.575 30 50 FHEA N#Cc1c(N)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2 20246636 JFVWWXWKGBBGQC-UHFFFAOYSA-N 358.776 3.832 30 50 FHEA N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91493794 USPINQAWFZYZEY-RBBKRZOGSA-N 373.500 3.727 30 50 FHEA CCOc1ccc(NC(=O)[C@@H](CN(C)C)/C(C)=N/Nc2ccccc2)cc1 5593066 OSKLLCPAFRXLMZ-NGIIGVMLSA-N 368.481 3.690 30 50 FHEA CC1CC(C#N)(C(=O)N2CC(C)(C)[C@@H]2c2nccn2-c2ccc(F)cc2)C1 952891006 RNETULIXJGBFDG-XZSJUEPFSA-N 366.440 3.861 30 50 FHEA N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC3(CC2)C(F)(F)C32CCC2)cc1 1875278571 LPALKFDDAMUTSG-QGZVFWFLSA-N 369.415 3.669 30 50 FHEA CC(C)C(=O)N1CCC[C@@H]1/C(O)=N/C[C@@H]1CCO[C@H]1c1ccc(F)cc1 329091179 WTZZJZSTPXRZBY-JQHSSLGASA-N 362.445 3.507 30 50 FHEA Cc1ccc([C@@H]2CN(C(=O)c3ccccc3C#N)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95379938 QKZXMAGDJALSLX-YTFSRNRJSA-N 371.484 3.569 30 50 FHEA Brc1ccccc1C=NN1CCN(Cc2ccccc2)CC1 244659771 HIKONUUVCMZDNT-UHFFFAOYSA-N 358.283 3.601 30 50 FHEA N#Cc1ccc(CN2CCC(Nc3cccc(OCC(F)F)n3)CC2)cc1 183499735 NUFOJGGCUXEWNX-UHFFFAOYSA-N 372.419 3.674 30 50 FHEA C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](C)COc1ccccc1C(F)(F)F 225589264 QRNVRZGUOQPWJP-CKEIUWERSA-N 371.399 3.960 30 50 FHEA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(CC#Cc2ccccc2)C1 55153329 MGUVVMSWABHOJR-GOSISDBHSA-N 351.421 3.781 30 50 FHEA O=C1N=C2C=CC=C3C(=O)c4ccccc4C(=C1NCCc1ccccc1)[C@@H]32 146050685 QVEVXIXBUORVGE-FQEVSTJZSA-N 366.420 3.520 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cc(OC)cc(OC)c1 170618289 ZHORSRSJWUTTPD-YLJYHZDGSA-N 370.401 3.616 30 50 FHEA COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2cccc(Cl)c2)S1 1220118 FONFWOADZKUQFU-MBTVCVBTSA-N 373.865 3.513 30 50 FHEA CCOc1cccc(/C=N/n2c(-c3ccc(OC)cc3)n[nH]c2=S)c1O 1239417 XXJZQKJFWSZHDZ-YBFXNURJSA-N 370.434 3.603 30 50 FHEA Cc1cccc(C(=O)Nc2cc(C#N)c3sc4ccccc4n3c2=O)c1 14291596 LRZGXBYKVQWOHB-UHFFFAOYSA-N 359.410 3.947 30 50 FHEA N#Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)cc1 1875271793 XBKXOGFJBXGSBP-BQFCYCMXSA-N 374.362 3.530 30 50 FHEA C=C(C)COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 7499522 ICRWZKRQVSDMOF-UHFFFAOYSA-N 354.425 3.743 30 50 FHEA COC(=O)[C@@]1(C)[C@H]2[C@H]3CC[C@]4(C)[C@@H]3[C@H]3[C@H]2[C@@H]2[C@H]1[C@@H]1CC[C@]56O[C@@]45[C@]3(C)[C@H]2[C@H]16 257347067 QOZOZVKTNHNZNM-GNJDDGSESA-N 366.501 3.517 30 50 FHEA N#Cc1cn(Cc2ccc(OCC(F)(F)F)cc2)c2ccccc2c1=O 171555179 XXSMWZFJDNZTTB-UHFFFAOYSA-N 358.319 3.863 30 50 FHEA COc1cc(/C=C/C(=O)c2c(OC)cccc2OC)cc(OC)c1OC 4252739 YMGBWNSRDPVVBC-MDZDMXLPSA-N 358.390 3.626 30 50 FHEA Sc1nnc(-c2ccncc2)n1/N=C/c1cccc(Cl)c1Cl 1475283 FTOMBUWHGBHESS-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](CCC(=O)OC)CC2CCCCC2)N=N1 2325894893 WNZUYVMMQWWRJT-KRWDZBQOSA-N 361.486 3.751 30 50 FHEA COc1cc(OC)c(-c2c(C#N)c(N)nc3c2N2CCC3CC2)cc1Cl 102854247 KAKHXERLUARVCH-UHFFFAOYSA-N 370.840 3.570 30 50 FHEA COc1ccc(-c2c(C)sc(NC(=O)CCCC(=O)O)c2C#N)cc1 2789090 XZOZFEDGZPUYRK-UHFFFAOYSA-N 358.419 3.797 30 50 FHEA N#Cc1ccc(F)c(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 328605422 NLSASOAZOBOUBS-DYESRHJHSA-N 366.440 3.587 30 50 FHEA CC1(C)OB(c2cc(Br)sc2Br)OC1(C)C 169984082 FBVYFWMGZNOTBO-UHFFFAOYSA-N 367.899 3.572 30 50 FHEA in-vitro CN(C(=O)c1ncc(C#N)cc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 329818576 GFOHHINRUXCZAB-NVXWUHKLSA-N 373.815 3.738 30 50 FHEA CCOc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(CC)CC)cc1 2840338 FJCGUYFSGDSSFT-VXPUYCOJSA-N 360.479 3.563 30 50 FHEA Cc1ccc(C)c(N/C(=N\OCc2ccc(Cl)cc2)c2nonc2N)c1 4982624 PYFAHYDXIZROBW-UHFFFAOYSA-N 371.828 3.913 30 50 FHEA COc1ccc(/C(C)=N\N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 20123655 JXNXMJAMKXYMMK-JWGURIENSA-N 357.885 3.890 30 50 FHEA C=CCn1cc(CN(C)[C@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 20539881 HIVOEPOMQHCLDI-FQEVSTJZSA-N 356.489 3.613 30 50 FHEA COc1ccccc1-c1cc(-c2c(OC)cccc2OC)c(C#N)c(N)n1 67787837 RFRBHZRKRAMSJX-UHFFFAOYSA-N 361.401 3.895 30 50 FHEA C=CCn1nc(C)c([C@H]2c3nc[nH]c3CCN2Cc2sccc2C)c1C 72463832 JYZOHPZXUGYAFZ-FQEVSTJZSA-N 367.522 3.927 30 50 FHEA COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2ccccc2C#N)C1 71747462 QQEWSONKYYCMSM-KRWDZBQOSA-N 352.409 3.801 30 50 FHEA Cc1cc(NC(=O)N2CCC[C@H](C#N)C2)n(Cc2cccc(Cl)c2)n1 299772123 ZNIMFDORCGWVMI-OAHLLOKOSA-N 357.845 3.661 30 50 FHEA C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3 65382627 OWMGEWWOGVPFLM-AWEZNQCLSA-N 367.401 3.853 30 50 FHEA O=C1C[C@H](c2ccccc2F)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914760 SICBPJSPPOLFLU-XJKSGUPXSA-N 353.368 3.969 30 50 FHEA O=[N+]([O-])c1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 4016744 RKIPDJPEXQBYAT-AWQFTUOYSA-N 353.407 3.924 30 50 FHEA O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2I)c1 16310554 FXDSSIYMPPYEIF-OVCLIPMQSA-N 368.130 3.656 30 50 FHEA CCc1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 5576568 BTUYAWYIPNWCNA-UDWIEESQSA-N 368.462 3.973 30 50 FHEA Cc1[nH]c(NC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c(C#N)c1C 2325803464 IFJKJIDUMDXEJW-GOSISDBHSA-N 364.449 3.889 30 50 FHEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 1004086 RNBMHOATAXRTQP-UHFFFAOYSA-N 362.495 3.568 30 50 FHEA COc1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)c(OC)c1 100666419 PWQDQOLCSOLVLK-UHFFFAOYSA-N 351.402 3.715 30 50 FHEA C=CCSc1nnc([C@H]2CCCN(Cc3c(F)cccc3F)C2)n1C 20295386 PTPDPPLJNYJVOG-ZDUSSCGKSA-N 364.465 3.751 30 50 FHEA O=C(O)/C(Cl)=C(Cl)\C=N\Nc1ncc(C(F)(F)F)cc1Cl 2569431 PEBHUEXAFKFJHK-YGISBFOLSA-N 362.522 3.925 30 50 FHEA N#Cc1ccc(-c2cccc(C(=O)N3CCN4CCC[C@@H]4C3)c2)cc1Cl 426690666 MPOVBCOLOAJPQP-LJQANCHMSA-N 365.864 3.799 30 50 FHEA CCOc1ccc(CCNC(CC)=C2C(=O)CCCC2=O)cc1OCC 100140260 PBWYWDNXQUYRBN-UHFFFAOYSA-N 359.466 3.602 30 50 FHEA C#CCCC1(CCC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)N=N1 952881504 OWCUYPQOAXQTNT-LJQANCHMSA-N 351.450 3.722 30 50 FHEA O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1 1056201 WQFXMBBDKDFVAK-PBHICJAKSA-N 366.402 3.629 30 50 FHEA CCOc1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 4905360 QAIDMMGBAHKNND-FPLPWBNLSA-N 356.334 3.531 30 50 FHEA O=C(C/N=C(/O)CCC1CCCC1)N1CCC[C@@]2(C1)OCc1ccccc12 330078558 IEBQYXNJCHMYTH-QFIPXVFZSA-N 370.493 3.961 30 50 FHEA N#Cc1cccc(CN2CCC(Nc3cc(Cl)nc(C4CC4)n3)CC2)c1 845762643 ABMXKNZZGPHEAE-UHFFFAOYSA-N 367.884 3.956 30 50 FHEA COc1cccc(C2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)c1 332383409 OYTUAHLIXIATIO-UHFFFAOYSA-N 355.825 3.635 30 50 FHEA COc1cc(-c2cc(-c3cc(C)oc3C)nc(N)c2C#N)cc(OC)c1O 67956180 VLVJOJRTWDIDFS-UHFFFAOYSA-N 365.389 3.802 30 50 FHEA C#CCSc1cccc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)c1 129763565 JAMGVICMAHINEW-UHFFFAOYSA-N 368.849 3.898 30 50 FHEA CC(=O)O[C@H]1CC[C@@]2(/C=N/O)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 261490499 JIIVOVFNPCJNDJ-PPTYOANNSA-N 359.466 3.890 30 50 FHEA COc1cc(C#N)c(/N=C(\NCc2ccc(F)cc2)SC)cc1OC 5675321 IHBOOUGLYVACRB-UHFFFAOYSA-N 359.426 3.855 30 50 FHEA CC(=O)N1CCC(C(=O)Nc2sc(C)c(-c3ccccc3)c2C#N)CC1 13321684 GAPIFUWCIYASJO-UHFFFAOYSA-N 367.474 3.792 30 50 FHEA COc1cccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c1OC 6922764 BVFAUFDIYXHVBZ-WJDWOHSUSA-N 354.431 3.904 30 50 FHEA C=C(C)COc1ccccc1C(=O)N[C@@H](C)c1nc(-c2cccnc2)no1 55099026 ZHCDRKDFMWZGQT-AWEZNQCLSA-N 364.405 3.578 30 50 FHEA N#Cc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)[C@H]2C=CC=C[C@H]2C4=O)cc1 219035037 UGFUGVPLBBHUQI-LSDHHAIUSA-N 351.365 3.839 30 50 FHEA N#Cc1nc(-c2ccccc2F)oc1N1CCN(c2ccccc2F)CC1 334162160 KYRKVQJNQVRKTJ-UHFFFAOYSA-N 366.371 3.818 30 50 FHEA N#Cc1ccc(F)cc1CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 286442096 WSAHNQHSRUIOHH-IAGOWNOFSA-N 356.401 3.659 30 50 FHEA COC[C@@H]1CCCCN1Cc1cccc(C(=O)Nc2sccc2C#N)c1 67726367 LNAVXNLHYHLXKT-SFHVURJKSA-N 369.490 3.873 30 50 FHEA Cc1cc(NC(=O)C2(c3cccc(Br)c3)CC2)nn1CCC#N 271152361 TXHLGXRYNDWRHC-UHFFFAOYSA-N 373.254 3.538 30 50 FHEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccco1 252694713 OUCQPFCLFGZBQQ-ACRUOGEOSA-N 353.418 3.678 30 50 FHEA biogenic CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2C#N)C[C@H]1c1ccccc1 1080026 OLWLAXYIZFLXQE-RXVVDRJESA-N 360.413 3.790 30 50 FHEA N#CC1(c2ccccc2)CCN(Cc2nnc(-c3cccc(F)c3)o2)CC1 252482894 DPWHXBXNODFNOA-UHFFFAOYSA-N 362.408 3.933 30 50 FHEA COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(F)cc2)C1=O 4755849 ZFXGOHGKSCGMGZ-PTNGSMBKSA-N 355.390 3.979 30 50 FHEA N#Cc1cccc(-c2nccn2[C@@H](CCn2cncn2)c2ccccc2)c1 71749872 GEUFQCDQPMIETP-FQEVSTJZSA-N 354.417 3.693 30 50 FHEA C=CCn1ncc(CN2CCC[C@@H](C(=O)c3ccc(OC)cc3C)C2)c1C 71774419 NHYLGPHUZDEQJX-GOSISDBHSA-N 367.493 3.789 30 50 FHEA N#C[C@@H]1N(C(=O)c2[nH]c3ccccc3c2Cl)CCC[C@]12CCCCO2 329845777 LYTZUDPTBCTCSY-HNAYVOBHSA-N 357.841 3.889 30 50 FHEA Cc1cc(=NC(=O)Nc2ncc(C3CCCCC3)s2)[nH]n1CCC#N 333168748 JUBKJINDJDSGPL-UHFFFAOYSA-N 358.471 3.675 30 50 FHEA CCN(CC)CCOC(=O)Nc1ccc(C(=O)/C=C/c2ccncc2)cc1 19880621 RKHKFZYXRMEILD-BJMVGYQFSA-N 367.449 3.868 30 50 FHEA Cc1nc(CC2CCN(Cc3ccc(-c4ccccc4C#N)o3)CC2)no1 215723391 UZVRSCGYGSOBJE-UHFFFAOYSA-N 362.433 3.964 30 50 FHEA COc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1Cl 153646476 QCSJMSBMHDSUMM-UHFFFAOYSA-N 369.852 3.573 30 50 FHEA CN(C)[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)C1 426389263 MLVPOSUUIHIDSU-LJQANCHMSA-N 351.425 3.531 30 50 FHEA C=CCSC1=N/C(=C\c2cc([N+](=O)[O-])ccc2OCC)C(=O)S1 3002122 KTJUENIMGLWAJT-XFXZXTDPSA-N 350.421 3.883 30 50 FHEA C=CCn1c(CC(C)C)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 6701181 BCBQHFZIRVTDOY-UHFFFAOYSA-N 360.439 3.546 30 50 FHEA C[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 100220422 LFGUOKSONBHVJF-UTQSGNFESA-N 370.365 3.745 30 50 FHEA C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 22107508 QNFHCWXWQLNHQX-QNGOZBTKSA-N 372.856 3.790 30 50 FHEA CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc(F)c(Cl)c2)c1 170692338 WPPWJXILHGGYKI-SOFGYWHQSA-N 353.802 3.747 30 50 FHEA N#CC1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 188176871 BPCTWUWDRQNSEA-AWEZNQCLSA-N 367.280 3.517 30 50 FHEA Cc1ccc(N2CCN(/N=C\c3ccccc3Br)CC2)cc1 5009174 KIQNNUSCZRBCCL-ZHZULCJRSA-N 358.283 3.914 30 50 FHEA C=C(C)COc1ccccc1C(=O)N[C@H](C)c1nc(-c2cccnc2)no1 55099028 ZHCDRKDFMWZGQT-CQSZACIVSA-N 364.405 3.578 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)N=N1 2325892678 WOCKQRNUSCSQKU-MRXNPFEDSA-N 367.497 3.787 30 50 FHEA C=CCOc1c(Br)cc(CNCc2ccccn2)cc1OC 6701111 QKKPTDBAEPBUJX-UHFFFAOYSA-N 363.255 3.707 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)o1 67490759 NXMSOMZUNXCMJT-AWEZNQCLSA-N 357.837 3.685 30 50 FHEA COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccccc2Cl)S1 5047602 ZUGBDQPBYHKPBD-MBTVCVBTSA-N 373.865 3.513 30 50 FHEA CC[C@H](C)[C@H](/N=C(/O)N1CCCC1)C(=O)N1CC=C(c2ccccc2C)C1 329387033 QRCKTHWUTNIRBL-JXFKEZNVSA-N 369.509 3.645 30 50 FHEA N#Cc1ccc(-c2cccc(C(=O)N3CCN4CCC[C@H]4C3)c2)cc1Cl 426690582 MPOVBCOLOAJPQP-IBGZPJMESA-N 365.864 3.799 30 50 FHEA CCN(CC)c1ccc(C=Nn2c(S)nnc2-c2ccccc2)c(O)c1 239009526 ATSJUPWBIADYLG-UHFFFAOYSA-N 367.478 3.668 30 50 FHEA O=[N+]([O-])c1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)c1 252429395 KNCDLUMHIZRQAR-UHFFFAOYSA-N 359.798 3.678 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(COc2ccc(C)nc2)on1 11938502 PVARKFMUWVBKAI-HZPDHXFCSA-N 353.422 3.692 30 50 FHEA O=C(N1CCCC1)N1CCC[C@H](/N=C(/O)[C@H]2CCCc3ccccc32)C1 329386777 PXTJCORLBZVBMR-HKUYNNGSSA-N 355.482 3.743 30 50 FHEA C#CCCC1(CCC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)N=N1 952879964 IIQYZXVWTHRAOO-IRXDYDNUSA-N 351.450 3.943 30 50 FHEA O=C(Nc1nnc(C(F)(F)F)s1)c1c(F)c(F)c(F)c(F)c1F 2869454 FDJSZGAJXUKLIO-UHFFFAOYSA-N 363.189 3.505 30 50 FHEA N#C[C@@H]1CCCN(Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 216179764 FBVBAICQHOLROQ-INIZCTEOSA-N 358.873 3.741 30 50 FHEA C[C@H](OC(=O)c1ccc(C#N)[nH]1)c1nc2cc(C(F)(F)F)ccc2n1C 162013786 URKIHCBMRATTLM-VIFPVBQESA-N 362.311 3.710 30 50 FHEA COc1ccc(C=NNc2ccccc2C)cc1Cn1cc([N+](=O)[O-])cn1 252680153 WQMVVNRWKMPWSC-UHFFFAOYSA-N 365.393 3.603 30 50 FHEA COc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 15685649 JQRNQKZKPAMDPJ-NHDPSOOVSA-N 365.393 3.852 30 50 FHEA C=CCc1cccc2cc(C(=O)Nc3ccc(OC)c(OC)c3)c(=O)oc12 1171867 GQTTWRGQJDGTAS-UHFFFAOYSA-N 365.385 3.791 30 50 FHEA Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccccc1C#N 2861270 ILSIIOHZKVHXGF-UHFFFAOYSA-N 359.223 3.955 30 50 FHEA C(/C=C/c1ccccc1)=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1 23633877 IEBLKKROBFWZJK-KJMLGPIDSA-N 362.481 3.788 30 50 FHEA CCc1nc(N=C(O)CN2CCC(F)(c3ccccn3)CC2)sc1C 329370010 AQDIXLNLNWTYKG-UHFFFAOYSA-N 362.474 3.958 30 50 FHEA N#Cc1cccc(-c2cccc(C(=O)NCC3(CN4CCCC4)CC3)c2)c1 426399105 WXLJXHJOKSECRP-UHFFFAOYSA-N 359.473 3.831 30 50 FHEA COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257357241 MVLYYRYIEZOWIZ-BKTLFZPZSA-N 356.462 3.797 30 50 FHEA CC(C)(/C(O)=N/CCc1nc(C2CCCCC2)cs1)N1CCOCC1 329307733 ZGUQDDQVHNBEFU-UHFFFAOYSA-N 365.543 3.801 30 50 FHEA Cc1ncc(COP(=O)(O)O)c(/C=N/c2ccc3ccccc3c2)c1O 2990474 VZIZLXZCTXVKTQ-KEBDBYFISA-N 372.317 3.609 30 50 FHEA C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N 329870426 BQAHQSCBDZDHNW-PBEJRMEISA-N 358.457 3.848 30 50 FHEA CN(C)c1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 238937456 VNUOLMATLPCKQO-UHFFFAOYSA-N 356.901 3.558 30 50 FHEA N#Cc1ccc2ccccc2c1CN(Cc1ccccc1)[C@@]1(CO)CCOC1 1875268630 ZQWNVAUAPFCEPI-XMMPIXPASA-N 372.468 3.865 30 50 FHEA Cc1ccc(Cl)cc1N(C)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 1875258693 AZXQKHNHHTYFHK-UHFFFAOYSA-N 368.868 3.795 30 50 FHEA C=C(C)COc1ccc(C(=O)NC2CCN(C3CCSCC3)CC2)cc1 63884132 GDAUNQHZMAYINR-UHFFFAOYSA-N 374.550 3.731 30 50 FHEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(Cc2csc3ccccc23)C1 328625053 KISGCYDFUOVGPM-GOSISDBHSA-N 356.451 3.670 30 50 FHEA N#CC1(c2ccccc2)CCN(C(=O)c2cccc(Cn3cccn3)c2)CC1 91306150 HRZGRUSBDWHCDI-UHFFFAOYSA-N 370.456 3.629 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S 253499673 LYALGFDSSRNLPA-ACFKVLMVSA-N 363.571 3.579 30 50 FHEA biogenic Cc1cc(-n2c(C)cc(/C=N/n3cnnc3)c2C)ccc1Br 1143758 GXPIJCVFJXYPMH-DNTJNYDQSA-N 358.243 3.639 30 50 FHEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OC)c2)c1 5408641 OXUDGLDDNKVSBP-XDHOZWIPSA-N 354.435 3.897 30 50 FHEA O=C(C[n+]1ccc(-c2ccccc2F)nc1)c1ccc(Br)cc1 5717637 DXEMDHMBGOKZLF-UHFFFAOYSA-N 372.217 3.821 30 50 FHEA O=C1OCCN(Cc2ccccc2)[C@@H]1C/C(O)=N/c1cccc(Cl)c1 12652927 NSHVXXAPIQADHQ-QGZVFWFLSA-N 358.825 3.746 30 50 FHEA O=C(/C=C/c1ccc(OC2CSC2)cc1)c1ccc2c(c1)OCCO2 4851645 ALRHPEDTBDPJNG-XVNBXDOJSA-N 354.427 3.848 30 50 FHEA CCn1c(C)cc(C(=O)CSc2nc(C)cc(COC)c2C#N)c1C 10231435 YLNVMKZDHQRFQN-UHFFFAOYSA-N 357.479 3.821 30 50 FHEA C=CCN(Cc1ccc(NC(C)=O)cc1)Cc1nc(-c2ccccc2)no1 55182921 UBPVYKXIBZKGSN-UHFFFAOYSA-N 362.433 3.883 30 50 FHEA Cc1cc(C)n(-c2ccccc2CN2CCN(c3ccccc3C#N)CC2)n1 1506395712 FDAHDWXQDKFDMX-UHFFFAOYSA-N 371.488 3.683 30 50 FHEA C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 19771848 GKDCYDHTHCBRLI-QNGOZBTKSA-N 372.856 3.790 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1 678002 VHCBIARSNIAYEU-MRXNPFEDSA-N 372.218 3.938 30 50 FHEA N#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 971317 COGSUOZDEZEDSZ-UHFFFAOYSA-N 366.380 3.935 30 50 FHEA CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccco1 4083028 LUDYOKCZETWCOX-BDTNDASRSA-N 367.445 3.987 30 50 FHEA C=C(C)CN1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)CC1 52683519 SQUKLCGQNKOEJX-UHFFFAOYSA-N 371.488 3.546 30 50 FHEA N#Cc1ccc(-c2ccc(C(=O)NCC3(CO)CCC3)cc2)cc1Cl 426635344 KGOZBTNJLLRRMV-UHFFFAOYSA-N 354.837 3.771 30 50 FHEA C=CCOC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1Cl 16115238 RWKLFLMUSNLPSB-QGOAFFKASA-N 371.820 3.849 30 50 FHEA C=CCN(Cc1ccccc1OCC)C(=O)c1ccccc1-c1ncn[nH]1 55252985 IHQHACPQACHKPO-UHFFFAOYSA-N 362.433 3.699 30 50 FHEA COc1cccc(Cl)c1C/N=C(/O)N1CC[C@@]2(C1)OCc1ccccc12 330049516 KWCVFWACQNZOSG-FQEVSTJZSA-N 372.852 3.894 30 50 FHEA O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914740 ACQSSVHQYWANGK-WMLDXEAASA-N 353.368 3.969 30 50 FHEA O/C(=N/CCc1nnnn1-c1ccccc1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329126847 YRWNOKTUSLOGPN-RYQLBKOJSA-N 353.470 3.768 30 50 FHEA CCN(CC)C(=O)N1CCC2(CCN(Cc3ccccc3C#N)CC2)CC1 72158727 COQWJWMCRXIZMJ-UHFFFAOYSA-N 368.525 3.698 30 50 FHEA Cc1ccc(CN2CCN(/N=C/c3cccc(Br)c3)CC2)cc1 20171858 IIEOAQAMKHLNTE-KGENOOAVSA-N 372.310 3.909 30 50 FHEA CN(C)CC[C@H]1CCCCN1C(=O)CC1=C(c2ccccc2)CCC1=O 72431729 OCLGEKBZKIDINZ-GOSISDBHSA-N 354.494 3.526 30 50 FHEA COc1ccc(-c2nc(C#N)c(NC[C@H]3CCCN4CCCC[C@@H]34)o2)cc1 1857799498 GUOQTOTZQQIKLM-APWZRJJASA-N 366.465 3.898 30 50 FHEA CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3C#N)n2C)cc1 2835619 LRSBTWXDZILMIR-UHFFFAOYSA-N 363.446 3.604 30 50 FHEA N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 4725373 JUYICZAWQPDQTD-UHFFFAOYSA-N 373.623 3.889 30 50 FHEA N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 329776945 OOCIQCRINPZEIG-OALUTQOASA-N 362.429 3.760 30 50 FHEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2)cc1 13124630 QACQTXVGMYXTPG-IERDGZPVSA-N 372.428 3.702 30 50 FHEA Oc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(F)cc1 2506395 OJTNDCHKRLQIFY-CAOOACKPSA-N 368.231 3.614 30 50 FHEA Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccccc2)no1 8914961 KJMIQYAJIUANBL-QGZVFWFLSA-N 364.357 3.667 30 50 FHEA C#CCCC1(CCNC(=O)C2(c3ccc(OC)cc3)CC3(CCC3)C2)N=N1 2325891624 REYDGECOUWZQFF-UHFFFAOYSA-N 365.477 3.979 30 50 FHEA COc1cc(-c2cc(-c3ccc(O)c(Cl)c3)c(C#N)c(N)n2)ccc1O 67740472 UOZSTURHRMJYGY-UHFFFAOYSA-N 367.792 3.943 30 50 FHEA Cc1nc(N)sc1-c1cc(-c2ccccc2OC(F)F)c(C#N)c(N)n1 71415746 DXWFSCYPJDKSMF-UHFFFAOYSA-N 373.388 3.818 30 50 FHEA CC(C)(C)c1cc(C(=O)NC2(C#N)CCOCC2)cc(C(C)(C)C)c1O 182453319 CGPBKFXWQKCGKV-UHFFFAOYSA-N 358.482 3.790 30 50 FHEA C=CCc1cccc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=O)oc12 4094417 XHSBZQPAROHIMK-UHFFFAOYSA-N 364.357 3.990 30 50 FHEA C=CCn1c([C@@H]2c3nc[nH]c3CCN2Cc2ccco2)nc2ccccc21 72427961 FOZMAZHKBFVFDE-FQEVSTJZSA-N 359.433 3.686 30 50 FHEA C=C(C)C(C)(C)C(=O)N1Cc2cnc(Cc3ccc(OC)cc3)nc2C1 67472669 LWSDBJIZVZAJDN-UHFFFAOYSA-N 351.450 3.521 30 50 FHEA Cc1c(C(=O)/C=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)cnn1C 6527528 ICKBIPFMZUBGDC-MDZDMXLPSA-N 367.361 3.705 30 50 FHEA COc1ccccc1N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 12378363 WSDAYBBGALWEBN-UHFFFAOYSA-N 366.442 3.943 30 50 FHEA Cc1c(-c2ccccc2)oc2c(C(=O)N3CC[C@@H](C#N)C3)cccc2c1=O 2325864961 HHSWAHALJHTJOZ-HNNXBMFYSA-N 358.397 3.754 30 50 FHEA CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1cc(F)cc(F)c1 1151099 XIPLQIPJPZXMNG-UHFFFAOYSA-N 361.731 3.847 30 50 FHEA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCC(c2cccc(C#N)c2)CC1 55165910 ZETWJVXDAABZCT-NRFANRHFSA-N 364.445 3.881 30 50 FHEA N#CC1(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 286548741 ZLBUQSOMLOBNRM-OAHLLOKOSA-N 366.383 3.732 30 50 FHEA C/C(=C\c1ccccc1)[C@H]1O[C@@]23CCCC[C@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 252694966 SLMBFNKRZZTIAJ-JTEPDGORSA-N 372.428 3.926 30 50 FHEA N#Cc1cccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 170622888 RVQBSUCFLYAAOG-UHFFFAOYSA-N 358.279 3.879 30 50 FHEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccn2)C2=C(CCCC2=O)N1 19535440 JLIBTXSUHRYWSJ-QFIPXVFZSA-N 374.440 3.793 30 50 FHEA N#Cc1ccccc1Nc1nc(-c2ccccc2)cc(N2CCOCC2)n1 242578631 CGVYXSAOQLERKZ-UHFFFAOYSA-N 357.417 3.595 30 50 FHEA Cc1nc(SCC(=O)NCCc2ccccc2)c(C#N)c(C)c1Cl 1079403 YODFAGVYPCOCKC-UHFFFAOYSA-N 359.882 3.675 30 50 FHEA N#CCCC[C@@H](NC(=O)C[C@H]1Cc2ccccc2NC1=O)c1ccccc1 2325780818 RGVWHDDCUAPOTP-RTBURBONSA-N 361.445 3.739 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 20010976 MPOBBWDVNJRYGR-SFHVURJKSA-N 357.475 3.940 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 5047911 MOMNOKLIMZXVOC-UHFFFAOYSA-N 361.485 3.904 30 50 FHEA C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccncc1 245253820 GPZDYTLXFCWDQP-UHFFFAOYSA-N 354.457 3.803 30 50 FHEA C=CCCC(=O)N(Cc1ccncc1)Cc1cccc(O[C@@H](C)COC)c1 11913275 OLBYKUNQIHKPJM-SFHVURJKSA-N 368.477 3.990 30 50 FHEA O=C(C#Cc1ccccc1)N1CCC(CO)(Cc2ccccc2Cl)CC1 15069172 ZXUSFILWTPMXLL-UHFFFAOYSA-N 367.876 3.535 30 50 FHEA CCCn1ccnc1C(F)(F)/C(O)=N/C[C@@H](C)Oc1ccccc1F 328594473 MOALPRMHLMAYTO-GFCCVEGCSA-N 355.360 3.948 30 50 FHEA N#Cc1cccc(Oc2ccc(NC(=O)c3sccc3CN)cn2)c1 2325858017 YFWQFVLNDPWDJZ-UHFFFAOYSA-N 350.403 3.518 30 50 FHEA Cc1cc([N+](=O)[O-])c(C#N)cc1N1CCC(Oc2ncccc2C)CC1 225811971 WQOJMGRYNAMMND-UHFFFAOYSA-N 352.394 3.526 30 50 FHEA CCC/C(Nc1ccc(OC)cc1)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100162990 DOVKOPOVJWJYHP-WBWKYDSYSA-N 373.449 3.519 30 50 FHEA Cn1nc(/C(O)=N/[C@@H]2c3ccccc3CC23CCOCC3)cc1C1CC1 329538424 CACJTFVSULNAEQ-LJQANCHMSA-N 351.450 3.696 30 50 FHEA CC(C)n1ncc2c1C[C@@H](/N=C(/O)c1cccc3c1OCC3(C)C)CC2 329892140 IUUDIXAMDNLPQS-HNNXBMFYSA-N 353.466 3.996 30 50 FHEA CCOc1ccccc1C=Nn1c(S)nnc1-c1ccc(OC)cc1 239121090 JHIGUZMADFUTLF-UHFFFAOYSA-N 354.435 3.523 30 50 FHEA C[C@H]1CCCN(CN2C(=O)/C(=N/Nc3ccccc3F)c3ccccc32)C1 36137569 QSCGUFNKDBSTRB-HNZYNWIWSA-N 366.440 3.678 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)N=N1 2325886154 ZUPXOSLHCAENAP-MRXNPFEDSA-N 363.465 3.584 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccs1 8973533 NVHALUAPJQSMDJ-MRXNPFEDSA-N 351.427 3.880 30 50 FHEA O/C(=N/Cc1cccc(-c2nc[nH]n2)c1)[C@@H]1C[C@]12CCOc1ccccc12 328605949 PWBBYIIKLCPIKJ-UWJYYQICSA-N 360.417 3.669 30 50 FHEA COc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 1221308 YBAANJOXEOVNBW-HZHRSRAPSA-N 355.397 3.954 30 50 FHEA Cc1ccccc1-c1cc[n+](CC(=O)c2ccc(Br)cc2)cn1 5712068 JXVCNZJEKIEGEY-UHFFFAOYSA-N 368.254 3.990 30 50 FHEA COc1ccccc1/C=N/Nc1nc2ccccc2c(=O)n1-c1ccccc1 4611086 VNFXBXNRJFIAGH-HZHRSRAPSA-N 370.412 3.840 30 50 FHEA Cc1cscc1N/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328621495 HTHDODAWEOPDGZ-SNVBAGLBSA-N 358.389 3.860 30 50 FHEA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1cccc(C#N)c1)CC2 95366515 DPLVEVYHFFKHKB-OAQYLSRUSA-N 359.473 3.539 30 50 FHEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 5408642 KPWFIMZKEHPGRH-WOJGMQOQSA-N 369.406 3.797 30 50 FHEA C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1cc2ccccc2o1 8881457 DJDOZNKKYRJOTM-UHFFFAOYSA-N 368.462 3.592 30 50 FHEA CCOc1ccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 5046907 UKAVBGKRXWCUDY-MDZDMXLPSA-N 372.377 3.819 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 19314471 KBXZHDKWLJGXJY-GOSISDBHSA-N 357.425 3.993 30 50 FHEA NC(=S)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 6536407 PKQROUJREMSROA-SSDVNMTOSA-N 353.422 3.725 30 50 FHEA COc1ccccc1N1CCN(/N=C/c2ccc(Br)cc2)CC1 946046 MZAXUFIVNZTRGL-XSFVSMFZSA-N 374.282 3.614 30 50 FHEA O/C(=N/[C@@H]1CCCc2occc21)[C@@H](c1cccc(F)c1)N1CCOCC1 329630046 VGVPXMZSHBWJAI-IEBWSBKVSA-N 358.413 3.826 30 50 FHEA CC#CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1Cl 1875378533 FQZPAZMTJFMQHP-CYBMUJFWSA-N 371.264 3.699 30 50 FHEA C=CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 4865855 FXOAHHIEFPZPCL-UHFFFAOYSA-N 356.853 3.867 30 50 FHEA N#Cc1nc(-c2ccccc2F)oc1N1CCN(Cc2ccccc2)CC1 54061443 MGKJARAMTCPJNW-UHFFFAOYSA-N 362.408 3.675 30 50 FHEA COC(=O)c1sccc1-c1ccc(/C=N/OC(=O)c2ccccc2)o1 4001883 IPXWQOWACMOFLH-YBFXNURJSA-N 355.371 3.986 30 50 FHEA C=CCN(C)C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1 67650176 PALIIFJTVMYBCD-UHFFFAOYSA-N 352.390 3.673 30 50 FHEA O/C(=N/CCOC1CCCCC1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 329246933 RLGMSSBGFQTTNM-HKBOAZHASA-N 372.509 3.754 30 50 FHEA COc1cc2c(cc1OC)[C@H](C#N)N(C)[C@H](Cc1c[nH]c3ccccc13)C2 71769232 LIFURDFPQZSGJI-JXFKEZNVSA-N 361.445 3.849 30 50 FHEA N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCc4[nH]ncc4C3)cc2)cc1 163106755 UELLQFQNHUZCGH-KRWDZBQOSA-N 373.416 3.753 30 50 FHEA COc1cccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)c1OC 6055706 UNLNKEPMLPXRFR-YBFXNURJSA-N 354.435 3.816 30 50 FHEA C=CCC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12373693 JUJORZRXSOKAPB-GOSISDBHSA-N 362.473 3.898 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)N=N1 2325892510 PRFYXMORDYDOFF-UHFFFAOYSA-N 374.444 3.911 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C/c2ccc(Br)cc2)c([N+](=O)[O-])c1 4775458 SFVBWARTAYZWKI-OVCLIPMQSA-N 365.143 3.712 30 50 FHEA CN(C)Cc1csc(-c2cc(-c3cccc(O)c3)c(C#N)c(N)n2)c1 71405610 NRTLLDAEJVMREW-UHFFFAOYSA-N 350.447 3.698 30 50 FHEA CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ccc(C#N)nc2)cc1 426526871 MSEDQIJANLLXGX-UHFFFAOYSA-N 373.460 3.652 30 50 FHEA COc1ccccc1NC(=O)CCN1CCC(C#N)(c2ccccc2)CC1 244882772 XYUAXMKTKCAGDF-UHFFFAOYSA-N 363.461 3.581 30 50 FHEA COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(CC(=O)O)cc3)C2)cc1 18122584 MXBLUDAOWUPHQF-INIZCTEOSA-N 351.402 3.765 30 50 FHEA N#Cc1c(NCC2(c3ccc(Br)cc3)CCC2)cc[nH]c1=N 2325862015 GDSZUECHEOMJFJ-UHFFFAOYSA-N 357.255 3.662 30 50 FHEA CCOc1cc(CO)c(Br)cc1OCc1ccccc1C#N 1139554 RHCSGSCZEGCWIK-UHFFFAOYSA-N 362.223 3.791 30 50 FHEA CCOc1ccccc1/C=N/n1c(-c2ccc(OC)cc2)n[nH]c1=S 1473641 JHIGUZMADFUTLF-XDHOZWIPSA-N 354.435 3.897 30 50 FHEA C=CCSC1=N/C(=C\c2c(OC)cc(OC)cc2OC)C(=O)S1 3001046 KKWGJWVOSVVBOL-XFXZXTDPSA-N 351.449 3.602 30 50 FHEA CC(C)=CC[C@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 16954712 BATBOVZTQBLKIL-KRWDZBQOSA-N 370.401 3.638 30 50 FHEA biogenic,in-vitro C=CCN(Cc1ccc(F)cc1)C(=O)[C@@H](CC)N1Cc2ccccc2C1=O 55325151 WJZIRTFEXJFHAL-HXUWFJFHSA-N 366.436 3.775 30 50 FHEA c1ccc([C@@H]2O[C@]23CCC[C@]2(O[C@@H]2c2ccccc2)C32OCCO2)cc1 101093015 PWNONDAOOROMHQ-PLACYPQZSA-N 350.414 3.934 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H]2c3ccccc3CC[C@@H]2N2CCCC2)N=N1 2325886390 VFLIXMWTABSBBI-PZJWPPBQSA-N 364.493 3.610 30 50 FHEA COc1ccc(C(=N)NOC(=O)c2ccc3ccccc3c2)cc1OC 4725334 MIZZLGQSTBZXKN-UHFFFAOYSA-N 350.374 3.544 30 50 FHEA COCCn1cc2c(n1)[C@@H](N/C(O)=N/CC1(C)CCCCCC1)CCC2 329812451 DDPXORIZKDSXIH-KRWDZBQOSA-N 362.518 3.771 30 50 FHEA COc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1OC 244594118 DGRXTLONKAMYOY-UHFFFAOYSA-N 373.884 3.509 30 50 FHEA COc1ccc(-c2csc(-n3nc(C)c(C(=O)/C=C(/C)O)c3O)n2)cc1 100334472 GNWPNKVKTDADOZ-NTMALXAHSA-N 371.418 3.663 30 50 FHEA OC(=Nc1ccccn1)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 328607500 WCNDGQJOFHWUAR-KBXCAEBGSA-N 352.369 3.772 30 50 FHEA C[C@H](C(O)=N/C(O)=N/C1CCCCC1)N1CCC(Cc2cccnc2)CC1 329161161 YTYFQGQDZLJDDC-MRXNPFEDSA-N 372.513 3.928 30 50 FHEA COc1cccc(C2=CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 332069773 UVOQOLINSMWDMG-QGZVFWFLSA-N 367.493 3.515 30 50 FHEA CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 2014578 BATBOVZTQBLKIL-QGZVFWFLSA-N 370.401 3.638 30 50 FHEA biogenic,in-vitro CCOc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)ccc1O 252429369 HSZJUIKSZCWQCN-UHFFFAOYSA-N 374.853 3.874 30 50 FHEA O=C(O)c1ccccc1/C=N/n1c(-c2ccccc2Cl)n[nH]c1=S 6059542 ZWXHTQQYQOOBAS-GIJQJNRQSA-N 358.810 3.841 30 50 FHEA COc1ccccc1/C=N/n1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S 1475998 UXFCGFSKGMRBFJ-YBFXNURJSA-N 370.434 3.516 30 50 FHEA CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccn1 19638531 UGTZYXZUNXEWER-HXUWFJFHSA-N 354.450 3.783 30 50 FHEA N#C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2F)C1)c1ccc(Cl)cc1 464403683 KWRJUHHKYYPCEJ-RHSMWYFYSA-N 357.816 3.686 30 50 FHEA CCCCCCCN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 2941580 WDDQLPGEGVIXLR-OAHLLOKOSA-N 367.287 3.641 30 50 FHEA C=C(C)COc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 13533656 PGEFFIWOUWPDHE-UHFFFAOYSA-N 363.417 3.930 30 50 FHEA C=CCN(Cc1cccc(OC)c1)C(=O)c1cccc(-c2noc(C)n2)c1 55284802 LMWRFQDZUNNQQE-UHFFFAOYSA-N 363.417 3.882 30 50 FHEA C[Si](C)(C)CCOCn1cc(Br)c2cc(C#N)cnc21 250842901 DVBYYIKHTKWJQJ-UHFFFAOYSA-N 352.308 3.983 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 861750 LCNHMTWIHYLEKA-UYAOXDASSA-N 365.385 3.914 30 50 FHEA aggregator COc1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)c(OC)c1 1250981 HUZDZJXPTBTLCO-YBFXNURJSA-N 354.435 3.816 30 50 FHEA N/C(=N\OC(=O)c1ccccc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 5013705 VDACZIJOWYPAGF-UHFFFAOYSA-N 361.357 3.739 30 50 FHEA C=C(C)COc1ccc(NC(=O)N(C)C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 299767882 XLCAWAOAMUOBCM-MRXNPFEDSA-N 373.497 3.752 30 50 FHEA CC(=O)N1CCCN(c2ccc(F)cc2N=C(O)[C@@H]2C[C@@H]2C2CC2)CC1 329883311 QWZNJQVGPBBAHS-IAGOWNOFSA-N 359.445 3.518 30 50 FHEA COc1cc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)ccc1O 4753964 VFNUTEMVQGLDAG-ZVBGSRNCSA-N 354.435 3.730 30 50 FHEA CN(C)C(=O)O[C@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 33815023 TYYVMWTWMVOKBB-TZIWHRDSSA-N 351.402 3.749 30 50 FHEA N#CC1(C#N)[C@H](c2ccco2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 239310102 IBMRZRRRACSWAL-VAMGGRTRSA-N 355.397 3.660 30 50 FHEA N#CC1(C#N)[C@H](C2CCCCC2)O[C@H]2OC(=N)[C@@]1(C#N)C21CCCCC1 253471139 MJIDBELHJKTELC-KNBMTAEXSA-N 352.438 3.793 30 50 FHEA Clc1ccc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)cc1 2978209 DBAZTNQWWZOSNJ-FOKLQQMPSA-N 365.824 3.847 30 50 FHEA C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 4137555 MEXBKIYCXWUGLD-HNNXBMFYSA-N 369.446 3.514 30 50 FHEA C=C(Br)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@H](C)CCCC)C2 2325868429 ZFDPEEYNBGLIKC-KCXAZCMYSA-N 357.336 3.833 30 50 FHEA CC(C)C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 860682 BKLHJVMXWGMLIG-UHFFFAOYSA-N 360.435 3.630 30 50 FHEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 6420917 CJTSOEGNQYXLKQ-OAQYLSRUSA-N 373.456 3.997 30 50 FHEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCCC(C)C)C2 14746003 HUQPBLZWDDGPHL-SFHVURJKSA-N 372.557 3.578 30 50 FHEA CCCCCCCc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 59617071 JRDWRMYBXSWHCN-UHFFFAOYSA-N 366.509 3.952 30 50 FHEA CC(=O)Nc1cccc(-n2ccnc2-c2ccc(C#CC(C)(C)O)s2)c1 72151159 OPMBVSKORSZJGP-UHFFFAOYSA-N 365.458 3.682 30 50 FHEA Cc1ccc([C@@]23C[C@H]2CN(c2ncc(Br)cc2C#N)C3)cc1 2325867860 HNRMUMVFPHXTDU-YJBOKZPZSA-N 354.251 3.802 30 50 FHEA COc1cc(C#N)c(NC(=S)NCc2cccc(Cl)c2)cc1OC 1394214 GIKILGHQNHXUCO-UHFFFAOYSA-N 361.854 3.715 30 50 FHEA C=CCOc1ccccc1CN1CCC[C@@H](CCC(=O)N2CCCC2)C1 12387011 NZOXXNFIJSQYHB-IBGZPJMESA-N 356.510 3.866 30 50 FHEA C=CCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OC 14396554 PQBISGAXSJMICU-UHFFFAOYSA-N 354.425 3.525 30 50 FHEA CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 20617825 DXGZYZDWUUISQU-GOSISDBHSA-N 351.402 3.684 30 50 FHEA COc1nc(C)c(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)c(C)c1C#N 534631164 QZRDOYQHQSPRQX-INIZCTEOSA-N 374.444 3.622 30 50 FHEA N#Cc1cc(F)c(O)c(-n2cnc(-c3ccc(OC(F)(F)F)cc3)n2)c1 1875320391 BHVXEWOWLWZBGY-UHFFFAOYSA-N 364.258 3.549 30 50 FHEA N#Cc1cccc(CN2CCC(C(=O)N3CCCc4ccccc43)CC2)c1 1875387287 ZSGMRNJKIKCJPL-UHFFFAOYSA-N 359.473 3.750 30 50 FHEA COC(=O)NCc1cc(/C(C)=N/OCc2cccc(C)n2)ccc1Cl 35851429 CRFYLQMIDWBKRT-LPYMAVHISA-N 361.829 3.840 30 50 FHEA in-vitro CN1CCC2(CC1)CCN(C(=O)c1ccc(-c3ccc(C#N)cc3)cc1)C2 426423764 RXCHQPNMTXGKAG-UHFFFAOYSA-N 359.473 3.783 30 50 FHEA C#CCCC1(CCC(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)N=N1 2325901002 QCEVSIPWIIZRDJ-UHFFFAOYSA-N 367.449 3.522 30 50 FHEA O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1ccc(Br)cc1 17178117 VZJMHUKHRBRCNH-CQSZACIVSA-N 361.264 3.911 30 50 FHEA C=CC[C@H]1N(C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CCCC1(C)C 225512147 KDICHCQSNUMJJM-VQTJNVASSA-N 372.509 3.856 30 50 FHEA C#CCCC1(CCC(=O)Nc2cc([C@@H](O)c3ccccn3)ccc2C)N=N1 2325892499 PBRABTCVSQBCKA-HXUWFJFHSA-N 362.433 3.766 30 50 FHEA N#Cc1ccccc1NC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 8705755 IMPUHLKWZSDSJA-UHFFFAOYSA-N 356.813 3.692 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C/c2ccc3c(c2)OCO3)c(C(F)(F)F)c1 5945461 ZKENOQWZQXXVEB-FBCYGCLPSA-N 353.256 3.788 30 50 FHEA Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(c2ccccc2)CC1 946024 ITEMLMXMYOMKQF-HAVVHWLPSA-N 359.477 3.645 30 50 FHEA O=C(C[n+]1ccc(-c2cccc3ccccc23)nc1)c1cccc([N+](=O)[O-])c1 6342589 DYRNFCVWJDECMK-UHFFFAOYSA-N 370.388 3.980 30 50 FHEA N#Cc1cccc([C@@H](NC(=O)Cc2csc(C3CC3)n2)C(F)(F)F)c1 831113600 WTKBTFODWRKKAH-OAHLLOKOSA-N 365.380 3.854 30 50 FHEA Fc1ccc(/C=C/C=N/n2c(S)nnc2[C@@H]2CCCCO2)cc1F 2325806940 PMWPLSFOYGBUFF-OJLZBNBXSA-N 350.394 3.634 30 50 FHEA COc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)cc2Cl)cc1 4812567 BEUHMJKGWBHUJK-UHFFFAOYSA-N 353.205 3.674 30 50 FHEA O=C1CS/C(=N/N=C\c2cccc(Br)c2)N1c1ccccc1 5061354 FRFVEERXPDYMDB-OVNKMMOWSA-N 374.263 3.919 30 50 FHEA C=CCn1c(-c2ccccc2Cl)nn([C@@H]2CC[C@H]3OC[C@H]2O3)c1=S 103002380 NSQTYYBKUNIREJ-KFWWJZLASA-N 363.870 3.997 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(OC)cc1OC 170618284 VPFMWHCANMIGOM-JXFKEZNVSA-N 370.401 3.616 30 50 FHEA Cc1c(C#N)c(N2CCCN(Cc3ccccn3)CC2)nc2ccccc12 1857679903 ZXAZDHZIXPXFJX-UHFFFAOYSA-N 357.461 3.522 30 50 FHEA COc1ccc([C@@H]2C[C@@H]2c2nc(C#N)c(NCCCn3ccnc3)o2)cc1 1857798884 FDEONPUTGBGWAY-IRXDYDNUSA-N 363.421 3.525 30 50 FHEA COc1ccc(-c2cc(-c3ccsc3)c(C#N)c(N)n2)c(OC)c1OC 67642888 GCRFWMFXSFASQV-UHFFFAOYSA-N 367.430 3.957 30 50 FHEA Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 100015889 SVBOYWVVBMKJDS-GASCZTMLSA-N 369.483 3.536 30 50 FHEA N#Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 101105408 UGGJJIHJCXHAPQ-IQGAEYHTSA-N 356.381 3.662 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 952960971 REALWYLQIJNXAA-MOPGFXCFSA-N 374.550 4.000 30 50 FHEA CCCOc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccccc3)o2)cc1 1857799593 MWXBYWWWTBWSOY-UHFFFAOYSA-N 368.414 3.835 30 50 FHEA Cc1c(CCC(=O)Nc2ccccc2)c(=O)n2c([nH]c3ccccc32)c1C#N 9418727 STSMXECHPQIAEG-UHFFFAOYSA-N 370.412 3.532 30 50 FHEA Cn1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1C(F)(F)F 2781129 NOKVODFLJANJPV-UHFFFAOYSA-N 354.357 3.503 30 50 FHEA COc1cccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)c1OC 239135314 LAXLCTCMHRQYLM-UHFFFAOYSA-N 359.857 3.513 30 50 FHEA COc1cc(/C=C2\N=C(SC)SC2=O)cc(Cl)c1OC(C)=O 1169068 LBBKUBCNOZTEBA-YHYXMXQVSA-N 357.840 3.607 30 50 FHEA C=C(C)CN(C)C(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O 12314657 QSRDRKSBQCRLGZ-UHFFFAOYSA-N 364.489 3.941 30 50 FHEA COc1cccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c1O 4811881 KGSPMASMABTSNR-YDZHTSKRSA-N 371.400 3.852 30 50 FHEA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc2c(c1)OCO2 4952978 ZCRWQHVZMPEJJN-FBCYGCLPSA-N 353.256 3.788 30 50 FHEA CC(C)Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2CC2)n1 67602208 KWQGUQHKFIMKIH-UHFFFAOYSA-N 357.401 3.541 30 50 FHEA COc1ccc(NC(=O)N2CCC(C#N)(c3ccccc3)CC2)c(F)c1 96150774 ZYQOCQQQQAZPQE-UHFFFAOYSA-N 353.397 3.924 30 50 FHEA N#CC1(CS(=O)(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)CCCC1 333870473 BQFHUGDBLRJDMO-GOSISDBHSA-N 358.507 3.670 30 50 FHEA N#Cc1ccc(CNc2cccc(-c3nc[nH]n3)c2)c(Br)c1 1875290130 YQHIAVSQXPCILP-UHFFFAOYSA-N 354.211 3.718 30 50 FHEA Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2cc(O)cc(C#N)c2)c1C 225413966 ZFASODBDSNNEMK-UHFFFAOYSA-N 374.444 3.647 30 50 FHEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cc(CC(C)C)no1 91915120 KGDAQWPPGSQZJI-UHFFFAOYSA-N 350.422 3.507 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(OC)cc1OC 170618286 VPFMWHCANMIGOM-UZLBHIALSA-N 370.401 3.616 30 50 FHEA CCOc1ccc(/C=N/n2c(-c3cccc(OC)c3)n[nH]c2=S)cc1 5900127 YXCXNXOFGGWYNK-XDHOZWIPSA-N 354.435 3.897 30 50 FHEA C=CCCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 12468521 DCDFSMUKWQTWBE-UHFFFAOYSA-N 366.465 3.574 30 50 FHEA C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)s2)cc(-n2cnnn2)c1 14999463 AGJGJFPLLYGMOF-UHFFFAOYSA-N 365.462 3.513 30 50 FHEA Cc1nn(C)c2ncc(C(O)=Nc3cc(Cl)c(Cl)cc3O)cc12 328591430 PXHKAYCYASONGT-UHFFFAOYSA-N 351.193 3.925 30 50 FHEA Cc1ccc(OCCN(C)C(=O)c2cccc(C#CC(C)(C)O)c2)c(C)c1 55098880 CAGODNYCADSNBC-UHFFFAOYSA-N 365.473 3.577 30 50 FHEA Cc1cn2cc(N=C(O)c3sc([C@@H]4CCCOC4)nc3C)ccc2n1 328781738 FWGQEUVNKKFPAT-CYBMUJFWSA-N 356.451 3.938 30 50 FHEA O=S(=O)(/N=C(/NCc1ccccc1)c1ccccc1F)c1ccccc1 13153356 ISNVDHJPZNBGBO-UHFFFAOYSA-N 368.433 3.751 30 50 FHEA CCOc1ccc(C[C@H]2S/C(=N/N=C(\C)c3ccccc3)NC2=O)cc1 5124049 BIROAIKAPQNZLA-SDLXJUDFSA-N 367.474 3.640 30 50 FHEA N#Cc1ccccc1-c1ccc(-c2nccn2C[C@@H]2CC(=O)N(C3CC3)C2)o1 1857679675 PZKZLZMJMZUEJP-HNNXBMFYSA-N 372.428 3.693 30 50 FHEA N#Cc1ccccc1Oc1ccccc1C(=O)N1CCCC[C@@H](CO)C1 378488516 NWYKNRGXBSWSHM-MRXNPFEDSA-N 350.418 3.585 30 50 FHEA Cc1cc(C)c(C#N)c(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 95520053 ZIRDDRLQNUMUJS-IBGZPJMESA-N 372.476 3.594 30 50 FHEA O=C(C[n+]1cc(Br)cc(Br)c1)c1ccc(F)cc1 1595137 LXUPLORZGLATKQ-UHFFFAOYSA-N 374.027 3.521 30 50 FHEA Cc1cccc(N2CCN(/C(S)=N/CCc3ccccc3)CC2)c1C 8686564 VNRABSXVHSGEEJ-UHFFFAOYSA-N 353.535 3.954 30 50 FHEA COc1ccccc1CN(C(=O)c1cccc(C#CC(C)(C)O)c1)C1CC1 65461966 DUJVKDDGIZQWSB-UHFFFAOYSA-N 363.457 3.622 30 50 FHEA C#CCCC1(CCC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)N=N1 952882251 SUTHQUULAWDYTR-ICSRJNTNSA-N 353.466 3.968 30 50 FHEA C#CCCC1(CCNC(=O)c2c(-c3cccc(Cl)c3)noc2C)N=N1 1875381345 RJWJIRJUVUZRSH-UHFFFAOYSA-N 356.813 3.999 30 50 FHEA C=CCN(Cc1ccccc1OC)C(=O)[C@H](C)Oc1ccc(F)cc1F 952873922 QUCHYTUAYARICO-AWEZNQCLSA-N 361.388 3.956 30 50 FHEA C=CCOc1ccccc1CN(CC)C(=O)C12CC3C[C@@H](C1)C(=O)[C@@H](C3)C2 101319259 AGZZXUCMQFHTNJ-SYTLLRCSSA-N 367.489 3.995 30 50 FHEA N#Cc1ccc(O)c(-c2cccc(C(=O)N(CCO)C3CCCCC3)c2)c1 534634875 GWUPADUIJLLKAZ-UHFFFAOYSA-N 364.445 3.698 30 50 FHEA C/C(=N\OC[C@@H]1CCOC1)c1ccc(Oc2ccc(C(=O)O)cc2)cc1 1875261592 LRWKOAOZHNPGRP-HFITWMCCSA-N 355.390 3.954 30 50 FHEA Cc1cc2cc(C(=O)N3CCCN(Cc4ccccc4C#N)CC3)ccc2o1 1529147017 SURJFRJBOTYUBG-UHFFFAOYSA-N 373.456 3.961 30 50 FHEA CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]n1 159865433 RRZBCQDBSZAUNO-JTQLQIEISA-N 352.847 3.639 30 50 FHEA O=C(O)CCC(=O)Nc1ccccc1C#Cc1ccc(Br)cc1 705364 GPTPRSLECCEYTN-UHFFFAOYSA-N 372.218 3.652 30 50 FHEA biogenic NC1CC(C#CC(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)C1 2325800688 BKTLNOAUDQOAKV-VRGJXPMKSA-N 370.905 3.616 30 50 FHEA CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(=S)[nH]nc3c2CO1 1111304 ZQRPEWZIXAZDRJ-UHFFFAOYSA-N 351.435 3.858 30 50 FHEA COc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccc(F)cc1 1185646 NWMPUWWHISWGDA-GZIVZEMBSA-N 360.776 3.540 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 20010972 MPOBBWDVNJRYGR-GOSISDBHSA-N 357.475 3.940 30 50 FHEA CN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCCC[C@@H]21 169766090 LCMYGPDNUNYQGC-HXUWFJFHSA-N 374.444 3.603 30 50 FHEA N#CCOc1ccc(COC(=O)c2ccc(Cl)c(Cl)c2O)cc1 733490934 XYFOMWBILMTLDX-UHFFFAOYSA-N 352.173 3.958 30 50 FHEA COc1cccc(CCC(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)c1F 367852052 YKKRUMRQWBYHNL-MSOLQXFVSA-N 352.409 3.533 30 50 FHEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@H]1COC2(CCCCC2)C1 426424398 SIVSTZRQMQBELM-QGZVFWFLSA-N 353.462 3.801 30 50 FHEA CCCSc1nnc(NN=C(C)c2ccc(Br)cc2)[nH]1 253476493 VQDXKRJXRNOIKC-UHFFFAOYSA-N 354.277 3.905 30 50 FHEA CCc1cc(C#N)ccc1NC(=O)N=c1ccn(Cc2ccccc2C)[nH]1 1875340238 REXSXVDDBJPSPG-UHFFFAOYSA-N 359.433 3.740 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccncc1 623091 AQRYZKOHCPQDMP-UHFFFAOYSA-N 365.462 3.565 30 50 FHEA Cc1ncc(/C(O)=N/[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C)n1 329413305 DSKMAEVJWAWXAR-MOPGFXCFSA-N 374.435 3.900 30 50 FHEA COc1c2c(cc3c1[C@@H](CC(=NO)c1ccc(C)cc1)N(C)CC3)OCO2 252679463 MVDDOMAAIMLAQN-QGZVFWFLSA-N 368.433 3.530 30 50 FHEA biogenic N#Cc1ccc(Cl)cc1N1CCC[C@H](c2nnc3n2CCCCC3)C1 301163098 CRHWQJNQUZIEBT-HNNXBMFYSA-N 355.873 3.914 30 50 FHEA Cc1ccc(C(=O)O/N=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1 1211475 ATPXUJLCJRGTIH-QOCHGBHMSA-N 361.357 3.908 30 50 FHEA O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 5768443 CZUMGPOGNWYRHG-RQZCQDPDSA-N 359.798 3.678 30 50 FHEA N#CCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c(O)c2ccccc21 170624750 UCTQHDLERVGYDN-UHFFFAOYSA-N 367.792 3.526 30 50 FHEA N#Cc1c(F)c(F)c(C2=C(O)OC3(CCCCC3)OC2=O)c(F)c1F 328578958 BUEDXMQYJABNJS-UHFFFAOYSA-N 357.259 3.575 30 50 FHEA CCc1noc([C@@H]2CCCN2C(=O)CC2=C(c3ccccc3)CCC2=O)n1 426566870 KADGEBAXYFIQLA-KRWDZBQOSA-N 365.433 3.502 30 50 FHEA C#CCCC1(CCNC(=O)c2cccc(NCc3nc(C)cs3)c2)N=N1 2325891607 QEUKPDCWDKOHBO-UHFFFAOYSA-N 367.478 3.759 30 50 FHEA Cc1ccc(/N=C2\N=C(O)C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)N2)cc1 1287955 LUYKLQWCOUEJHG-OAHLLOKOSA-N 374.803 3.732 30 50 FHEA O=C(/C=C/c1ccco1)C[C@@]1(O)C(O)=Nc2ccc(Br)cc21 1255516 ZUEDAGBPQYPQOZ-APHBUQMISA-N 362.179 3.504 30 50 FHEA C#CCN1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 19938890 FMBOLQBTMMCXSH-AWNIVKPZSA-N 361.220 3.600 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1SC)CC2 92046613 QEHRPHVGEUGAEE-UHFFFAOYSA-N 373.522 3.831 30 50 FHEA N#Cc1ccc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1Cl 183955127 XHDSOUUWVIMAAQ-LJQANCHMSA-N 353.809 3.875 30 50 FHEA C=CCN(Cc1ccccc1OC)C(=O)[C@@H](C)Oc1ccc(F)cc1F 952873923 QUCHYTUAYARICO-CQSZACIVSA-N 361.388 3.956 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccccc2NC(=O)N2CCCC2)N=N1 1875382139 SBZBNQUYMMSRLH-UHFFFAOYSA-N 353.426 3.609 30 50 FHEA Cc1cc(C)c(C#N)c(SCCS(=O)(=O)c2ccc(Cl)cc2)n1 803909 AJFWPKUMBLFVNG-UHFFFAOYSA-N 366.895 3.790 30 50 FHEA COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)cc1 851168 GMFYLSKMMWFGIO-UHFFFAOYSA-N 367.474 3.962 30 50 FHEA O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1 5763321 QMWWNZPKPBLVOL-RQZCQDPDSA-N 359.798 3.678 30 50 FHEA Sc1nnc(-c2ccccn2)n1/N=C/c1cccc(Cl)c1Cl 6062871 QIXWTTGXULLMAQ-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA CC(C)Cc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 17075375 GDYWXNSDXGSJCV-ODLFYWEKSA-N 366.870 3.557 30 50 FHEA COc1ccc(OC)c(C=NN2CCN(Cc3ccccc3Cl)CC2)c1 238882054 CDRUTTYUDIMIMX-UHFFFAOYSA-N 373.884 3.509 30 50 FHEA CC(C)c1noc([C@@H](C)NC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)n1 426490565 LHOCYYDCAGZHJS-CYBMUJFWSA-N 361.405 3.618 30 50 FHEA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1ccccc1C#N)CC2 426550069 QTYOUSCDVCWUHK-JAXLGGSGSA-N 363.461 3.544 30 50 FHEA C=C(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(=C)C)c(O)c2)cc1O 3212574 OJPMOWAMFHBBOQ-UHFFFAOYSA-N 366.417 3.718 30 50 FHEA Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C(\N)c1ccccc1 4821417 FOAQREHMCKCECH-UHFFFAOYSA-N 355.781 3.781 30 50 FHEA CC1(C)OB(C2CCN(C(=O)c3cncc4ccccc34)CC2)OC1(C)C 864235213 MCAKGYWIFMWHBS-UHFFFAOYSA-N 366.270 3.933 30 50 FHEA CCOc1cc(/C=N/N2CCOCC2)ccc1OCc1ccc(Cl)cc1 1175731 IQVNWIGBRNFLCL-HYARGMPZSA-N 374.868 3.984 30 50 FHEA C=CCSc1nnc(NC(=O)c2nc(SCC)ncc2Cl)s1 2890907 YHXDDMUMJBSSBV-UHFFFAOYSA-N 373.916 3.624 30 50 FHEA C=CCCC(=O)N(CC)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 12580377 YWSOQDSLDSDBBK-HXUWFJFHSA-N 358.526 3.764 30 50 FHEA CCOc1cccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)c1O 238950517 YMCJITJIFZEYKQ-UHFFFAOYSA-N 359.857 3.600 30 50 FHEA CC1(C)CN(c2ccnc(C#N)n2)[C@H]1c1nccn1-c1cccc(Cl)c1 952891889 ACBNUESDQKAVQI-KRWDZBQOSA-N 364.840 3.775 30 50 FHEA COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 4520694 GWDTVFISSNNIPW-GXTWGEPZSA-N 353.443 3.761 30 50 FHEA CC(C)n1cnnc1C/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328603557 GNBSDMFRKZPEDO-WIYYLYMNSA-N 367.497 3.618 30 50 FHEA O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])n1 1056204 WQFXMBBDKDFVAK-RHSMWYFYSA-N 366.402 3.629 30 50 FHEA CCc1ccc2[nH]c3nc(N/N=C/c4ccc(N(C)C)cc4)nnc3c2c1 5031304 OLGIMKCETGPODF-CIAFOILYSA-N 359.437 3.581 30 50 FHEA COc1ccc(Br)cc1/C=N\N1CCN(c2ccccc2)CC1 15685148 JZTOUHZXNILKLB-ZHZULCJRSA-N 374.282 3.614 30 50 FHEA OC[C@H](CN1CCCC1)/N=C(/O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 328591759 FZMCGEICFLFJND-AEGPPILISA-N 357.281 3.510 30 50 FHEA Cc1ccc(N=C(O)CN2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)cc1F 328712506 RTAWIWFOKMZZAN-IAGOWNOFSA-N 354.429 3.776 30 50 FHEA CO[C@]1(C)CCCN(/C(O)=N/Cc2cc(Cl)cc3c2OCC3)CC1 329992649 KPFNRPJGUDFMCN-GOSISDBHSA-N 352.862 3.580 30 50 FHEA N/C(=N\OC(=O)c1cccc(Cl)c1)c1ccc(Br)cc1 4910020 OPOCLLDRZNJTOJ-UHFFFAOYSA-N 353.603 3.580 30 50 FHEA Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@H]3[C@@H](O)CCC[C@]23C)cc1 22061427 CZKSQENRQZPNOS-LFZDHENXSA-N 366.523 3.914 30 50 FHEA in-vitro N#Cc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccco1)CC2 72124160 GQKNALFINZRGGF-UHFFFAOYSA-N 363.461 3.670 30 50 FHEA C#CCCC1(CCC(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)N=N1 952879171 ASZIGGZOAMZWAT-HNNXBMFYSA-N 363.820 3.735 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)N=N1 952879761 HDEJURHIMLISFT-UYAOXDASSA-N 361.449 3.584 30 50 FHEA Sc1nnc(-c2cccnc2)n1/N=C/c1ccc(Cl)cc1Cl 1297837 NGZQDPYEFJJQPX-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 828681 LVLYQLNWJXREHW-UHFFFAOYSA-N 358.492 3.636 30 50 FHEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(O)c2)c1 2422252 DHXGLBHGNIWKPY-VXLYETTFSA-N 370.434 3.688 30 50 FHEA O=C(/C=C/c1cc(Br)cc2c1OCOC2)c1ccccc1O 4023915 UACZZKPQYCPEBV-AATRIKPKSA-N 361.191 3.917 30 50 FHEA biogenic Cc1ccc(CC/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)c(C)c1 328628238 HATVWWVLTODCNB-UHFFFAOYSA-N 358.482 3.520 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc3nc(-c4cnn(C)c4)oc3c2)N=N1 2325900463 ZRHXNZQJTLWPSS-UHFFFAOYSA-N 362.393 3.523 30 50 FHEA COc1cccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c1 5095290 AZAOPXCUWDXTQL-LJQANCHMSA-N 357.409 3.997 30 50 FHEA C#Cc1cccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(OC)cc3C)C2)c1 12314650 YIYVIZAEOFTSEZ-LJQANCHMSA-N 361.441 3.720 30 50 FHEA C=CCn1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 67868349 ZQFUGFHERDTQME-CQSZACIVSA-N 351.454 3.566 30 50 FHEA Cc1c(-c2cc(-c3ccc(N4CCCCC4)cc3)nc(N)c2C#N)cnn1C 71753025 IVZOTJYLRQSGNC-UHFFFAOYSA-N 372.476 3.902 30 50 FHEA CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 847273 JATFYDMGZWHNST-FQEVSTJZSA-N 368.477 3.674 30 50 FHEA O=C(C[n+]1ccc(-c2cccc3ccccc23)nc1)c1ccc([N+](=O)[O-])cc1 6342587 BABNYBVVDFWHQV-UHFFFAOYSA-N 370.388 3.980 30 50 FHEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CCO[C@@H](C2CC2)C1 328714003 SFQDFFUKPNAGMG-HXUWFJFHSA-N 351.450 3.637 30 50 FHEA C[C@@H]1CCCN(CCNC(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C1 426381449 MIPORLOIPGNCQJ-MRXNPFEDSA-N 365.452 3.826 30 50 FHEA COc1cc(Br)cc(/C=C2\N=C(SC)SC2=O)c1OC 1117878 RHPBUMSZYNNQON-UITAMQMPSA-N 374.281 3.800 30 50 FHEA CCCCCOc1ccccc1/C=N/N=c1\[nH]n2cnnc2c2ccccc12 1781630 ZFGQUHHMWMCQSR-HYARGMPZSA-N 374.448 3.714 30 50 FHEA CC[C@@H](C)[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(Cl)cc1 2325850061 KWUWELXZDUDTKY-KZULUSFZSA-N 369.856 3.837 30 50 FHEA C#CCOc1ccccc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 2602891 NDIKXICBISFWAB-UHFFFAOYSA-N 361.441 3.742 30 50 FHEA C=C(C)CN(CC)C(=O)c1coc(COc2ccc3ncccc3c2)n1 12448793 YXSPRANGJVYSDY-UHFFFAOYSA-N 351.406 3.840 30 50 FHEA Cc1cccnc1N/C(=N/S(=O)(=O)c1cccs1)c1ccccc1 16474852 HZKZIGMRFUQXCT-UHFFFAOYSA-N 357.460 3.699 30 50 FHEA C[C@@H](/N=C(/O)[C@H]1C[C@@]12CCOc1ccc(F)cc12)c1nnc2n1CCCC2 328606285 QYSMCIIFMRZBDP-ASNKJTAVSA-N 370.428 3.511 30 50 FHEA CC(C)c1noc([C@H](N/C(O)=N/[C@@H](C)c2ccco2)C2CCOCC2)n1 328619105 FLQJQWZUZFKPKH-SWLSCSKDSA-N 362.430 3.519 30 50 FHEA CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc(F)ccc2C#N)CC1 366073929 QCWZGEYIWWGLCB-OAQYLSRUSA-N 357.473 3.700 30 50 FHEA O=C(C[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 2923554 YCAHTGLVMDENOA-VIFPVBQESA-N 350.205 3.791 30 50 FHEA C=CCSC1=N/C(=C\c2ccccc2OCC(=O)OCC)C(=O)S1 3460623 DAAMYFVEMOUZSO-RAXLEYEMSA-N 363.460 3.518 30 50 FHEA CCCCN1CCC[C@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC 3791397 IDZASIQMRGPBCQ-KRWDZBQOSA-N 365.477 3.714 30 50 FHEA biogenic,investigational C=C(C)CN(CC)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 14753193 JWIRVPSIURLTED-GOSISDBHSA-N 372.557 3.530 30 50 FHEA C=CCN(Cc1ccccc1OCC)C(=O)c1cccc2c1OCCO2 55307851 FWDSAWVCPQRVJC-UHFFFAOYSA-N 353.418 3.685 30 50 FHEA CN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCCC[C@H]21 169766088 LCMYGPDNUNYQGC-FQEVSTJZSA-N 374.444 3.603 30 50 FHEA CC[C@@H]1CCC[C@@H](N/C(O)=N/Cc2ccnc(OC3CCOCC3)c2)C1 329584339 QULAEMIZDSUTCG-NVXWUHKLSA-N 361.486 3.612 30 50 FHEA N#Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)cc1 1875271795 XBKXOGFJBXGSBP-LZLYRXPVSA-N 374.362 3.530 30 50 FHEA N#Cc1c(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)sc2c1CCCC2 780309 GTIYDDYACYJWJM-CYBMUJFWSA-N 371.506 3.618 30 50 FHEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 2801329 WTCNAYPUXMJTKU-HXUWFJFHSA-N 369.461 3.543 30 50 FHEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C[C@@H]1C[C@H]2C=C[C@H]1C2 218601505 OQPGQZUOFQEDMP-BPUTZDHNSA-N 363.486 3.534 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccco1 240902767 IVFRUNMVGVCYJG-YLJYHZDGSA-N 353.418 3.665 30 50 FHEA CCc1ccc(S(=O)(=O)N/N=C(/C)c2ccc3ccccc3c2O)cc1 17075576 SALRPMNEIMIOHY-STZFKDTASA-N 368.458 3.810 30 50 FHEA C=CCC1(NC(=O)C2(CCF)CC2)CCN(C(=O)OC(C)(C)C)CC1 1875297544 VXRHFKLFNWAIAI-UHFFFAOYSA-N 354.466 3.588 30 50 FHEA C=C(C)COc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1 952977077 ASXALLYFIWWNTC-UHFFFAOYSA-N 357.406 3.920 30 50 FHEA C=CCSC1=N/C(=C\c2cccc(OCC)c2OC(C)=O)C(=O)S1 3003204 FFSUAGNLBSTQDE-RAXLEYEMSA-N 363.460 3.900 30 50 FHEA CC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CCc1ccccc1 636133 FSSQLPCFBYIRRX-UHFFFAOYSA-N 355.401 3.657 30 50 FHEA O=C1CCC(=O)N1SC1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F 2921620 GDWMQXVVEBGQAN-UHFFFAOYSA-N 373.196 3.520 30 50 FHEA CC#CC[C@H](C)C(=O)/C=C/[C@H]1[C@@H](O)C[C@H]2C/C(=C\CCCC(=O)O)C[C@H]12 64859028 LDICATDQJSBQOX-FPFHKQMBSA-N 358.478 3.750 30 50 FHEA in-vitro C=CCSc1nnc([C@H]2CCCN(C/C=C/c3ccccc3)C2)n1C 20271238 LBUPVWHKPAHXPX-DBEXCURXSA-N 354.523 3.986 30 50 FHEA COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)c(OC)c1OC 67947194 HJKNLTCJNYHDTN-UHFFFAOYSA-N 361.401 3.895 30 50 FHEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/[C@@H](C)c1nnc(C)s1 328607575 WNCBSMWLMFIBIF-DGVXXNCNSA-N 359.451 3.613 30 50 FHEA CCO[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C12CCOCC2 302295619 XKWWWDUPDZWHCH-HOTGVXAUSA-N 354.372 3.963 30 50 FHEA CCOc1cc(C#N)c(NC(=O)Cc2ccc(OC)cc2)cc1OCC 1076811 CYMJFXYOKNQWBB-UHFFFAOYSA-N 354.406 3.545 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2C#N)C[C@@H]1c1ccccc1 1080025 OLWLAXYIZFLXQE-WIYYLYMNSA-N 360.413 3.790 30 50 FHEA CCOc1cc(/C=C/C(=O)c2nn(C)cc2Cl)ccc1OC(F)F 6554004 RIGUWTWHXUBGET-GQCTYLIASA-N 356.756 3.970 30 50 FHEA Cc1ccc(Sc2ccc(NC(=O)N[C@@H]3CNC[C@H]3C#N)cc2)cc1C 841033523 PZNOTYMITQRDRU-DNVCBOLYSA-N 366.490 3.688 30 50 FHEA CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 363570289 XEBOGGISFOGAKB-WOJBJXKFSA-N 362.433 3.949 30 50 FHEA CC(C)[C@@H]1CN(c2ccc(C#N)cn2)CCCN1Cc1ccc(F)cc1 71756974 NMMJNXNSJJWUML-FQEVSTJZSA-N 352.457 3.829 30 50 FHEA C#CCCC1(CCC(=O)Nc2cc(-c3nc(CC)no3)ccc2C)N=N1 1875382339 YLNNWWVLDOEGOD-UHFFFAOYSA-N 351.410 3.902 30 50 FHEA Sc1nnc(-c2ccc(Br)cc2)n1/N=C/c1ccccc1 2573419 LTDHEZDSGOLLHR-LICLKQGHSA-N 359.252 3.879 30 50 FHEA CN(C)N1C(=O)C[C@H](c2ccccc2C(F)(F)F)C2=C1CCCC2=O 1422726 RELQGJUOWFPFFO-GFCCVEGCSA-N 352.356 3.505 30 50 FHEA COc1cccc(/C=N/c2ccccc2-c2nnc(=S)[nH]c2O)c1OC 3189786 NJCOWJGIHHCVNX-VXLYETTFSA-N 368.418 3.675 30 50 FHEA N#Cc1c(-c2ccccc2-c2ccco2)cc(-c2cc(C(=O)O)[nH]n2)nc1N 71767666 MVCBQGZMSABSSM-UHFFFAOYSA-N 371.356 3.551 30 50 FHEA CCCCCCCNC1=C(C(=O)CCC)C(=O)[C@@H](C(=O)OC)C(C)(C)C1 100319800 PBBGNTOZCRYZCV-SFHVURJKSA-N 365.514 3.958 30 50 FHEA biogenic N#C[C@@H]1CCC[C@@H]1N/C(O)=N/[C@H]1C[C@H](c2ccc(Br)cc2)C1 329795542 GOKFEBJNTWBEFH-SDADXPQNSA-N 362.271 3.891 30 50 FHEA CC(C)c1noc([C@@H]2CCCN(Cc3ccc(C#CC(C)(C)O)s3)C2)n1 822281193 CJJYVWOVUWWSDG-OAHLLOKOSA-N 373.522 3.757 30 50 FHEA N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 1565510428 USPINQAWFZYZEY-IRLDBZIGSA-N 373.500 3.727 30 50 FHEA COc1ccc(-c2nc(C#N)c(NC[C@@H]3CCCN4CCCC[C@H]34)o2)cc1 1857799500 GUOQTOTZQQIKLM-QFBILLFUSA-N 366.465 3.898 30 50 FHEA N#Cc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 676797 VEZVTSGKSMRWLG-UHFFFAOYSA-N 365.614 3.992 30 50 FHEA C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccncc1 723821 YACRSENJMCLGIQ-UHFFFAOYSA-N 354.410 3.640 30 50 FHEA CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccn1 19638535 UGTZYXZUNXEWER-FQEVSTJZSA-N 354.450 3.783 30 50 FHEA CCCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1 20170992 ZWXYMMBRGKNPEH-HAVVHWLPSA-N 351.494 3.936 30 50 FHEA O=C(/C=C/c1cc2c(cc1OC(F)F)OCO2)c1cn2ccccc2n1 328593109 BAVGJSBILHZFQZ-SNAWJCMRSA-N 358.300 3.561 30 50 FHEA Cc1noc2nc(C3CC3)cc(C(=O)N(C)CCc3cccc(C#N)c3)c12 863432906 KFNXXEHXCXGONN-UHFFFAOYSA-N 360.417 3.595 30 50 FHEA Cc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1Cl 958085 KDWQOHPYJYLFQO-UHFFFAOYSA-N 355.850 3.975 30 50 FHEA C[C@@H]1CC[C@@](C#N)(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C1 101172624 QMTTTYCGJUXRGP-OPAMFIHVSA-N 359.429 3.928 30 50 FHEA N#Cc1cc([N+](=O)[O-])ccc1N[C@H](CO)c1c(Cl)cccc1Cl 225462926 RERURQIZUWGNPM-CQSZACIVSA-N 352.177 3.919 30 50 FHEA O=C1CCCC(O)=C1C(C1=C(O)CCCC1=O)c1cccc([N+](=O)[O-])c1 252497184 QAXCEJHNDXSUTP-UHFFFAOYSA-N 357.362 3.809 30 50 FHEA N#Cc1ccc(N=C(O)CCN2CCOC[C@H](C3CCC3)C2)cc1Cl 330246141 LBYJUTNNCSEAOB-MRXNPFEDSA-N 361.873 3.938 30 50 FHEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2C)C2=C(CCCC2=O)N1 5646570 FEBHLVREBIFVGE-NRFANRHFSA-N 373.456 3.997 30 50 FHEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2sccc2C)cc1 9332182 MUBRZMFKBOEYKT-LICLKQGHSA-N 359.480 3.580 30 50 FHEA Brc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1 19771486 RMVJSHOIENRKIK-XSFVSMFZSA-N 358.283 3.601 30 50 FHEA N#C[C@@H]1CCCN(C(=O)c2cc(-c3cn[nH]c3)nc3cc(Cl)ccc23)C1 20907939 JJSRBFMEALTRNB-LBPRGKRZSA-N 365.824 3.654 30 50 FHEA Cc1oc2c(c1/C(O)=N/[C@H](Cc1c[nH]c3ccccc13)C(=O)O)CCCC2 82138172 VTJPKQGGFNETLG-QGZVFWFLSA-N 366.417 3.949 30 50 FHEA Cc1nc(N2CCC[C@@H](c3nc(CC(C)C)no3)C2)c(C#N)c(C)c1C 1704314610 UWNVPTZMKAAUBN-MRXNPFEDSA-N 353.470 3.844 30 50 FHEA CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1 100494424 MAAUCDGBNAAPNZ-GOSISDBHSA-N 360.454 3.837 30 50 FHEA Cc1cc(C)n(-c2ccc(N3CCC(N4CCC[C@H](C#N)C4)CC3)cc2)n1 23543824 LPBPLZCVWNTHNB-LJQANCHMSA-N 363.509 3.694 30 50 FHEA Cc1[nH]nc2c1[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 1386334 BEOOLTINJRWUPV-KRWDZBQOSA-N 351.406 3.647 30 50 FHEA CCOc1cc(C=NN2CCN(Cc3ccccc3Cl)CC2)ccc1O 238899574 GSMSHLLKVKVLLZ-UHFFFAOYSA-N 373.884 3.596 30 50 FHEA Cc1cc(Cn2nnc(/C(O)=N/[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2C)on1 330278258 PJUUTAYJHCVOJL-HRCADAONSA-N 357.458 3.595 30 50 FHEA N#CCCC(CCC#N)(CCC#N)c1cc[n+](CCc2ccccn2)cc1 8701005 RMHNHEXLYORXDG-UHFFFAOYSA-N 358.469 3.761 30 50 FHEA N#Cc1ccc(F)cc1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 286442095 WSAHNQHSRUIOHH-DLBZAZTESA-N 356.401 3.659 30 50 FHEA Cc1ccc(S(=O)(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4209657 PINKCJQTXUFJAN-YBFXNURJSA-N 359.838 3.509 30 50 FHEA C=CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccc(OC)cc1 645821 CPYXISGHPWLNJY-UHFFFAOYSA-N 369.406 3.594 30 50 FHEA COc1ccc(/C(C)=N\N=C2/NC(=O)[C@@H](Cc3ccc(C)cc3)S2)cc1 15659934 KSRPXQBWLYPLBL-QWQBBLJPSA-N 367.474 3.558 30 50 FHEA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1ccc(C#N)nc1 67472837 BLMUQMQBYSPMLF-UHFFFAOYSA-N 358.401 3.687 30 50 FHEA COc1cc(/N=C/c2cc(Br)cc(OC)c2O)cc(OC)c1 100317020 QMDYONALYHDASI-GIJQJNRQSA-N 366.211 3.931 30 50 FHEA CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2521706 UEILDTJIWLTXGF-LPYMAVHISA-N 363.490 3.666 30 50 FHEA C[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H](O)C=CC1=O 71769384 SRVMANVGDMJQHJ-ZWKOTPCHSA-N 359.219 3.805 30 50 FHEA CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2F)C1 72165227 IJJXUJKZPAAZPP-LJQANCHMSA-N 366.440 3.826 30 50 FHEA N#Cc1c(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)sc2c1CCCCC2 100709471 RRSKSLDMAKYXOF-CHWSQXEVSA-N 360.866 3.911 30 50 FHEA CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCc2c(Cl)cccc2C1 155431083 NISCXDDEYIULTC-UHFFFAOYSA-N 354.837 3.954 30 50 FHEA COc1ccc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1C#N 286214996 LADMMOXGVQGNDO-SJLPKXTDSA-N 368.437 3.529 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](C)c2nc(-c3cccnc3)cs2)N=N1 2325886051 DSCRNVYCCRKLIU-ZDUSSCGKSA-N 353.451 3.738 30 50 FHEA CC(C)CCn1ncc(N=C(O)N2CC[C@H](c3cnn(C)c3)C2)c1C(C)C 330191341 WZGJMFGWLQACQU-INIZCTEOSA-N 372.517 3.821 30 50 FHEA CC1(C)OB(c2ccc(NC(=O)OCc3ccccc3)cc2)OC1(C)C 169746906 INBLGLWXMBCHFV-UHFFFAOYSA-N 353.227 3.735 30 50 FHEA in-vitro CCOC(=O)C1=C(c2ccccc2)NC(=S)[C@H](C#N)[C@H]1c1ccccc1 3883680 PZWSRGFTFGHOTK-IAGOWNOFSA-N 362.454 3.815 30 50 FHEA in-vitro CCO/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 18153890 SDFAJVSJVAGLST-BMRADRMJSA-N 368.252 3.621 30 50 FHEA C=CCN(Cc1ccco1)C(=O)c1ccc(CSc2ncccn2)o1 65371589 YXAAEZHWOXEWPO-UHFFFAOYSA-N 355.419 3.783 30 50 FHEA O=C1N=C2C=CC=C3C(=O)c4ccccc4C(=C1NCCc1ccccc1)[C@H]32 146050502 QVEVXIXBUORVGE-HXUWFJFHSA-N 366.420 3.520 30 50 FHEA CCOCc1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 170615446 ASNORLINPGURLX-UHFFFAOYSA-N 354.454 3.973 30 50 FHEA Cc1ccc2c(c1)c(CNC(=O)CC1=C(c3ccccc3)CCC1=O)nn2C 952873707 NHASFKBSDFOBBQ-UHFFFAOYSA-N 373.456 3.705 30 50 FHEA CC(C)(C)c1ccc(OCCOc2ccccc2/C=N/NC(N)=S)cc1 2970871 WDFUNYWUTOSQQM-HYARGMPZSA-N 371.506 3.609 30 50 FHEA N#Cc1c(C2CCNCC2)cc(-c2cc(F)cc(C(F)(F)F)c2)nc1N 71753821 QKCQWNBBJSGSGZ-UHFFFAOYSA-N 364.346 3.827 30 50 FHEA C/C(O)=C/C(=O)c1c(C)nn(-c2nc(-c3ccc(C)cc3)cs2)c1O 100095911 CCHDAJDCCLRZIH-FLIBITNWSA-N 355.419 3.963 30 50 FHEA CC(C)/N=C(/O)N1CCC[C@H]1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 330986449 PYVBTHASEKQDFI-IBGZPJMESA-N 373.472 3.618 30 50 FHEA COc1ccc2c(c1)[C@@H](C)N(C(=O)c1cccc(C#CC(C)(C)O)c1)CC2 1506398586 SHWPGQAUXCIYNX-MRXNPFEDSA-N 363.457 3.577 30 50 FHEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 2801328 WTCNAYPUXMJTKU-FQEVSTJZSA-N 369.461 3.543 30 50 FHEA C=CCC[C@@H](CN(C)C1CCN(C)CC1)Oc1cc(C(C)C)nc(C)n1 67757040 OZLIGKUMIMZMKC-IBGZPJMESA-N 360.546 3.648 30 50 FHEA C=C(C)COc1c(OC)cccc1-c1c(C#N)c(N)nc2c1CO[C@H]2C 71575328 PLKMLKZURSWDQB-LBPRGKRZSA-N 351.406 3.757 30 50 FHEA C=C(C)COc1ccccc1NC(=O)N1CC[C@@H](n2nc(C)cc2C)C1 96164587 NKELPWRRKIYBRS-QGZVFWFLSA-N 354.454 3.934 30 50 FHEA COc1ccc(C[C@H](C)C/N=C(/O)N2CCOC[C@H](C3CCC3)C2)cc1 330220289 QCEKMOVQEZLXMJ-QFBILLFUSA-N 360.498 3.536 30 50 FHEA Cc1nc(-c2cccc(C(=O)N(C)Cc3cnn(C)c3)c2)c(C#N)c(C)c1C 584903081 SMZZRWZOJNEHGR-UHFFFAOYSA-N 373.460 3.551 30 50 FHEA C=CC(=O)N(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1COc2ccccc21 1875386692 WVGNEFUTLJLTPM-SFHVURJKSA-N 358.441 3.933 30 50 FHEA Cc1ccc(C2=NNC(=O)[C@@H](c3cn(CCC#N)c4ccccc34)C2)cc1 5027851 ROJHCILPOWFCJG-GOSISDBHSA-N 356.429 3.871 30 50 FHEA Cc1n[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 5124310 YHJPUFVICIRSNV-INIZCTEOSA-N 352.394 3.827 30 50 FHEA C#CCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 12342687 YURUDRKAXOPGEN-XNTDXEJSSA-N 354.343 3.524 30 50 FHEA C=CCNc1ccccc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 55413450 XKLMNYWOBHIDAY-GOSISDBHSA-N 351.450 3.501 30 50 FHEA COCc1ccc(NC(=O)N2C[C@H](C)OC3(CCCCC3)C2)cc1C#N 888100407 JTUVNDDEGDMRKP-HNNXBMFYSA-N 357.454 3.660 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1205513 PLRCSDSMQBKJJP-LJQANCHMSA-N 350.418 3.550 30 50 FHEA CC1(C)OB(c2ccccc2C(=O)Nc2ccc(F)cc2F)OC1(C)C 170004649 QUKZTKKOSCUPAV-UHFFFAOYSA-N 359.181 3.516 30 50 FHEA CCCOc1ccc(C=Nn2c(S)nnc2-c2ccc(OC)cc2)cc1 245226105 IJQANIXFLNGWBH-UHFFFAOYSA-N 368.462 3.913 30 50 FHEA CC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(C)[nH]c(=S)c(C#N)c2C[C@@]1(C)O 170622419 DUHGJUMRGHOAPY-NLWGTHIKSA-N 352.459 3.568 30 50 FHEA Cn1c(SCc2cccc(C#N)c2)nc2sc3c(c2c1=O)CCC3 4841422 IXXHGEZNMZRREN-UHFFFAOYSA-N 353.472 3.648 30 50 FHEA C=C(C)CSc1nnc2[nH]c3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 101156949 QTUYFNVQSQNNRQ-HXUWFJFHSA-N 366.490 3.977 30 50 FHEA N#Cc1ccc(N2CC[C@H](C3CCN(CCc4ccccc4)CC3)C2)nc1 72158131 SAXDRMILIRVTEB-QFIPXVFZSA-N 360.505 3.734 30 50 FHEA Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1cnc(-c2ccco2)nc1 71639257 WXTXLUCKDIGBDE-UHFFFAOYSA-N 369.384 3.934 30 50 FHEA CC(C)O[C@H](C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccccc1 1875366722 CYZIVCUMWWCNIY-MSOLQXFVSA-N 373.302 3.847 30 50 FHEA C=CC(=O)N1CCCc2cc(C(=O)OCc3cccc(C#N)c3F)ccc21 1875371654 IIOKCXPPXGKLOI-UHFFFAOYSA-N 364.376 3.520 30 50 FHEA O=C(C[n+]1ccc(-c2cccc(Br)c2)nc1)c1cccs1 5713895 MDDPOCSVOOSIHV-UHFFFAOYSA-N 360.256 3.743 30 50 FHEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2)cc1 13124627 QACQTXVGMYXTPG-HRAATJIYSA-N 372.428 3.702 30 50 FHEA S=C(N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 1682576 IMPWGGGRTFHXJR-VNIJRHKQSA-N 351.262 3.826 30 50 FHEA C=CCOc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 4868819 FWFAGUFZPRAHKA-UHFFFAOYSA-N 369.808 3.885 30 50 FHEA CCCN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 170006746 UMALPXMWPOYXLY-UHFFFAOYSA-N 362.279 3.532 30 50 FHEA CC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1 169746164 AYUCJBOQVMWQJD-UHFFFAOYSA-N 373.302 3.890 30 50 FHEA in-vitro COc1ccc2c(B3OC(C)(C)C(C)(C)O3)cn(C(=O)OC(C)(C)C)c2c1 169746307 NEVYMHCTIQBRQU-UHFFFAOYSA-N 373.258 3.732 30 50 FHEA in-vitro C=C(Cl)CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1 1713706 KQTCMVGXIBTFSI-UHFFFAOYSA-N 365.838 3.641 30 50 FHEA COCCN(Cc1ccc(C)cc1)Cc1ccc(C#CC(C)(C)O)s1 55089098 HSMMGETYLNVWOD-UHFFFAOYSA-N 357.519 3.828 30 50 FHEA C=CCn1nc(C)c(CN2CCc3[nH]cnc3[C@H]2c2cccc(F)c2)c1C 67473382 BNFPGPDZPTVHNL-OAQYLSRUSA-N 365.456 3.696 30 50 FHEA Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccc(Cl)cc2Cl)cc1 1227063 SEKTYHKCZCAEFZ-VCHYOVAHSA-N 357.262 3.956 30 50 FHEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C2=C(CCCC2=O)N1 19790647 ZLDPZPCLUAMEJE-OAQYLSRUSA-N 363.413 3.991 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccncc1 862958 NGSVVQKKUNFKJJ-UHFFFAOYSA-N 365.462 3.565 30 50 FHEA C=CCN(C/C=C/c1ccccc1)C(=O)c1cccc(NCC(=O)O)c1 55245535 ZUUFJGRWVNHBJF-JXMROGBWSA-N 350.418 3.525 30 50 FHEA CN1CCC[C@H](CN(CCc2ccccc2)C(=O)c2ccccc2C#N)C1 95527816 UUXNEWNWYLPKEQ-FQEVSTJZSA-N 361.489 3.585 30 50 FHEA CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 1125223 UJPKCEBZOLMXRZ-LJQANCHMSA-N 356.491 3.729 30 50 FHEA C=CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)SC1=S 1188903 UEKSDIVTIDTJCB-XYOKQWHBSA-N 370.293 3.845 30 50 FHEA Cc1ccc(C(=O)Nc2cc(C#N)c3sc4ccccc4n3c2=O)cc1 2881704 JTGGINGWUNMAHZ-UHFFFAOYSA-N 359.410 3.947 30 50 FHEA C=CCNC(=O)c1sc2ncnc(NCCc3ccccc3)c2c1C 12160259 UFHJIWWPOAMXTL-UHFFFAOYSA-N 352.463 3.570 30 50 FHEA C=C(C)COc1ccccc1C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccn1 55036619 JDYCNVYYDJQRSO-OAQYLSRUSA-N 374.444 3.548 30 50 FHEA C=CCOc1ccc(Cl)cc1[C@H]1CC(=O)NCc2nc3sccn3c21 65430768 SJWSPROBDJYVSX-CYBMUJFWSA-N 373.865 3.766 30 50 FHEA C[Si](C)(C)c1ccc(C/N=C(/O)C2CCN(CC(F)(F)F)CC2)cc1 328591344 LXRLCIIEENBCJW-UHFFFAOYSA-N 372.507 3.963 30 50 FHEA C=CC[C@@H]1N(C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CCCC1(C)C 225512114 KDICHCQSNUMJJM-UXHICEINSA-N 372.509 3.856 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(Cl)c(F)c1)CC2 91780246 XAOIWAHIAQRGQB-UHFFFAOYSA-N 364.848 3.510 30 50 FHEA CC1(C)OB(c2cnn(Cc3ccc(Cl)cc3Cl)c2)OC1(C)C 169996560 MYKRTJURUNAXAX-UHFFFAOYSA-N 353.058 3.537 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F 19300824 ZBSIGKQXMCNKJN-GOSISDBHSA-N 357.425 3.993 30 50 FHEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)cc2OC)c1 6007351 GIKHOPYLLBANTF-YBFXNURJSA-N 370.434 3.516 30 50 FHEA O/C(=N/Cc1cccc2cccnc12)N1CCC(c2nccs2)CC1 328764388 OTJIEMBXBYQRFU-UHFFFAOYSA-N 352.463 3.985 30 50 FHEA N#Cc1ccc(-c2nc3c(C#N)c(-c4ccc5c(c4)OCO5)ccn3n2)cc1 4050902 BQOHUKYUAUOVJF-UHFFFAOYSA-N 365.352 3.535 30 50 FHEA O/C(=N/C1Cc2ccccc2C1)N[C@@H]1c2ccccc2CC12CCOCC2 329615055 PLEUAKVDXHZAEL-OAQYLSRUSA-N 362.473 3.752 30 50 FHEA N#CCCN(Cc1ccco1)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 124381735 FISYUUOUOUSNLM-UHFFFAOYSA-N 352.394 3.502 30 50 FHEA Cc1noc([C@H]2CCCCN2C(=O)CC2=C(c3ccccc3)CCC2=O)n1 825300868 PQYNMURTZKLUBR-GOSISDBHSA-N 365.433 3.638 30 50 FHEA COCc1ccc(NC(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cc1C#N 888100408 JTUVNDDEGDMRKP-OAHLLOKOSA-N 357.454 3.660 30 50 FHEA O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 1211635 ALKHVXWTZQBPPH-RELWKKBWSA-N 365.320 3.738 30 50 FHEA C=CCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12573067 IKCRXAABNGIJKS-UHFFFAOYSA-N 364.489 3.688 30 50 FHEA CCOc1cc(/C=N/n2c(-c3ccc(OC)cc3)n[nH]c2=S)ccc1O 1473621 RCMBAIBUVUVDKE-YBFXNURJSA-N 370.434 3.603 30 50 FHEA Sc1nnc(-c2ccncc2)n1/N=C/c1ccc(Cl)cc1Cl 1475304 YSRJTNRDAPMYKW-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA C=CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 2091432 MCHUZSCJDSTJHA-UHFFFAOYSA-N 366.369 3.577 30 50 FHEA biogenic COC(=O)c1sccc1NC(=O)CC1=C(c2ccccc2)CCC1=O 2100556718 QNDYHEXKCQHJHT-UHFFFAOYSA-N 355.415 3.680 30 50 FHEA C=CCOc1ccc(COc2cc(OC)c(OC)c(OC)c2)cc1OC 4772568 SCYTUGCRHJHRRU-UHFFFAOYSA-N 360.406 3.865 30 50 FHEA CC#CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 12053531 SYSYOLQRWYDSNV-SFHVURJKSA-N 364.420 3.693 30 50 FHEA CN(C)c1ccc(/C=C2\C(=O)C(=O)c3ccccc32)cc1Br 16667813 PDICWBKEPHQKDP-ZROIWOOFSA-N 356.219 3.821 30 50 FHEA COc1ccc([C@@H]2CC(=O)C=C(NCc3ccc4c(c3)OCO4)C2)cc1 100951964 GRHQAIOTJQZNOJ-INIZCTEOSA-N 351.402 3.544 30 50 FHEA Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cccc(C#N)c1 193272305 BHNSKZPEESHNGA-UHFFFAOYSA-N 369.490 3.653 30 50 FHEA CC[C@@H](/N=C(/O)c1sc(-c2ccc(F)cc2)nc1C)C(OC)OC 328596194 WOUZJDGISQSJBN-CYBMUJFWSA-N 352.431 3.960 30 50 FHEA COc1ccc2c(c1)[C@H](C)N(C(=O)c1cccc(C#CC(C)(C)O)c1)CC2 1506398585 SHWPGQAUXCIYNX-INIZCTEOSA-N 363.457 3.577 30 50 FHEA COc1cc(OC)c2cc(CN[C@H]3CCc4cc(C#N)ccc43)cnc2c1 1875263128 XCYIXDOHVKCGKA-FQEVSTJZSA-N 359.429 3.901 30 50 FHEA Cc1cccc(OCC(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c1C 2840755 QKKSZUVCGQBSLJ-UHFFFAOYSA-N 373.503 3.745 30 50 FHEA Cc1ccc(/C=N/N=C2/N=C(O)[C@H](CC(=O)Nc3ccccc3F)S2)o1 5102267 BQNNBOJXYDQCTG-FRSZACSASA-N 374.397 3.518 30 50 FHEA C=CCn1c(CN2CCC(Cc3ccc(O)nc3)CC2)nc2ccccc21 1772814614 JZLHBGYUTNQWDN-UHFFFAOYSA-N 362.477 3.778 30 50 FHEA O/C(=N/[C@@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCn2cncc2C1 328958479 OKCCFPAQIBJCPE-TVQRCGJNSA-N 352.221 3.843 30 50 FHEA C=C1[C@@H](OC(=O)CCCc2nc3ccccc3c(=O)[nH]2)C[C@H]2C[C@@H]1C2(C)C 225691073 UTPUJULVJGYUPZ-HFTRVMKXSA-N 366.461 3.780 30 50 FHEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)cc2)cc1 6819608 AJVWSJMDLJFZDW-CRAIPNDOSA-N 365.404 3.839 30 50 FHEA COc1ccc2ccccc2c1C/N=C(/O)[C@@H]1CC12CCS(=O)(=O)CC2 328836558 MYRJBOJPYDMNSQ-KRWDZBQOSA-N 373.474 3.520 30 50 FHEA C#CCCC1(CCC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)N=N1 952879758 HDEJURHIMLISFT-ICSRJNTNSA-N 361.449 3.584 30 50 FHEA O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@H]1Cc1ccc(F)cc1 18209079 FZRYJXVHJVTGSH-VYXQJKENSA-N 361.829 3.643 30 50 FHEA CC(=O)O/N=C1/c2ccccc2-c2ccc(I)cc21 5481100 BTKIBFVBXUMETA-ICFOKQHNSA-N 363.154 3.587 30 50 FHEA Cc1cc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)c2ccccc2n1 4717864 NQXFBBIGTSJRAW-UHFFFAOYSA-N 371.444 3.769 30 50 FHEA C=C(C)COc1cccc(C(=O)NCc2nncn2C2CCCCC2)c1 55168266 KRLWIOSRBDXRPX-UHFFFAOYSA-N 354.454 3.668 30 50 FHEA Cc1ccc([C@H]2C[C@H](C)N(S(=O)(=O)Cc3cccc(C#N)c3)C2)cc1 332653479 KRRKXGZIFKRFDI-JXFKEZNVSA-N 354.475 3.575 30 50 FHEA COC(=O)c1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)cc1 6056286 FAKFWDFQYCYLFY-YBFXNURJSA-N 352.419 3.585 30 50 FHEA C=CCOC(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 2910849 MSCAABWMVQVBRU-UHFFFAOYSA-N 350.370 3.876 30 50 FHEA CCCN(CC#Cc1ccccc1)Cc1c(C)n(C)n(-c2ccccc2)c1=O 55369669 LCWRYHDBVKQVIM-UHFFFAOYSA-N 373.500 3.748 30 50 FHEA Cc1nc(N2CCN(CCc3ccccc3)CC2)c(C#N)c(C)c1Cl 65366273 JPOKALYZYLRXIW-UHFFFAOYSA-N 354.885 3.588 30 50 FHEA COc1cccc(C(O)=Nc2ccc(F)c(N3CCCN=C3O)c2)c1F 328592945 ATMWZHACLNHJEO-UHFFFAOYSA-N 361.348 3.734 30 50 FHEA Cc1ccc(SC2CCCC2)c(/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)c1 329412450 CKEREQYPUUIROF-CQSZACIVSA-N 367.536 3.912 30 50 FHEA Cn1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)c(C(C)(C)C)n1 179778961 WVMZUKYLSLQTJT-UHFFFAOYSA-N 352.482 3.633 30 50 FHEA CCCC(=O)C1=C(NCCc2ccc(OC)c(OC)c2)CC(C)(C)CC1=O 100319215 FXEOAANOWJETLU-UHFFFAOYSA-N 373.493 3.848 30 50 FHEA CCOC(=O)Cc1cc(OC)c(OC)cc1/C(C)=N/Nc1ccccc1 5073758 GKRPVOGKNVGUTN-KGENOOAVSA-N 356.422 3.646 30 50 FHEA Cc1nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)ccc1C#N 2325782417 XWQPRIVGWARNJS-UHFFFAOYSA-N 355.825 3.599 30 50 FHEA CC[C@@H](C)[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(Cl)cc1 2325850063 KWUWELXZDUDTKY-XIKOKIGWSA-N 369.856 3.837 30 50 FHEA CC(C)C[C@H](C)C(=O)NCC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 2325866916 DXZORTZDTLVPJB-ICSRJNTNSA-N 355.526 3.959 30 50 FHEA Cc1ccc([C@]23C[C@@H]2CN(c2ncc(Br)cc2C#N)C3)cc1 2325867857 HNRMUMVFPHXTDU-CRAIPNDOSA-N 354.251 3.802 30 50 FHEA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C)C2=C(CCCC2=O)N1 5646571 FEBHLVREBIFVGE-OAQYLSRUSA-N 373.456 3.997 30 50 FHEA CC(=O)Nc1ccc([C@@H]2C3=C(CCCC3=O)O[C@H]3CCCC(=O)[C@@H]32)cc1 12379613 FSGGLVGJQVCFIE-IHPCNDPISA-N 353.418 3.504 30 50 FHEA C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 744371531 VFVHIYWTSWVLHV-UHFFFAOYSA-N 359.307 3.954 30 50 FHEA CCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O 102192618 VITGNIYTXHNNNE-LHMZYYNSSA-N 365.451 3.651 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1Cl 25694831 DBGYTQQTKVQZJZ-MRXNPFEDSA-N 360.841 3.512 30 50 FHEA CC(C)(C)c1cc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)[nH]n1 299796381 NPZYCKOMZVUSOP-UHFFFAOYSA-N 351.450 3.530 30 50 FHEA O=S(=O)(/N=C(\c1ccccc1)N1CCCCCC1)c1ccc(F)cc1 16474485 VAYSXLBZEDACPZ-XUTLUUPISA-N 360.454 3.837 30 50 FHEA Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Br)cc2)cc1 17016267 URSBXXLCWDXPIO-OAHLLOKOSA-N 372.218 3.623 30 50 FHEA CN1C2=C(C(=O)CCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O 1113471 XRUBDVFDURMKEE-UHFFFAOYSA-N 352.390 3.638 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1 8566192 AYWWAQZGYZKPDN-MRXNPFEDSA-N 368.389 3.924 30 50 FHEA CCOc1cc(C#N)c(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC 1076825 WOMYZVGVWVRAON-UHFFFAOYSA-N 369.377 3.825 30 50 FHEA Cc1ccc(-c2nc(-c3ccccc3)nc(N3CCN(C)CC3)c2C#N)cc1 3104899 CBEREADEJCKPHF-UHFFFAOYSA-N 369.472 3.743 30 50 FHEA OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681822 STLNAVFVCIRZLL-UHFFFAOYSA-N 350.074 3.718 30 50 FHEA in-vitro Cc1ccc(/C=N/N=C2/N=C(O)[C@@H](CC(=O)Nc3ccccc3F)S2)o1 991618 BQNNBOJXYDQCTG-MRGVZLDZSA-N 374.397 3.518 30 50 FHEA COc1ccc(CC/N=C(/O)N2CC[C@@H](C(F)(F)F)C2(C)C)c(OC)c1 330963703 MBWKKQMDGYCLIU-OAHLLOKOSA-N 374.403 3.823 30 50 FHEA C#CCCC1(CCC(=O)Nc2cnc(Cc3ccc(F)cc3)nc2)N=N1 2325892601 TXZLTPZMKPUOEQ-UHFFFAOYSA-N 351.385 3.501 30 50 FHEA O=C(O/N=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 4053402 VZURMTIDTCYLFJ-LDADJPATSA-N 359.407 3.838 30 50 FHEA CC12CN(Cc3ccccc3)CC(C)(CN(Cc3ccccc3)C1)C2=NO 4154660 NHTUUBFWQICOBQ-UHFFFAOYSA-N 363.505 3.861 30 50 FHEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccc(Cl)c(Cl)c1 4803594 FHGIXPCYUXHVBQ-UHFFFAOYSA-N 368.176 3.573 30 50 FHEA C[C@@H]1CCCN(CN2C(=O)/C(=N/Nc3ccccc3F)c3ccccc32)C1 36137567 QSCGUFNKDBSTRB-YWNOGDAOSA-N 366.440 3.678 30 50 FHEA C=CCn1cc(CN2CC(=O)Nc3ccccc3[C@H]2c2ccccc2)c(C)n1 63872393 IXDVMJLUYLVLSX-HSZRJFAPSA-N 372.472 3.921 30 50 FHEA Cc1ccc(-c2n[nH]cc2CNC2CCN(c3ccccc3C#N)CC2)o1 865697385 ZRVYBEFVMLUPPR-UHFFFAOYSA-N 361.449 3.608 30 50 FHEA N#Cc1cccc(-n2nc(C3CCCC3)nc2-c2cnc3[nH]cncc2-3)c1 2325862643 BASWHKGEXZUZIA-UHFFFAOYSA-N 355.405 3.686 30 50 FHEA C#CCO[S@@](=O)O[C@@H]1CCCC[C@H]1Oc1ccc(C(C)(C)C)cc1 9302309 ZYHMJXZULPZUED-GGUMNFRJSA-N 350.480 3.919 30 50 FHEA biogenic,in-vitro N#Cc1ccccc1S(=O)(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 333926517 VMEGTWJTIAOGHP-GOSISDBHSA-N 352.459 3.517 30 50 FHEA C=CCC[C@@H](C(=O)N[C@@H](C)CNC(=O)C(C)(C)CC=C)c1ccccc1 1875295464 YUQMTUAFSAAOOP-PKOBYXMFSA-N 356.510 3.960 30 50 FHEA Cc1ccc(N2CCN(/N=C\c3cccc(Br)c3)CC2)cc1 5052305 OLTQQYWABJDNSX-ZHZULCJRSA-N 358.283 3.914 30 50 FHEA Cc1cc(=NC(=O)NCC2CCC(C#N)CC2)[nH]n1-c1ccccc1Cl 331701218 VWDHQHBOVIDQSC-UHFFFAOYSA-N 371.872 3.708 30 50 FHEA COc1cc([N+](=O)[O-])cc(/C=N/c2ccc([N+](=O)[O-])c(Cl)c2)c1O 4825219 HKCNOJMFOBSRKA-FRKPEAEDSA-N 351.702 3.621 30 50 FHEA Cc1ccc(-c2cc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)[nH]n2)o1 91445238 DRMGRKQGTOKWFD-UHFFFAOYSA-N 360.417 3.676 30 50 FHEA Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1 100005149 SVBOYWVVBMKJDS-SHTZXODSSA-N 369.483 3.536 30 50 FHEA in-vitro N#Cc1c(NC(=S)NC(=O)/C=C/c2ccco2)sc2c1CCCC2 711411 SQEORZWQOMUTJT-BQYQJAHWSA-N 357.460 3.618 30 50 FHEA C=C(C)CN(CC)C(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1 12373387 XSTGRWOQCBDZMO-UHFFFAOYSA-N 374.525 3.985 30 50 FHEA CC[S@](=O)[C@@H]1CCC[C@H](/N=C(/O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 328611126 OFQONKKBMVUOLK-RFJPPAEDSA-N 368.930 3.779 30 50 FHEA CC1(C)CCc2ccccc2[C@@H]1NS(=O)(=O)Cc1cccc(C#N)c1 161790436 GJMWSOPRABNJCH-IBGZPJMESA-N 354.475 3.691 30 50 FHEA CC(C)(C)c1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1 1201030 ZCQYDGRCIZDWMV-DYTRJAOYSA-N 353.443 3.915 30 50 FHEA C=CCOc1c(Cl)cc(CN[C@@H](C)Cc2cnccn2)cc1OCC 55370887 RMBFTJNXZWHXNN-AWEZNQCLSA-N 361.873 3.814 30 50 FHEA N#Cc1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCN21 1386620 ZSXQPTYRVJDHED-QGZVFWFLSA-N 355.800 3.866 30 50 FHEA CN1CCN(c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)c2C#N)CC1 3104901 QFHHIFJRXZPZTA-UHFFFAOYSA-N 373.435 3.573 30 50 FHEA COC[C@H]1CCCCN1Cc1cccc(C(=O)Nc2sccc2C#N)c1 67726369 LNAVXNLHYHLXKT-GOSISDBHSA-N 369.490 3.873 30 50 FHEA C=C(C)CN1C(=O)[C@H](CC(=O)NC)S/C1=N/c1ccc(CCCC)cc1 1875263218 PABUGDWEDJMCRG-XGIGFIBQSA-N 373.522 3.673 30 50 FHEA COc1cc(OC)cc(C(=O)O/N=C2/CCCc3ccc(OC)cc32)c1 15745639 FWTGJMVGASLKOC-VZCXRCSSSA-N 355.390 3.610 30 50 FHEA C[Si](C)(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F 169816927 WKFQXKPGTKUDKE-UHFFFAOYSA-N 356.288 3.622 30 50 FHEA O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1 4311300 IFEJIKFCNQJTSJ-RQZCQDPDSA-N 359.798 3.678 30 50 FHEA COc1cc(Cl)cc(/C=N/n2c(SC)nnc2-c2ccccc2)c1O 1211014 DFHGLLPNLLHTEX-VXLYETTFSA-N 374.853 3.917 30 50 FHEA CCOc1cc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)ccc1O 1473682 PHJUCYZQAAZEOL-YBFXNURJSA-N 354.435 3.903 30 50 FHEA Cc1cccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)cc2Cl)c1 4690169 QUMFPJBZWKQYJQ-UHFFFAOYSA-N 367.232 3.739 30 50 FHEA CC1(C)OB(c2ccc(F)c(NC(=O)OCc3ccccc3)c2)OC1(C)C 169935888 NSRXSBHAUAOESX-UHFFFAOYSA-N 371.217 3.874 30 50 FHEA in-vitro N#Cc1cc2c(nc1N1CC=C(c3ccc4c(c3)OCCO4)CC1)CCC2 329134092 ZJPQVBKXZZDAOL-UHFFFAOYSA-N 359.429 3.507 30 50 FHEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)o1 4186994 PWJCHSLZWDNADW-XTDINYQCSA-N 366.417 3.819 30 50 FHEA Cc1csc(-c2cc(-c3cnc(NC(C)C)nc3)c(C#N)c(N)n2)c1 71416112 QZQKFGFFFDUDNF-UHFFFAOYSA-N 350.451 3.850 30 50 FHEA N#Cc1ccccc1-c1ccc(CN2CCN(C3CCSCC3)CC2)o1 216077877 MNDAFVOYDZHROD-UHFFFAOYSA-N 367.518 3.831 30 50 FHEA N#Cc1ccc(C(F)(F)F)c(N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 286418807 QVFJCMOTKKDXLZ-QWRGUYRKSA-N 352.278 3.574 30 50 FHEA N#C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2F)C1)c1ccc(Cl)cc1 464403682 KWRJUHHKYYPCEJ-PBHICJAKSA-N 357.816 3.686 30 50 FHEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)CCCc1nc(-c2ccncc2)no1 1615817398 PDQLRYYZQLETSS-RDJZCZTQSA-N 352.438 3.576 30 50 FHEA CC(C)(C)[C@@H](CC1CCCCC1)NCc1cc(O)n2ncc(C#N)c2n1 2325850423 YFIYPVUOVWLKFZ-QGZVFWFLSA-N 355.486 3.781 30 50 FHEA Cc1ccc([C@]23C[C@@H]2CN(c2cc(Br)cnc2C#N)C3)cc1 2325867011 HPQLNIPBAPLARV-RDTXWAMCSA-N 354.251 3.802 30 50 FHEA COc1ccccc1/C=C/C=N/n1c(S)nnc1COc1ccccc1 2332770 FLYVRNTWBAQBNY-MUBRZRMLSA-N 366.446 3.702 30 50 FHEA O=C(O)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 2577169 RTCRYAHHPWGUGD-FRKPEAEDSA-N 365.139 3.512 30 50 FHEA Cc1nc(C)c(/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)s1 328640091 XDGXRPQWWKOOFM-JTQLQIEISA-N 358.389 3.542 30 50 FHEA CCN(CC)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c2ccccc12 170005010 RVQVYGJTNDQGRU-UHFFFAOYSA-N 353.271 3.621 30 50 FHEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 17075369 JUBUOQQDZGAZED-ODLFYWEKSA-N 366.870 3.656 30 50 FHEA N#CC1(C#N)[C@@H](C2CCCCC2)O[C@H]2OC(=N)[C@@]1(C#N)C21CCCCC1 253471140 MJIDBELHJKTELC-SYNHAJSKSA-N 352.438 3.793 30 50 FHEA C#CCCC1(CCC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)N=N1 952881749 RBOOTOXSBUDQNK-UHFFFAOYSA-N 363.465 3.864 30 50 FHEA Cc1ccsc1[C@H]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@@H]1O 209956457 IJYJHGJVEQBBMZ-PMACEKPBSA-N 369.530 3.529 30 50 FHEA Cc1cccc(C(C)C)c1NC(=O)C(=O)[C@@H](C#N)c1ccc(CC#N)cc1 5711307 AAORHZIFJAUAMD-IBGZPJMESA-N 359.429 3.999 30 50 FHEA COc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1 18114086 GADWVPGOKJLMRO-UHFFFAOYSA-N 363.442 3.535 30 50 FHEA COc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc(Cl)cc3)NC2=O)cc1 6181918 QPGRONRDWXHVGJ-YODDIOPGSA-N 373.865 3.513 30 50 FHEA CCC[C@H](C)c1cc(NS(=O)(=O)c2cccc(Cl)c2C#N)[nH]n1 159883239 FIGJMFFSRILFOY-JTQLQIEISA-N 352.847 3.639 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)N=N1 2325892391 LMRFKXSKRGKYQZ-UHFFFAOYSA-N 366.465 3.915 30 50 FHEA COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] 1111591 NMNDTKBWKJIPJS-JTQLQIEISA-N 371.418 3.914 30 50 FHEA COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 4914491 CNGDWXXYKYMNOX-WMLDXEAASA-N 365.404 3.839 30 50 FHEA OC(CN1C=C/C(=C2/C=CC=[S+]2)N=C1)=Nc1cccc(C(F)(F)F)c1 328579857 DZHQTMFTEOPMQV-CCEZHUSRSA-O 364.372 3.817 30 50 FHEA COc1cc(/C=N/Nc2nc(C)nc3sc4c(c23)CCC4)ccc1O 4931356 UVMYTSNHJNVKGQ-DJKKODMXSA-N 354.435 3.649 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccnc1 6729773 MCWDIMMZQIAXIK-UHFFFAOYSA-N 365.462 3.565 30 50 FHEA Cc1[nH]c2ccc(C#N)cc2c1CCNc1cc(C2CCN(C)CC2)ncn1 67805353 QWJYUGXMIIFLCO-UHFFFAOYSA-N 374.492 3.602 30 50 FHEA Cc1cc(C#N)ccc1-c1cccc(C(=O)N(C)CCCc2nccn2C)c1 299765311 MAJMSSFJIOWHDJ-UHFFFAOYSA-N 372.472 3.972 30 50 FHEA CN(C)c1ccc(/C=N/c2nnc(-c3ccc4c(c3)OCO4)s2)cc1 712138 FJOLYGUXRNNOSH-VXLYETTFSA-N 352.419 3.750 30 50 FHEA C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 1166602 UPQDSTMXDAODSY-GDNBJRDFSA-N 354.343 3.524 30 50 FHEA Fc1cccc(Oc2ncccc2CN=C2NC[C@H](c3ccccc3)N2)c1 2325878639 WRIWRNCCEBYDKF-LJQANCHMSA-N 362.408 3.803 30 50 FHEA C#CCCC1(CCC(=O)NCC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)N=N1 2325886380 UHDHWGYZEGQANP-QUCCMNQESA-N 366.509 3.759 30 50 FHEA COc1ccccc1/C=N/n1c(C)nc2sc3c(c2c1=O)CCCC3 4949083 QKMKBPKAQTVQFN-RGVLZGJSSA-N 353.447 3.536 30 50 FHEA Cc1cn(CCn2cnc(-c3ccccc3)c2-c2ccc(C#N)cc2)nn1 65410133 OAPIWVHFYSEARE-UHFFFAOYSA-N 354.417 3.689 30 50 FHEA in-vitro N#Cc1cccc(-c2nccn2[C@H](CCn2cncn2)c2ccccc2)c1 71749871 GEUFQCDQPMIETP-HXUWFJFHSA-N 354.417 3.693 30 50 FHEA COc1ccc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1C#N 127406395 JIBBSIOECBNSDU-LJQANCHMSA-N 374.387 3.742 30 50 FHEA C=C[C@@H](C)ONC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 952893889 OJGSQNOJVPGUIB-CQSZACIVSA-N 372.444 3.611 30 50 FHEA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 19315043 SOUNQKFVLZJKJG-IBGZPJMESA-N 355.434 3.615 30 50 FHEA Cc1cc(N2CCN(c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 19807835 XXEYDWQRVNODFO-UHFFFAOYSA-N 367.456 3.994 30 50 FHEA COc1ccc(/C=N/N2CCOCC2)cc1COc1ccc(Cl)cc1 1205967 HXFBAUIAPYECJG-FYJGNVAPSA-N 360.841 3.594 30 50 FHEA Cc1nc(N/N=C/c2ccccc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 4421872 ALXNYSQQGUBFOT-DEDYPNTBSA-N 362.393 3.907 30 50 FHEA COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccc([N+](=O)[O-])cc1 15800150 YVVJADWXBOPZND-LVZFUZTISA-N 354.362 3.809 30 50 FHEA C=CCOc1ccccc1CN(CC)C(=O)Cc1ccc2c(c1)OCO2 55415115 CFFJMCVURHDJRB-UHFFFAOYSA-N 353.418 3.571 30 50 FHEA CCc1nccn1[C@@H]1CCCN(/C(O)=N/[C@H]([C@H](C)CC)C(F)(F)F)C1 331316799 FXAWWDMXTZJXPG-UMVBOHGHSA-N 360.424 3.973 30 50 FHEA C#CCCC1(CCC(=O)N2CC(C)(C)[C@@H]2c2nccn2CC2CC2)N=N1 952881471 OKLZQMXHTULQEV-KRWDZBQOSA-N 353.470 3.558 30 50 FHEA CC1(C)CN(c2ccnc(C#N)n2)[C@@H]1c1nccn1-c1cccc(Cl)c1 952891890 ACBNUESDQKAVQI-QGZVFWFLSA-N 364.840 3.775 30 50 FHEA N#Cc1cnc2cnccc2c1N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 2325776805 BBCVPASPXXTDHU-ROUUACIJSA-N 356.429 3.520 30 50 FHEA Cn1c([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 2531025 YUUXBOGKYUNAHL-GFCCVEGCSA-N 354.753 3.625 30 50 FHEA C=CCSc1nc2sc3c(c2c(=O)[nH]1)CCN(Cc1ccccc1)C3 22034200 IJRMJWOMJFOCAJ-UHFFFAOYSA-N 369.515 3.821 30 50 FHEA C#CCOc1ccc(Cl)cc1C(=O)/N=C(\N)NC1CCCCCCC1 71775210 VPWQCZCMPYUPEC-UHFFFAOYSA-N 361.873 3.509 30 50 FHEA CCN(CC)c1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)c(O)c1 1242002 PKFGLMQBRQQHGS-WOJGMQOQSA-N 357.439 3.635 30 50 FHEA C/C(=N/N1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 19771886 HZYPLSBPUQVTDH-PGMHBOJBSA-N 372.310 3.991 30 50 FHEA O=[N+]([O-])c1cccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1 19773228 LRKAQOSFONNHQK-XQNSMLJCSA-N 374.444 3.900 30 50 FHEA CCCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)[C@H](C(=O)OC)C1=O 1234024 SLQTYJXRAVEUFO-SFHVURJKSA-N 373.449 3.519 30 50 FHEA COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 4914512 RZLMPRHWZONEBB-MAUKXSAKSA-N 365.404 3.839 30 50 FHEA CCc1nn(C)c(Cl)c1-c1cc(-c2scnc2C)nc(N)c1C#N 71760289 NTMRPZVKQPBEND-UHFFFAOYSA-N 358.858 3.584 30 50 FHEA CC(=O)C1=C(NCCc2nc3ccccc3[nH]2)C[C@H](c2ccccc2)CC1=O 100168925 XVMZPMXVDFFJTJ-KRWDZBQOSA-N 373.456 3.685 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)N[C@H](CC(C)(C)C)c2cccnc2)o1 828166507 SWGLIPAVCNZYKX-QGZVFWFLSA-N 354.450 3.704 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](C)c2nnc(-c3ccccc3F)s2)N=N1 1875382373 ZEFTUHLMULDFIR-GFCCVEGCSA-N 371.441 3.877 30 50 FHEA C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CB1OC(C)(C)C(C)(C)O1 1772715792 PUMCVEMPABFXIP-STQMWFEESA-N 355.284 3.839 30 50 FHEA Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)S2)c1 18009793 NDWJTMRJQVFWIE-SXGWCWSVSA-N 369.402 3.809 30 50 FHEA CCOc1cc(/C=C2\N=C(SCC)SC2=O)ccc1OC(C)=O 4351334 RMGRZJOQIVGTHQ-WQLSENKSSA-N 351.449 3.734 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 4906905 LCNHMTWIHYLEKA-AZUAARDMSA-N 365.385 3.914 30 50 FHEA aggregator CC(C)COc1cccc(/C(O)=N/CCCc2nc3cccnc3[nH]2)c1 328591564 MBLVRJSVRLXESR-UHFFFAOYSA-N 352.438 3.930 30 50 FHEA C[C@H](N=c1ccc(C(F)(F)F)c(C#N)[nH]1)c1noc(Cc2ccccc2)n1 409717289 PUWTYDPYIIINJE-NSHDSACASA-N 373.338 3.541 30 50 FHEA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(C#CC(C)(C)O)cc1 952975169 CIHFJHYEUDPNQL-UHFFFAOYSA-N 358.441 3.629 30 50 FHEA O=C(/C=C/C=C/c1ccccc1)C[C@]1(O)C(=O)Nc2ccc(Cl)cc21 3004017 FVXMSCCPIYINBQ-DXVALISGSA-N 353.805 3.709 30 50 FHEA CC#CCN(Cc1ccco1)C(=O)CCc1nnc(-c2ccc(C)s2)o1 11661492 WOYJHIUNAAKBEI-UHFFFAOYSA-N 369.446 3.684 30 50 FHEA Cc1ccccc1-c1ncc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)cn1 71764404 OQNSVKUAMJLKDB-UHFFFAOYSA-N 352.401 3.963 30 50 FHEA O/C(=N/[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@H]1CCn2ccnc2C1 329354169 VGVNWOZUUXKNPX-WMLDXEAASA-N 353.470 3.791 30 50 FHEA CCn1ncc2ccc(N=C(O)N3CCO[C@H](C4CCCCC4)C3)cc21 329468597 WZIIANWHRLJLAO-IBGZPJMESA-N 356.470 3.883 30 50 FHEA C=CCN1C[C@@H](C(=O)N(Cc2ccccc2)CC2CCCCC2)CC1=O 820474891 WRFDMTNUFCQPDH-FQEVSTJZSA-N 354.494 3.630 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(Cc3nnc4ccccn34)cc2)N=N1 2325892534 QVJPBOYFWYTGCC-UHFFFAOYSA-N 372.432 3.614 30 50 FHEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C2=C(CCCC2=O)N1 19790648 ZLDPZPCLUAMEJE-NRFANRHFSA-N 363.413 3.991 30 50 FHEA CCn1nc(C)c(-c2cc(-c3ccc(NC(C)=O)cc3)c(C#N)c(N)n2)c1C 71765497 UTRCORQQZAOZHC-UHFFFAOYSA-N 374.448 3.661 30 50 FHEA N#Cc1c(N)nc2c(c1-c1cc(F)cc(F)c1)CN(Cc1ccco1)CC2 72143956 XZMNNNBIVCLYTG-UHFFFAOYSA-N 366.371 3.632 30 50 FHEA C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nnc1-c1ccc(C)cc1 122480355 GERPQDQCQJASDY-KRWDZBQOSA-N 364.474 3.758 30 50 FHEA C#CCOc1cccc(-c2noc([C@@H](C)n3ccc(C(F)(F)F)n3)n2)c1 1875331513 KWGIEAQGSBWYGB-LLVKDONJSA-N 362.311 3.573 30 50 FHEA C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 2338207 ICCTZJXFYUCIOA-QGZVFWFLSA-N 361.445 3.617 30 50 FHEA CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 208353396 AGNYKMUEHDACGW-UHFFFAOYSA-N 359.275 3.674 30 50 FHEA C=CCc1cc(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)ccc1OC(C)C 1616073172 MBEQFLHXVIBFCB-UNMCSNQZSA-N 366.505 3.633 30 50 FHEA O=C(Nc1cccc(Br)c1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@@H]3[C@@H]12 254518140 XNPGYHSGWLDFRE-VBSDVHFUSA-N 364.239 3.810 30 50 FHEA COc1ccc(-c2nc(C#N)c(NC[C@@H]3CCCN4CCCC[C@@H]34)o2)cc1 1857799499 GUOQTOTZQQIKLM-LPHOPBHVSA-N 366.465 3.898 30 50 FHEA N#Cc1ccccc1COc1ccc(C(=O)N2Cc3ccncc3C2)cc1 1449139051 QUDOAMABEJLTBM-UHFFFAOYSA-N 355.397 3.688 30 50 FHEA Cc1ccc(S(=O)(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 1182475 ZBVFPIZLWPNZRY-DEDYPNTBSA-N 373.865 3.752 30 50 FHEA Cc1cc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccccc3)NC2=O)c(C)c1 13898511 CZKOHZHJSJDSFQ-MRXNPFEDSA-N 367.474 3.860 30 50 FHEA Cn1ncc2c1C[C@@H](C(=O)Nc1sc(-c3ccccc3)cc1C#N)CC2 281847072 LXXISKRKOQWNSD-AWEZNQCLSA-N 362.458 3.764 30 50 FHEA COc1ccc(-c2nc(-c3ccccc3)nc(N3CCOCC3)c2C#N)cc1 3041131 LEQUDLVARYSTGX-UHFFFAOYSA-N 372.428 3.527 30 50 FHEA O=C(C/N=C(/O)NC1CCCCC1)N1CCC[C@@H]1/C=C/c1ccccc1 329346925 ROJGYJBWGYWUAD-JKIKYLSZSA-N 355.482 3.527 30 50 FHEA S/C(=N\CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 82124368 MQHZEXQCGDCGES-KPKJPENVSA-N 365.546 3.846 30 50 FHEA C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1cccc(C#N)c1 170645019 KIXAKDDDIWQURG-BFUOFWGJSA-N 371.387 3.681 30 50 FHEA C=CCS(=O)(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12718514 DGWHIPQFMSHOQB-FQEVSTJZSA-N 369.486 3.764 30 50 FHEA COc1ccccc1N1CCN(/N=C\c2ccc(Br)cc2)CC1 4561295 MZAXUFIVNZTRGL-ZHZULCJRSA-N 374.282 3.614 30 50 FHEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2OC)c1 5900816 UFBKZNGGIKFNCR-XDHOZWIPSA-N 354.435 3.897 30 50 FHEA Cc1cc(-c2cccc(C(=O)NCc3nccn3C(C)C)c2)nc(C)c1C#N 584893038 HELWIESNSWUMFZ-UHFFFAOYSA-N 373.460 3.945 30 50 FHEA N#Cc1ccc(O)c(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)c1 2325867231 PANZWOQGXPSBQZ-UHFFFAOYSA-N 353.381 3.720 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)N=N1 2325892578 SHADPNXRLMMBNB-UHFFFAOYSA-N 367.497 3.511 30 50 FHEA CN1CCC(n2ccc(=N/C(O)=N/[C@H](c3ccccc3)C(C)(C)C)[nH]2)CC1 330218466 ORXYIUUFINKXJZ-LJQANCHMSA-N 369.513 3.685 30 50 FHEA Cc1nc(C)c(Cl)c(OCC#CI)c1Cl 5297371 INRKEEAFMHKKKB-UHFFFAOYSA-N 355.990 3.780 30 50 FHEA CCOc1cc(C#N)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC 1075565 IDCKPNYLJNNUMA-UHFFFAOYSA-N 369.377 3.825 30 50 FHEA CC(C)(/C(O)=N/[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc2c(c1)OCO2 328896224 BXHGJRYIXBOMGH-BMGDILEWSA-N 357.450 3.997 30 50 FHEA N#C[C@H](c1ccccc1)C1CCN(C(=O)c2ncnc3ccsc23)CC1 1875297501 TZJLFBOXPGEEQM-MRXNPFEDSA-N 362.458 3.851 30 50 FHEA Cc1c(C(=O)NC2CC(CC#N)C2)cnn1-c1ccc(C(F)(F)F)cc1 1875308375 CLLYABHGUHAHLU-UHFFFAOYSA-N 362.355 3.622 30 50 FHEA FC(F)(F)c1ccccc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 4474842 NMLRDCXDUQVPEO-ZVBGSRNCSA-N 356.311 3.971 30 50 FHEA N#Cc1cc2c([nH]c1=O)C[C@@H](c1ccccc1)C/C2=N\Nc1ccccc1 4946090 GONOHECGOFQDGW-WTFZZRLTSA-N 354.413 3.793 30 50 FHEA COc1ccc(-c2cc(-c3cnc(-c4ccco4)nc3)c(C#N)c(N)n2)cc1 67788803 YZKHFPXRPUUFAU-UHFFFAOYSA-N 369.384 3.928 30 50 FHEA CN1CC2(CCN(Cc3ccccc3C#N)CC2)C[C@@H](c2ccccc2)C1=O 91551826 JSBAHCRSTRQENI-QFIPXVFZSA-N 373.500 3.786 30 50 FHEA N#CC1(c2ccccc2)CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 97823638 DGAQCMSGBSRCAI-UHFFFAOYSA-N 356.429 3.774 30 50 FHEA Cc1cc(-n2c(C)cc(C=NO)c2C)ccc1I 252320704 NWWSKVHXCQFWDM-UHFFFAOYSA-N 354.191 3.815 30 50 FHEA CN1CC[C@H](/N=C(/O)[C@@H]2COc3ccccc3O2)[C@H]1c1ccc(F)c(F)c1 328962368 QQHJUMOVPNACFK-ZYSHUDEJSA-N 374.387 3.507 30 50 FHEA Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc(C#N)c1 2861205 GZVBRRJWRBMJPQ-UHFFFAOYSA-N 359.223 3.955 30 50 FHEA O=C(/C=C/c1cccs1)c1cc(F)ccc1OC(=O)N1CCOCC1 4279018 MZTQKPJBNHGVFA-SNAWJCMRSA-N 361.394 3.614 30 50 FHEA CCCOc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1 5094620 HFRWCBCYYNZQLX-SXZORUHJSA-N 367.474 3.640 30 50 FHEA CN(C)c1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1 5809975 MVOSBXFNGZBZLU-YBFXNURJSA-N 357.870 3.835 30 50 FHEA CSc1nnc(C(F)F)n1/N=C/c1c[nH]nc1-c1ccc(Cl)cc1 6413084 OZJZNIAQLRPDKZ-FBCYGCLPSA-N 368.800 3.863 30 50 FHEA C=C(C)CNC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12387443 FOJRBOIRPNNSEG-UHFFFAOYSA-N 372.509 3.787 30 50 FHEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc21 20604621 GMJYNXMLEQQOLV-UHFFFAOYSA-N 353.325 3.919 30 50 FHEA COc1cccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)c1OC 1473701 LWTOEHYQGJDDHA-YBFXNURJSA-N 354.435 3.816 30 50 FHEA Fc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1N1CCOCC1 3149099 AEKLCMYLMRBJJD-UHFFFAOYSA-N 353.184 3.978 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1OC 5428924 HPBOHKPQYVWKLI-UHFFFAOYSA-N 364.405 3.965 30 50 FHEA CN(Cc1cc(C2CC2)on1)C(=O)CC1=C(c2ccccc2)CCC1=O 299755776 DMSGUYYLPOLOQT-UHFFFAOYSA-N 350.418 3.717 30 50 FHEA OC[C@H](CN1CCCC1)/N=C(/O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 328591760 FZMCGEICFLFJND-NWANDNLSSA-N 357.281 3.510 30 50 FHEA C=CCOCC(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 729649846 GAHAZNKPTCVOCE-HNNXBMFYSA-N 355.221 3.677 30 50 FHEA C#CCCC1(CCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)N=N1 2325892298 IEXAEVBUBATFHD-AWEZNQCLSA-N 359.499 3.669 30 50 FHEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccn3)CC2)c1 795587 MJMOHJSPVSETBC-UHFFFAOYSA-N 364.493 3.882 30 50 FHEA aggregator CC1(C)CC(=O)c2c(nc(S)c(C#N)c2-c2ccccc2[N+](=O)[O-])C1 1216044 VYWIQJVEZYDHDQ-UHFFFAOYSA-N 353.403 3.972 30 50 FHEA C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccnc1 2385659 CNVOWTTXFWIEGF-UHFFFAOYSA-N 365.462 3.565 30 50 FHEA COc1ccc(/C(C)=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 25329216 ILIKQSRJWVVDMW-CJLVFECKSA-N 357.885 3.890 30 50 FHEA N#CC1(c2ccc(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)cc2)CCCC1 534577705 IRHSIICWRNLKEA-OAQYLSRUSA-N 360.457 3.896 30 50 FHEA C=CCOc1c(CC=C)cc(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1OCC 1857683879 PKUMJHWUSBHKIT-ACDBMABISA-N 357.494 3.581 30 50 FHEA C(=N/OCc1nc2c3c4c(sc3ncn2n1)CCCC4)\c1ccccc1 2296131 SWATWNGCHDFLQY-UFFVCSGVSA-N 363.446 3.769 30 50 FHEA C=CCc1ccc(OCCCn2cnc3ccccc3c2=O)c(OC)c1 2863273 MTZCACOBRKEIFL-UHFFFAOYSA-N 350.418 3.603 30 50 FHEA C=CCn1c(CN(C)Cc2ccccc2O)nnc1SCC(=C)Cl 14990183 OKDJXLXUWDIQFG-UHFFFAOYSA-N 364.902 3.646 30 50 FHEA CCN1CC2(CCN(c3cccc(C#N)n3)CC2)C[C@@H](c2ccccc2)C1=O 91444812 LIJBOQOMRHNGAD-FQEVSTJZSA-N 374.488 3.576 30 50 FHEA Cc1nc(NC(=O)c2cnc([C@H]3CCCO3)s2)sc1SCC#N 119530242 AZMKMZZCMNIXKM-SECBINFHSA-N 366.493 3.628 30 50 FHEA CC(=O)N(C1=C(N(C)C)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 4725342 PECHKPCPPOFUDW-UHFFFAOYSA-N 368.820 3.545 30 50 FHEA C=CCNc1ccccc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 55413448 XKLMNYWOBHIDAY-SFHVURJKSA-N 351.450 3.501 30 50 FHEA COc1cc(OC)c(-c2cc(-c3cccs3)nc(N)c2C#N)cc1OC 67677552 CIZHDSHKRXREHD-UHFFFAOYSA-N 367.430 3.957 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C2\C[C@@]34CCCC[C@@]35C[C@H]2O[C@@H]5C4)c([N+](=O)[O-])c1 216367874 HNFGDJSRIPJISB-VRECLOGGSA-N 372.381 3.783 30 50 FHEA C#Cc1cccc(N(CC)C(=O)c2cnc(OCc3ccccc3)cn2)c1 758281867 FBIVSHNWBCLHGD-UHFFFAOYSA-N 357.413 3.704 30 50 FHEA CC(C)C#CC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952892665 IOYSWDQSHNOUFF-UHFFFAOYSA-N 351.425 3.648 30 50 FHEA COC(=O)c1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1 6003857 GHCHJQUPNDMORP-VXLYETTFSA-N 372.837 3.930 30 50 FHEA C#CCOc1ccc(/C=C2\N=C(/C=C/c3ccccc3)OC2=O)cc1OC 22298706 STHSOGPQFSGCGR-ZOCPVQLTSA-N 359.381 3.717 30 50 FHEA CN(C)C(=O)O[C@@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 33815024 TYYVMWTWMVOKBB-FPOVZHCZSA-N 351.402 3.749 30 50 FHEA COc1cc(Cl)cc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c1OC 71681186 KUUSGBAXBFPRQI-UHFFFAOYSA-N 354.797 3.868 30 50 FHEA COc1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1 238997384 AFDKAGABVFBRLL-UHFFFAOYSA-N 359.857 3.513 30 50 FHEA N#Cc1ccc(-c2cccnc2)nc1SCC(=O)OCc1ccccc1 1125967 SZWYSORDRJFUFW-UHFFFAOYSA-N 361.426 3.851 30 50 FHEA CC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccc(Cl)cc1Cl 2183197 MWFDJTXYEXDALQ-UHFFFAOYSA-N 352.225 3.636 30 50 FHEA N#Cc1ccc(NC(=O)N2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1 55284889 CHXHKOBSSHRTQW-UHFFFAOYSA-N 372.432 3.686 30 50 FHEA Cc1ncsc1CCN(C)[C@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95501465 BBCDSKCWDPHJAT-KRWDZBQOSA-N 357.479 3.553 30 50 FHEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2csc3ccccc23)C1 328622036 AXEYBKWFRMIQJF-UHFFFAOYSA-N 358.463 3.534 30 50 FHEA COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1OC(C)C 4488919 SIGDUXUNSUGWJQ-AWEZNQCLSA-N 357.450 3.729 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](C)Oc1ccccc1 7759366 OHSSEQUWWOZFDX-INIZCTEOSA-N 363.417 3.719 30 50 FHEA C=C(C)CN1CCN(c2c(CC)c(C)c(C#N)c3nc4ccccc4n23)CC1 52683508 HRLJCXGZQHBZTQ-UHFFFAOYSA-N 373.504 3.928 30 50 FHEA CN1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 95507358 SQOVOUXOQLFGQI-NRFANRHFSA-N 359.473 3.652 30 50 FHEA C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc2c(c1)CCC(=O)N2 285758485 SCPYSTSFZAZTSC-MRXNPFEDSA-N 374.488 3.763 30 50 FHEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)N=N1 952879159 AOEACDIGGPWYOQ-GOSISDBHSA-N 363.465 3.983 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)N=N1 2325892368 KYVVYKDJGVNHKW-UHFFFAOYSA-N 365.437 3.718 30 50 FHEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N(C)CCCC)C2 14543200 FPSHIHNQQGRZKH-GOSISDBHSA-N 372.557 3.675 30 50 FHEA Cc1nn(-c2ccccc2)c(C)c1C=Nn1c(S)nnc1-c1ccccc1 33317754 OVKQCESWTWXCJU-UHFFFAOYSA-N 374.473 3.919 30 50 FHEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl 4906477 RPMUGDOAZFFYQX-QGZVFWFLSA-N 371.820 3.565 30 50 FHEA COc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C#N)C3)cn2)c1 96180871 VPBQOSQYJWAMTA-CQSZACIVSA-N 352.394 3.650 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc([C@@H](O)CC(F)(F)F)c2)N=N1 1875368556 ABWGGCPZUBHOCJ-AWEZNQCLSA-N 353.344 3.967 30 50 FHEA COc1cc(/C=C\C(=O)c2cccnc2)ccc1OCCN1CCCCC1 4566686 KJZPYOXCKJLCIH-CLFYSBASSA-N 366.461 3.851 30 50 FHEA N#CCCC[C@H](NC(=O)C[C@H]1Cc2ccccc2NC1=O)c1ccccc1 2325780815 RGVWHDDCUAPOTP-MOPGFXCFSA-N 361.445 3.739 30 50 FHEA CCOc1cc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)ccc1O 1473715 HSZJUIKSZCWQCN-VXLYETTFSA-N 374.853 3.874 30 50 FHEA CC1=C(C(=O)OC(C)C)[C@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1 13285520 VFYGBBGWINROOO-IBGZPJMESA-N 354.450 3.637 30 50 FHEA COc1ccc(OC)c(C=NN2CCN(c3ccc(Cl)cc3)CC2)c1 245238256 HPKFKJZMHQCMNS-UHFFFAOYSA-N 359.857 3.513 30 50 FHEA Cc1cccc2c1c(-c1ccc(C(=O)N3CCC[C@@H](C#N)C3)cc1)nn2C 534578498 KZUGUFUNXWJOMI-INIZCTEOSA-N 358.445 3.925 30 50 FHEA COc1ccc2[nH]c(CNC(=O)CC3=C(c4ccccc4)CCC3=O)cc2c1 670470277 LRCVFZYJWNPNKT-UHFFFAOYSA-N 374.440 4.000 30 50 FHEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(F)c(Br)c1 4912448 NMVJTZIHYXNANJ-JTQLQIEISA-N 366.230 3.835 30 50 FHEA Cc1nc(/N=C(N)/N=C(\S)Nc2ccc(Cl)cc2)nc2ccccc12 19859360 TUVBARSESKUNDM-UHFFFAOYSA-N 370.869 3.936 30 50 FHEA Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCc3ccco3)nc12 2675021 ZPYWZIVVBOJDQE-HZHRSRAPSA-N 372.428 3.827 30 50 FHEA O/C(CCn1ccnn1)=N/C1(c2noc(C3CCCC3)n2)CCCCCC1 328746848 OWPXOYCOKOEGIL-UHFFFAOYSA-N 372.473 3.915 30 50 FHEA C#CCCC1(CCC(=O)N2CCC(c3nc4c(s3)CCC4)CC2)N=N1 2325886387 UZHJRYFRRBGKSA-UHFFFAOYSA-N 356.495 3.694 30 50 FHEA CCCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 4488921 RKIMGIDJDPXHCG-AWEZNQCLSA-N 357.450 3.731 30 50 FHEA CCOc1ccc([C@@H]2C[C@H]2/N=C(/O)[C@H]2COCCN2C2CCCC2)cc1 329351642 UFVQFSJNDUILPK-XUVXKRRUSA-N 358.482 3.541 30 50 FHEA CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](O)C1 1441085710 FFBQCSLVCPCUQY-IRXDYDNUSA-N 370.534 3.614 30 50 FHEA C=CCOc1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCCC3)C2)c1 12701838 FPAJCNRYYYUGGX-SFHVURJKSA-N 370.493 3.506 30 50 FHEA COc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)c(Cl)c2)cc1 4977895 OUQXSCOHDQGZDV-UHFFFAOYSA-N 353.205 3.674 30 50 FHEA C=CCN(CC=C)CCOc1ccc(C)cc1I 20272373 GBMOAVZJFPAARO-UHFFFAOYSA-N 357.235 3.652 30 50 FHEA N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 286418805 QVFJCMOTKKDXLZ-GHMZBOCLSA-N 352.278 3.574 30 50 FHEA COc1cc(C2(F)CN(C(=O)[C@H]3C[C@H]3c3ccc(C#N)cc3)C2)ccc1F 1875404384 HKWYEGQSGJUEAL-IRXDYDNUSA-N 368.383 3.517 30 50 FHEA CC(C)Oc1ccc(CNC(=S)N/N=C/[C@H]2CCOC(C)(C)C2)cc1 813291 RGWAEESOBGSMSO-REIAIGDLSA-N 363.527 3.629 30 50 FHEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)o1 4187006 PWJCHSLZWDNADW-RDBACFOTSA-N 366.417 3.819 30 50 FHEA O/C(=N/CC1(N2CCCC2)CCOCC1)c1scnc1C1CCCC1 329517006 MYMQJFWLASUNEJ-UHFFFAOYSA-N 363.527 3.750 30 50 FHEA O/C(=N/[C@@H]1CCc2nc[nH]c2C1)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 329788242 RRWFSHCFVREFBK-WUHRBBMRSA-N 357.483 3.653 30 50 FHEA CC(C)CCN1CCC2(CC1)CCN(C(=O)c1ccc(C#N)cc1)CC2 72153867 GEWPXFVKCRFOGO-UHFFFAOYSA-N 353.510 3.923 30 50 FHEA C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1cccnc1 19771352 SJQPACGPLUYNPU-NCELDCMTSA-N 356.473 3.823 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccncc1 4726891 RUVKUQSYYJCJBD-UTKZUKDTSA-N 374.440 3.616 30 50 FHEA N#Cc1cnc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)c(Cl)c1 334016864 ZQWGVXBIPMZPBL-SFHVURJKSA-N 367.836 3.601 30 50 FHEA COc1ccc(-c2cc(-c3cccs3)c(C#N)c(N)n2)c(OC)c1OC 67770711 VBLNACSRTZAPJC-UHFFFAOYSA-N 367.430 3.957 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1Cl 25695116 BZNSFPDNCWWZTI-KRWDZBQOSA-N 374.868 3.902 30 50 FHEA COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 4915979 MTQALQBWUDTCSZ-DZGCQCFKSA-N 353.443 3.761 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)N=N1 952880569 GRIZKNIQKZLGCV-HZPDHXFCSA-N 354.454 3.594 30 50 FHEA Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1F 15723909 NVBHYZCYILVQNY-FBHDLOMBSA-N 353.357 3.982 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(C(F)(F)F)c1 19811248 UWEOANXIMPFBMC-INIZCTEOSA-N 365.351 3.846 30 50 FHEA COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2F)C[C@H]1c1ccccc1 1440876 DKJPKGHUDWMGTE-HNAYVOBHSA-N 357.356 3.806 30 50 FHEA COc1c(O)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Br 6180399 JCSKRUGFWVRBOU-LZYBPNLTSA-N 366.171 3.518 30 50 FHEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 6813174 FETPHJXQGCNRQX-LJQANCHMSA-N 365.429 3.528 30 50 FHEA C=CCN(c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1)S(C)(=O)=O 1076336 XYSHBGWXCSUDFP-UHFFFAOYSA-N 358.463 3.508 30 50 FHEA CCOc1cc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)ccc1O 2238261 QMGYSGGJWGSNLC-YBFXNURJSA-N 370.434 3.603 30 50 FHEA N#Cc1cccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c1 72408985 ZXTJPEXKADCEAH-QNWVGRARSA-N 360.457 3.851 30 50 FHEA Cc1noc([C@H](C)/N=C(/O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)n1 330159012 QNTDSQXLZFFWDR-SWLSCSKDSA-N 356.426 3.779 30 50 FHEA CCOC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@@H]1C/C=N/O 71786526 RSZALTHHHIVRCG-NACQFLKVSA-N 363.498 3.930 30 50 FHEA CCc1csc(CCNC(=O)N2CCC(C#N)(c3ccccc3)CC2)n1 426668504 WVXLGZGNULOFDA-UHFFFAOYSA-N 368.506 3.515 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1Cc1ccccc1 635040 ZIEBGJKZJHOSJW-INIZCTEOSA-N 353.462 3.929 30 50 FHEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 19315126 TWBJQPAPCOXILT-IBGZPJMESA-N 368.477 3.674 30 50 FHEA C#CCCC1(CCNC(=O)c2ccc(Nc3nccs3)cc2F)N=N1 2325891357 BDUGMMQLPGAORA-UHFFFAOYSA-N 357.414 3.721 30 50 FHEA C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 20171699 QNFHCWXWQLNHQX-RCCKNPSSSA-N 372.856 3.790 30 50 FHEA CC#CC[C@@H](C)C(=O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@@H]2C[C@H]1O 64859018 LDICATDQJSBQOX-LSGSYHOHSA-N 358.478 3.750 30 50 FHEA in-vitro CN1[C@H]2CC[C@H]1CN(C(=O)NCc1ccc(-c3ccccc3C#N)cc1)CC2 246003494 JKBNURCHSXIPIZ-SFTDATJTSA-N 374.488 3.603 30 50 FHEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/Cc1ccoc1 328605465 NVVARSOIWPVCCE-KXBFYZLASA-N 367.405 3.708 30 50 FHEA CC(C)c1ccc(C#N)c(N2CCC[C@H]2c2nc(-c3ccccn3)no2)n1 1529159015 MIECJCWXDXEERC-KRWDZBQOSA-N 360.421 3.863 30 50 FHEA CC[C@@H]1CCc2c(sc(NC(=O)CSc3ncccn3)c2C#N)C1 6489402 KPLUCSNYHYCLQG-LLVKDONJSA-N 358.492 3.655 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 19534974 UEGHFMPNCMSKHD-LJQANCHMSA-N 369.461 3.862 30 50 FHEA Cc1ccc(CN2CCN(/N=C\c3ccc(Br)cc3)CC2)cc1 19773303 DOBMPKOUCYKHDT-STZFKDTASA-N 372.310 3.909 30 50 FHEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCC(CCN3CCCC3=O)CC1)C2 102335837 AITMRQKPQGGRRH-PGRDOPGGSA-N 358.526 3.620 30 50 FHEA O=C(O)CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)COc1ccccc1 27639098 CARGFWOXPNIAKB-AVZZWIIXSA-N 370.445 3.555 30 50 FHEA in-vitro C=C(C)COc1c(OC)cccc1-c1c(C#N)c(N)nc2c1CO[C@@H]2C 71575326 PLKMLKZURSWDQB-GFCCVEGCSA-N 351.406 3.757 30 50 FHEA N#CC1(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1 286548734 ZLBUQSOMLOBNRM-HNNXBMFYSA-N 366.383 3.732 30 50 FHEA COc1cccc(/N=C(\O)c2nc[nH]c2/C(O)=N/c2ccccc2C)c1 6460003 JQXLYXJNPQTMGG-UHFFFAOYSA-N 350.378 3.999 30 50 FHEA Cc1nc(O)cc(C2CCN(c3nc4ccccc4c(C)c3C#N)CC2)n1 1857673616 WSRJMUXLMRXFMR-UHFFFAOYSA-N 359.433 3.603 30 50 FHEA C=CCc1cccc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)c1O 2222684 FDEFZVAPAWNBCX-UDWIEESQSA-N 366.446 3.933 30 50 FHEA N#C[C@@H](c1ccccc1)C1CCN(C(=O)c2ncnc3ccsc23)CC1 1875297500 TZJLFBOXPGEEQM-INIZCTEOSA-N 362.458 3.851 30 50 FHEA O=C1c2ccccc2C(=O)C1(C(c1ccccc1)c1ccccc1)[N+](=O)[O-] 2963860 ZCXISFVVBPJGCV-UHFFFAOYSA-N 357.365 3.913 30 50 FHEA biogenic C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(OC)cc1 7720818 UDRDVRATKVRFBF-UHFFFAOYSA-N 363.417 3.503 30 50 FHEA CCc1ccc(/C(O)=N/CC2(OC)CCC(C)CC2)cc1S(C)(=O)=O 331047912 JDOYDCNWMGXQCA-UHFFFAOYSA-N 367.511 3.552 30 50 FHEA Cc1cc(C)c(C#N)c(SCc2nc3cc4c(cc3[nH]2)OCCO4)n1 1848444124 NHAOSLOCUGLPAW-UHFFFAOYSA-N 352.419 3.510 30 50 FHEA N#CC1CC2(C1)CC(C(=O)OCc1c(Br)noc1C1CC1)C2 2325779958 UFRNJQYIIPRPBB-UHFFFAOYSA-N 365.227 3.688 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](c2ccccn2)c2ccccc2OC)N=N1 2325892015 YIRAKZJMRWANTE-FQEVSTJZSA-N 362.433 3.652 30 50 FHEA C=C(C)CSc1nnc2[nH]c3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 101156951 QTUYFNVQSQNNRQ-FQEVSTJZSA-N 366.490 3.977 30 50 FHEA C=C(C)COc1cccc(C(=O)NCCC(=O)Nc2ccccc2C)c1 55270019 CGHKDTAGHYVKIW-UHFFFAOYSA-N 352.434 3.709 30 50 FHEA COc1ccc(CSc2nc(N)nc(-c3cccs3)c2C#N)cc1 1398220 SCCJBQKMASXTGW-UHFFFAOYSA-N 354.460 3.960 30 50 FHEA C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)/C(O)=N/C12CC3CC(CC(C3)C1)C2 328671788 HOEHKGJLSQWDBH-SKIXWLFMSA-N 358.526 3.847 30 50 FHEA CCOc1cccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c1O 244872960 WHMDWKFOCQGEIW-UHFFFAOYSA-N 367.493 3.559 30 50 FHEA CC1(C)OB(c2cc(Br)cc(C(F)(F)F)c2)OC1(C)C 169745992 CNCVCSYYPDHXMW-UHFFFAOYSA-N 350.971 3.767 30 50 FHEA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCC(C#N)(c2ccccc2)CC1 823118808 HOBYXZOLUKTKNY-JOCHJYFZSA-N 373.500 3.517 30 50 FHEA C=CCNC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 1877903 GTHWUVQAUAWLDV-VCHYOVAHSA-N 364.268 3.693 30 50 FHEA C=CCn1c(C)c(C(C)=O)c(N2CCN(c3ccccc3)CC2)nc1=S 3648009 GAEPNTBTWQYNRN-UHFFFAOYSA-N 368.506 3.636 30 50 FHEA O=C(Nc1ccc2c(c1)CN(CC#Cc1ccccc1)CC2)c1ccncc1 20994073 WWLPNERTAUKJHW-UHFFFAOYSA-N 367.452 3.744 30 50 FHEA CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1 67802526 IHIWYQYVBNODSV-KRWDZBQOSA-N 374.444 3.558 30 50 FHEA investigational Cc1ccc(C(=O)O/N=C(\N)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 5073023 DFMWRZLQJXSPPN-UHFFFAOYSA-N 363.373 3.728 30 50 FHEA COc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)cc(Cl)c1O 71764326 FUIAXJSHAAZPNZ-UHFFFAOYSA-N 369.812 3.577 30 50 FHEA CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC 96019729 UWEJXZJGJWNHDD-UHFFFAOYSA-N 366.531 3.676 30 50 FHEA O=C(N1CCCC1)N1CCC[C@H](/N=C(/O)c2[nH]c3ccccc3c2Cl)C1 329370917 JWWKTCUMIJRFGZ-ZDUSSCGKSA-N 374.872 3.806 30 50 FHEA CC[C@@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccc(C)cc2)ccc1=O 6767301 OKDFVQYWIFJMAL-FQEVSTJZSA-N 372.428 3.680 30 50 FHEA COc1ccc(/C(C)=N\N=C2/NC(=O)[C@@H](Cc3cccc(C)c3)S2)cc1 15659989 SPSBSBSUQXNRJA-QWQBBLJPSA-N 367.474 3.558 30 50 FHEA Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccccc3C#N)sc21 20616156 WTDCYQSUUJDIAV-UHFFFAOYSA-N 350.325 3.778 30 50 FHEA CCCOc1cc(NC(C)C)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003580 FYJBDUHSOYOPLI-UHFFFAOYSA-N 364.251 3.503 30 50 FHEA CC1(C)OB(c2cc(C(F)(F)F)cc3sc(S)nc23)OC1(C)C 170004998 YZXCVTWLIQFFQS-UHFFFAOYSA-N 361.219 3.903 30 50 FHEA N#Cc1cccnc1-n1cc(NC(=O)CSc2ccc(Cl)cc2)cn1 183673102 DDKYTDGUOFIOMZ-UHFFFAOYSA-N 369.837 3.523 30 50 FHEA C[C@H]1N(Cc2ccc(-c3ccccc3C#N)o2)CCC[C@@]12CCCNC2=O 1875249276 PRQNFDVQMRYMLN-ZHRRBRCNSA-N 363.461 3.699 30 50 FHEA N#CCCC[C@@H](NCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1 2325746762 JAWNQEMEZVTNBR-HXUWFJFHSA-N 363.461 3.975 30 50 FHEA COc1cc(-c2cc(-c3ccc(O)cc3Cl)c(C#N)c(N)n2)ccc1O 67677064 AFGNYCVLHASEPR-UHFFFAOYSA-N 367.792 3.943 30 50 FHEA Cn1cc([C@H]2OCCC[C@@H]2Nc2ccc(C#N)c(C(F)(F)F)c2)cn1 282220589 KCNGCUCLZMVQCH-JKSUJKDBSA-N 350.344 3.643 30 50 FHEA N#Cc1nc(NCc2ccc(N3CCOC3=O)cc2)ccc1C(F)(F)F 799949786 AGQPMIHMPQDHDA-UHFFFAOYSA-N 362.311 3.541 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc3c2CN(c2nccs2)C3)N=N1 2325892700 XTACTHVPRRSEFL-UHFFFAOYSA-N 365.462 3.958 30 50 FHEA C#CCCC1(CCC(=O)NC2([C@@H](O)c3ccccc3)CCCCC2)N=N1 2325892829 IGELCPDEGZAKNT-IBGZPJMESA-N 353.466 3.895 30 50 FHEA CCc1cc(N2CCC(/N=C(/O)N3CC=C(C(C)(C)C)CC3)CC2)ncn1 328879954 KKUQPIHGQWGWNP-UHFFFAOYSA-N 371.529 3.600 30 50 FHEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C[C@H]1C[C@H]2C=C[C@H]1C2 225433218 OQPGQZUOFQEDMP-CWRNSKLLSA-N 363.486 3.534 30 50 FHEA N#Cc1cc2c(nc1N[C@H]1CCN(c3ncccc3Cl)C1)CCCC2 301900539 UVMRFWIZXFOUNV-HNNXBMFYSA-N 353.857 3.571 30 50 FHEA C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1cccs1 12343841 POVNOQUCOMZKBQ-GPAMEVQUSA-N 373.478 3.950 30 50 FHEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(C#N)ccc21 169746295 QNZAWXNUNJJATF-UHFFFAOYSA-N 368.242 3.595 30 50 FHEA O=S(=O)(N/N=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 1187453 QFRDUGNIXDGRQS-DJKKODMXSA-N 362.760 3.671 30 50 FHEA Cc1cccc(/N=C2\S[C@@H](CC(=O)O)C(=O)N2c2cccc(C)c2)c1 5710763 OQOAASGKEJNYLX-JVMRMLDLSA-N 354.431 3.914 30 50 FHEA COc1ccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1 54061441 PIEFHLKTSGJIBU-UHFFFAOYSA-N 374.444 3.544 30 50 FHEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 218257272 KDIPKYAWTYZYJO-CYBMUJFWSA-N 372.323 3.503 30 50 FHEA N#Cc1ccccc1CN1CC[C@]2(CN(C/C=C/c3ccccc3)CCO2)C1 1857691004 RPNBXIMFBLTCHF-OKHPUOTASA-N 373.500 3.548 30 50 FHEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1)c1ccccc1 5448754 JGADWTNQABWULG-IBGZPJMESA-N 356.381 3.865 30 50 FHEA O=[N+]([O-])c1ccc(COc2ccc(/C=N/O)cc2Br)cc1 6926353 GEHVDAZBPXNQDZ-LZYBPNLTSA-N 351.156 3.744 30 50 FHEA Sc1nnc(-c2cccs2)n1/N=C/c1c[nH]nc1-c1ccccc1 13960861 FHPZWQOMXFWQME-VCHYOVAHSA-N 352.448 3.568 30 50 FHEA Cc1ccc(CN2CCN(/N=C/c3ccccc3Br)CC2)cc1 21486459 HCZAMBDCBMKJSM-KGENOOAVSA-N 372.310 3.909 30 50 FHEA CCOc1ccc(Cl)cc1C(=O)/N=C(\N)NC1CCCCCCC1 71775205 MXJAEAIOIXREJZ-UHFFFAOYSA-N 351.878 3.896 30 50 FHEA N#Cc1ccc(Oc2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100357630 SXMURYUIKQGWGU-HZVDNRATSA-N 356.381 3.662 30 50 FHEA CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 4680488 BXRIRJLDXLHQBQ-INIZCTEOSA-N 371.234 3.960 30 50 FHEA Cc1cc(=O)c2cccc(-c3ccc(C(=O)N4CCC[C@@H](C#N)C4)cc3)c2[nH]1 534653075 KDGIPTQCCJFFCS-INIZCTEOSA-N 371.440 3.879 30 50 FHEA COc1ccccc1-c1cc(-c2ccc(C#N)cc2)nc(N2CCOCC2)n1 670464078 UDGYHEJMPUGSGA-UHFFFAOYSA-N 372.428 3.527 30 50 FHEA N#Cc1c(-c2ccccc2)cc(N2CCOCC2)n2c1nc1ccccc12 638340 KBMQEEMVPMJVMC-UHFFFAOYSA-N 354.413 3.863 30 50 FHEA COc1ccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)c(OC)c1 1473687 SITAPRSEDPVTLI-YBFXNURJSA-N 354.435 3.816 30 50 FHEA C=CCc1cc(OC)ccc1OCCOCCN1CCc2ccccc2C1 2844254 IXSHTJUAGYJLHH-UHFFFAOYSA-N 367.489 3.877 30 50 FHEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccs1 12385072 UIUNWMXQKVVVBW-VOZBZGINSA-N 368.458 3.979 30 50 FHEA CCC[C@@]1(COC)CCCN1C(=O)c1cccc(C#N)c1Br 331332025 OZKYZBSKJBZUSM-KRWDZBQOSA-N 365.271 3.742 30 50 FHEA CCc1[nH]c2c(CNC(=O)c3cc(C#N)c(O)nc3C)cc(C)cc2c1C 77406507 JPZGJBOLTQBZEX-UHFFFAOYSA-N 362.433 3.558 30 50 FHEA CCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)CCCC1=O 100157046 FKXISAUZTAKKSR-UHFFFAOYSA-N 373.493 3.992 30 50 FHEA C#CCCC1(CCC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)N=N1 952881503 OWCUYPQOAXQTNT-IBGZPJMESA-N 351.450 3.722 30 50 FHEA COC(=O)c1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc1 6055691 GYMMCRCZAXHYBU-YBFXNURJSA-N 352.419 3.585 30 50 FHEA CCOc1cc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)ccc1O 12411485 GSMSHLLKVKVLLZ-HYARGMPZSA-N 373.884 3.596 30 50 FHEA CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2cccc(Cl)c2)CC1 1142521 IPDSVTTXYGAGPJ-UHFFFAOYSA-N 366.848 3.815 30 50 FHEA Oc1nc(N/N=C/c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 33377590 SPPRTTIKODPYQA-UFFVCSGVSA-N 359.311 3.709 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1S(=O)(=O)c1cnc(CC)[nH]1 1506422666 AZLDYKBNODDJOI-SJORKVTESA-N 357.479 3.609 30 50 FHEA C=CCOc1ccccc1/C=C1\C(=O)ON=C1c1cccc([N+](=O)[O-])c1 20037155 YXJRJDKXLTYOKO-VBKFSLOCSA-N 350.330 3.504 30 50 FHEA CC(C)c1noc([C@H](N/C(O)=N/[C@H](C)c2ccco2)C2CCOCC2)n1 328619104 FLQJQWZUZFKPKH-IUODEOHRSA-N 362.430 3.519 30 50 FHEA N#C[C@@H](NC(=O)c1csc(I)c1)C1CCCCC1 123469022 IGRJSOGODMEZMD-LLVKDONJSA-N 374.247 3.555 30 50 FHEA COc1ccc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1C#N 127406134 JIBBSIOECBNSDU-IBGZPJMESA-N 374.387 3.742 30 50 FHEA CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 95363647 ICXPWBCJBNWCDE-QFIPXVFZSA-N 373.500 3.900 30 50 FHEA CC1(C)OB(c2ccc(NC(=O)OCc3ccccc3)c(F)c2)OC1(C)C 169935903 QKDGXLSSQTZUCQ-UHFFFAOYSA-N 371.217 3.874 30 50 FHEA in-vitro Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c(S)nnc1-c1ccco1 5576575 WUMROMNUWQCXLN-YBFXNURJSA-N 364.434 3.512 30 50 FHEA O=C1CCCC(O)=C1C(C1=C(O)CCCC1=O)c1ccc2c(c1)OCO2 755550 ZTRJHWATVXVSHP-UHFFFAOYSA-N 356.374 3.629 30 50 FHEA COc1ccc(-c2nnc(S)n2/N=C/c2sccc2C)cc1OC 1475965 JBXPZRZTFIQCQA-RQZCQDPDSA-N 360.464 3.503 30 50 FHEA C=C(C)CN(CC)Cc1cccc(OC[C@@H](O)CN2CCCCCC2)c1 11998783 PEEMVUOJFJNDBC-NRFANRHFSA-N 360.542 3.700 30 50 FHEA N#Cc1ccc(-c2cccc(CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)s1 170619278 DXJNBSBXTIFYEX-LNMJFAINSA-N 360.438 3.594 30 50 FHEA CC(C)(C)c1ccc(OCCC[N+]2C(=O)C(=NO)c3ccccc32)cc1 343516961 PAUCTYLJTSVXIH-UHFFFAOYSA-N 352.434 3.943 30 50 FHEA CCCCCCC[C@]1(C)NC(=O)N(/N=C/c2ccc3c[nH]nc3c2)C1=O 1875253435 MZKCPKMSHHLYOY-CIPMJJFUSA-N 355.442 3.568 30 50 FHEA C=CC(=O)N(C)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCC2)cc1 1875373410 ADWRAOQOOYIQAI-UHFFFAOYSA-N 359.429 3.516 30 50 FHEA CCOC(=O)Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 1146341 RBIRLHOIRYHYCK-UHFFFAOYSA-N 359.381 3.667 30 50 FHEA C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1ccccc1 5047098 QCOVCJQGBPASPF-BLUIXAOTSA-N 367.449 3.888 30 50 FHEA C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S1)C(C)(C)C 5101413 YEIITECHOQWTSS-NSMHLIOHSA-N 374.510 3.642 30 50 FHEA Cc1cc(C(=O)CSc2ncccc2C#N)c(C)n1Cc1ccco1 7051906 VOMZCCFFLUNZRB-UHFFFAOYSA-N 351.431 3.988 30 50 FHEA CCN1CCC[C@@H](CN(C)/C(O)=N/CCC2=CCCC2)[C@@H]1c1cnn(C)c1 328643289 YSDLPTJOMWHCDC-AZUAARDMSA-N 373.545 3.539 30 50 FHEA N#Cc1cc(N2CCN(c3ccc(F)cc3Cl)CC2)c(Cl)cn1 2325867869 IASQYTPNESCRGA-UHFFFAOYSA-N 351.212 3.726 30 50 FHEA COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(Cl)cc3)S2)cc1 5048628 CCZIGSNPLKKLMR-YODDIOPGSA-N 373.865 3.513 30 50 FHEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)c(OC)c2)c1 5932606 SFDJFLRGEOMINK-YBFXNURJSA-N 370.434 3.516 30 50 FHEA O=C(C[C@]1(O)OC(c2ccc(Cl)cc2)=CC1=O)c1ccc(Cl)cc1 752152 UBSRQGFUSLVLTG-SFHVURJKSA-N 363.196 3.895 30 50 FHEA C=CCN(Cc1cccnc1)C(=O)c1cc(CN(CC)CC)c(CC)o1 55120392 CHNRSYOVJPTTHP-UHFFFAOYSA-N 355.482 3.907 30 50 FHEA Cc1oc(NC(=O)c2ccc(CN(C)Cc3ccno3)cc2)c(C#N)c1C 65420721 PNBDPBJHTXCTAJ-UHFFFAOYSA-N 364.405 3.640 30 50 FHEA O=S(=O)(/N=C(\Nc1ccccn1)c1ccccc1)c1ccc(Cl)cc1 12513962 DJSDXNGVCOPHHQ-UHFFFAOYSA-N 371.849 3.983 30 50 FHEA CC(C)(/C(O)=N/[C@@H]1C[C@H]1c1c(F)cccc1Cl)S(=O)(=O)C1CC1 328793936 BFGZKFNOCBMQSO-ZWNOBZJWSA-N 359.850 3.647 30 50 FHEA C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F 225589289 QRNVRZGUOQPWJP-JJRVBVJISA-N 371.399 3.960 30 50 FHEA COc1ccc(F)cc1C(=O)[C@H]1CCCN(CC#Cc2ccccc2)C1 55153332 MGUVVMSWABHOJR-SFHVURJKSA-N 351.421 3.781 30 50 FHEA CN1CC[C@@H](CN[C@H](/C(O)=N/C2CC2)c2ccccc2)[C@@H]1c1cccnc1 328655849 YVFWMOKKZDMMEX-JBACZVJFSA-N 364.493 3.524 30 50 FHEA C=CCCC(=O)NC[C@@H]1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1 12184831 DNSXRBJHAIRFPZ-KRWDZBQOSA-N 359.429 3.683 30 50 FHEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(-c2ccccn2)cc1 71749873 AYTOIEBLADRECV-UHFFFAOYSA-N 366.428 3.973 30 50 FHEA C[C@@]12CC[C@@H]3[C@]4(CCC5=CC(=O)CC[C@]53CO4)[C@H]1CC[C@H]2C(=O)C1N=N1 254815071 BEZPFZAQJHAMRG-XFKPDKBWSA-N 354.450 3.628 30 50 FHEA O/C(=N/C[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1coc(C2CCCCC2)n1 328719146 GEFPMMWMTIRTBH-LXDOAUBVSA-N 368.477 3.536 30 50 FHEA N#Cc1ccccc1Oc1ccccc1C(=O)N1CCCC[C@H](CO)C1 378488514 NWYKNRGXBSWSHM-INIZCTEOSA-N 350.418 3.585 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](CCC(=O)OC)CC2CCCCC2)N=N1 2325894894 WNZUYVMMQWWRJT-QGZVFWFLSA-N 361.486 3.751 30 50 FHEA C=C(C)CN(CC)C(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C 12456357 IKUMCDQPVOSFQZ-AWEZNQCLSA-N 374.510 3.629 30 50 FHEA OC(=Nc1nc2c(s1)CCCCC2)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 329790460 TWMRDDWJZNJYSZ-HOCLYGCPSA-N 361.511 3.991 30 50 FHEA O=C1C(Cl)=CC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 1857666356 LXVBTGUJNQBBFO-UHFFFAOYSA-N 366.225 3.837 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccco1 719743 ZEYHPNOQSATZAE-UHFFFAOYSA-N 372.425 3.902 30 50 FHEA N/C(=N\OC(=O)c1ccccc1Br)c1ccc(Cl)cc1 5112033 ZFQOAPSEQFMEIH-UHFFFAOYSA-N 353.603 3.580 30 50 FHEA CCN(CC)c1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)cc1 13371174 TVRAXDDYILJZRM-NKFKGCMQSA-N 366.509 3.698 30 50 FHEA C#CCN(CC=C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 14973952 ZVKQEBULNTUFEJ-UHFFFAOYSA-N 364.323 3.534 30 50 FHEA C=CCOc1c(Cl)cc(CN2CCC(NC(C)=O)CC2)cc1Cl 55343861 FFQLKTBODGRYPQ-UHFFFAOYSA-N 357.281 3.659 30 50 FHEA CCn1cc(-c2c(C#N)c(N)nc3c2CN(c2cccc(C)c2)CC3)c(C)n1 72128381 RXNDIWSVIGQVFI-UHFFFAOYSA-N 372.476 3.598 30 50 FHEA N#Cc1cnc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c(Cl)c1 334016863 ZQWGVXBIPMZPBL-GOSISDBHSA-N 367.836 3.601 30 50 FHEA C#CCCC1(CCC(=O)N(Cc2ccc3c(c2)OCO3)CC2CC2)N=N1 2325892774 BPVZNHDOGXVIQF-UHFFFAOYSA-N 353.422 3.510 30 50 FHEA Cc1ccc(OCCOc2ccc(Cl)cc2/C=N/n2cnnc2)cc1 2829594 WYXGITFHDAJMTC-SSDVNMTOSA-N 356.813 3.580 30 50 FHEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(O)c2)C1=O 4550946 WJYXUWNZRNPVMG-VBKFSLOCSA-N 367.426 3.936 30 50 FHEA Cc1cccc(C[C@@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)c1 5008859 BQIGIKJXZGEJGY-YODDIOPGSA-N 357.866 3.813 30 50 FHEA C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1cccnc1 8471965 AHNIQUOWZOYYNW-AWEZNQCLSA-N 365.462 3.645 30 50 FHEA Cc1cc(CN2CCN(CCC#N)CC2)c(O)c(C2(C)CCCCC2)c1 19857271 QTDWKLVXZXCNFZ-UHFFFAOYSA-N 355.526 3.954 30 50 FHEA COc1cccc(Cl)c1C/N=C(/O)N1CC[C@]2(C1)OCc1ccccc12 330049517 KWCVFWACQNZOSG-HXUWFJFHSA-N 372.852 3.894 30 50 FHEA C#CCCC1(CCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)N=N1 952882518 RXILIQATSHMLSV-LJQANCHMSA-N 352.482 3.604 30 50 FHEA COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 4915976 MTQALQBWUDTCSZ-ZFWWWQNUSA-N 353.443 3.761 30 50 FHEA O=C(NCC#Cc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622999 JYKNELMATHRPOT-UHFFFAOYSA-N 371.318 3.537 30 50 FHEA COc1ccc(OC)c(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1 1189946 HPKFKJZMHQCMNS-KGENOOAVSA-N 359.857 3.513 30 50 FHEA Cc1ccc([C@H]2O[C@@]34CCCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 169294971 PKDKTLASUVQSFI-SGLNWRHMSA-N 360.417 3.894 30 50 FHEA O=[N+]([O-])c1cc(/C=N/NC(=S)Nc2ccc(F)cc2)ccc1Cl 1698957 XTDGICKUDBZVCK-CAOOACKPSA-N 352.778 3.708 30 50 FHEA O/C(=N/CCc1ccc2ccccc2n1)N1CC[C@@]2(C1)OCc1ccccc12 329960034 RKGRKGUXNGFPNJ-QHCPKHFHSA-N 373.456 3.823 30 50 FHEA C#CCCC1(CCNC(=O)c2cnn(-c3ccccc3C)c2C(C)C)N=N1 2325890949 GQBDMXDYLUZJGQ-UHFFFAOYSA-N 363.465 4.000 30 50 FHEA C[C@@H](NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21)c1ccccc1 6275527 UFTPBBHPDJVSEG-LJQANCHMSA-O 370.476 3.855 30 50 FHEA CCc1nccn1[C@@H]1CCCN(/C(O)=N/[C@H]([C@@H](C)CC)C(F)(F)F)C1 331316798 FXAWWDMXTZJXPG-GZBFAFLISA-N 360.424 3.973 30 50 FHEA CCc1cc2c(-c3ccccc3)cc(=O)oc2c(C(=O)/C=C/N(C)C)c1O 141268417 CMUZXCCSOISTOA-ZHACJKMWSA-N 363.413 3.986 30 50 FHEA Cc1noc([C@H]2CCCCN2C(=O)c2cccc(-c3cccnc3C#N)c2)n1 299761333 JHJKXMKJIWWYSO-LJQANCHMSA-N 373.416 3.679 30 50 FHEA COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1OC 1473712 HBJZKYAYKAKCRG-VXLYETTFSA-N 374.853 3.787 30 50 FHEA C=CCc1cccc(OC)c1OCCCn1cnc2ccccc2c1=O 3003808 NZKVLCXFIDMQFV-UHFFFAOYSA-N 350.418 3.603 30 50 FHEA COc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)cc1 4888920 LTNGHDBUBYMIGN-YODDIOPGSA-N 373.865 3.513 30 50 FHEA CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 5918200 RJWVYLPZBXLUSL-FQEVSTJZSA-N 359.429 3.688 30 50 FHEA C=CCSc1nc(N)c(-c2nc(-c3ccccc3)cs2)cc1C(N)=O 20293765 DCYUXTCNEVFDID-UHFFFAOYSA-N 368.487 3.831 30 50 FHEA CCCSc1ncc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cn1 67473505 GVWBMKNOZZQGBQ-UHFFFAOYSA-N 350.451 3.500 30 50 FHEA CC1(C)OB(c2c(N)cc(C(F)(F)F)cc2C(F)(F)F)OC1(C)C 170008155 PSOGXGJLLVWGGK-UHFFFAOYSA-N 355.087 3.606 30 50 FHEA C=CCOc1ccccc1NC(=O)N1CCC(Oc2cccnc2)CC1 299763605 PBFMYWNFSPHMSA-UHFFFAOYSA-N 353.422 3.722 30 50 FHEA N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)c1 376104478 WMXKTISCARVABO-INIZCTEOSA-N 353.853 3.858 30 50 FHEA CN(C)C(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1C#N 1857708994 XQMSWDUTWMBCAY-WMTXJRDZSA-N 373.500 3.612 30 50 FHEA C[C@H]1C(=O)CC[C@@H]1CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 1875389256 HYYDHTWPOKJOSF-FOGDFJRCSA-N 367.232 3.646 30 50 FHEA C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 985950 QYCHHEOESPHTAO-LLVKDONJSA-N 352.525 3.912 30 50 FHEA C=CCN1C(=O)NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)C1=O 4991743 DWWYFXMUJBQCET-UYRXBGFRSA-N 356.381 3.641 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccnn2C(C)C)CC(=O)O3)C1=O 217849982 AMNYBHKTAIPKHN-CYBMUJFWSA-N 352.390 3.774 30 50 FHEA biogenic CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)o1 67490761 NXMSOMZUNXCMJT-CQSZACIVSA-N 357.837 3.685 30 50 FHEA CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 18195057 ZAGZDRXGPOHPTF-OAQYLSRUSA-N 373.456 3.997 30 50 FHEA COc1cccc(/C(C)=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 19834263 GWZAOYUSQSKMKA-CJLVFECKSA-N 357.885 3.890 30 50 FHEA CCOc1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c1O 1473740 XWQDBQLKQGCJJV-VXLYETTFSA-N 374.853 3.874 30 50 FHEA COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 19945635 QDRLOVSVFGFTEI-XDHOZWIPSA-N 373.459 3.703 30 50 FHEA Cc1cc(-c2nn(C)c(Cl)c2-c2cc(C(C)(C)C)nc(N)c2C#N)no1 71753842 XFYVFCAMSHXOOX-UHFFFAOYSA-N 370.844 3.850 30 50 FHEA C[C@@H](c1cccc(Br)c1)S(=O)(=O)Cc1ccccc1C#N 134456108 DQIADFGQYPVZOW-LBPRGKRZSA-N 364.264 3.997 30 50 FHEA COc1cc(C=Nc2ccc(I)cc2)ccc1O 254512594 BDUZFRIHHIEADR-UHFFFAOYSA-N 353.159 3.756 30 50 FHEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N(C)C[C@H]3CCCCO3)cc2)n1 426512300 QQUXFHIPGZEOBT-LJQANCHMSA-N 363.461 3.878 30 50 FHEA Cc1ccc(C(=O)O/N=C(\N)c2ccc(Br)cc2)cc1Cl 4803134 NKEAYXTZXCQCQJ-UHFFFAOYSA-N 367.630 3.888 30 50 FHEA C=CCOc1ccccc1CN1CCN(c2ccc(C(C)=O)cc2)CC1 55292249 KPHLUSJSRAYEOK-UHFFFAOYSA-N 350.462 3.776 30 50 FHEA CC(C)c1nc(CN(C)CCCC(=O)Nc2ccc(C#N)cc2)cs1 252489417 JQQGJMKOFIUSHZ-UHFFFAOYSA-N 356.495 3.989 30 50 FHEA O=C1C[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 6819558 AQCIFOFDWHJUTD-PBHICJAKSA-N 351.377 3.536 30 50 FHEA N/C(=N\O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 98071494 LVKOBADJPPKHQZ-UHFFFAOYSA-N 374.400 3.537 30 50 FHEA COc1ccc(/C(C)=N/OCC(=O)Nc2cccc(C)c2C)c(OC)c1 669928 JWEVQKYEPWRVND-PXLXIMEGSA-N 356.422 3.700 30 50 FHEA Cc1c(/N=C/c2ccc(OC(F)F)cc2)c(=O)n(-c2ccccc2)n1C 3170586 KLQNNFZWOLSRDR-WSDLNYQXSA-N 357.360 3.836 30 50 FHEA O=C1C(Cl)=C(N2CCCCC2)C(=O)C(Cl)=C1/C=C/N1CCCCC1 1190521 GKDPJWCPSNIMSO-KPKJPENVSA-N 369.292 3.567 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(N(C)C)cc2)cc1 1473627 WYDGWUZTZPVRID-XDHOZWIPSA-N 353.451 3.564 30 50 FHEA O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3s1)N2 6492297 ODANYRXUIXFPLA-UHFFFAOYSA-N 352.463 3.987 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C2\C[C@@]34CCCC[C@@]35C[C@H]2O[C@H]5C4)c([N+](=O)[O-])c1 216367785 HNFGDJSRIPJISB-JVFADYFISA-N 372.381 3.783 30 50 FHEA C#CCCC1(CCC(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)N=N1 952880041 ITGJMKAKIFYRBJ-KRWDZBQOSA-N 356.445 3.575 30 50 FHEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(F)c2)cc1 6819619 YZIKUPLKYXFVGO-CRAIPNDOSA-N 365.404 3.839 30 50 FHEA N#C[C@H]1CCCN(Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 216179722 FBVBAICQHOLROQ-MRXNPFEDSA-N 358.873 3.741 30 50 FHEA CN(Cc1cnc2ccccc2c1)C(=O)c1cccc(C#CC(C)(C)O)c1 952976654 GZFUFYSCVBOZML-UHFFFAOYSA-N 358.441 3.629 30 50 FHEA COc1ccccc1N1CCN(/N=C\c2ccccc2Br)CC1 5052567 MOZZWGGKJFQSBG-ZHZULCJRSA-N 374.282 3.614 30 50 FHEA C=CCN1CC[C@@H](Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)C1 670451420 SBOZMPIUMZQVKE-CQSZACIVSA-N 369.465 3.772 30 50 FHEA C#CCOCc1nc([C@H](C)Oc2ccc(Br)cc2Cl)no1 1875317437 ZBGFKHVERVAOFR-VIFPVBQESA-N 371.618 3.775 30 50 FHEA Cc1cccc(OCCOc2ccc(Cl)cc2/C=N/n2cnnc2)c1 2957933 PFCOYSVOKLSBJZ-SSDVNMTOSA-N 356.813 3.580 30 50 FHEA N#Cc1c(SCCCOc2ccccc2)sc2c(O)cc(=O)[nH]c12 65363483 XGDKHBHNBVJCFM-UHFFFAOYSA-N 358.444 3.728 30 50 FHEA O=C1C[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914742 SICBPJSPPOLFLU-CJNGLKHVSA-N 353.368 3.969 30 50 FHEA COc1c(Cl)cc(Cl)cc1-c1c(C#N)c(N)nc2c1COCC2 71747235 IQOHFQVGBTUWEK-UHFFFAOYSA-N 350.205 3.591 30 50 FHEA CC(C)c1nnc([C@H](C)NC(=O)CC2=C(c3ccccc3)CCC2=O)o1 426613691 XBSYEFQBBHPBLM-ZDUSSCGKSA-N 353.422 3.577 30 50 FHEA CCOc1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc1OC 244816999 SSNMHSHQMKVWNM-UHFFFAOYSA-N 368.462 3.832 30 50 FHEA CC(=NO)c1ccc(N=C2C(=O)Nc3ccc(Br)cc32)cc1 245240533 ZNXYMEVBZWGVTR-UHFFFAOYSA-N 358.195 3.720 30 50 FHEA CC1(C)OB([C@H]2CCN(C(=O)N3CCC[C@H]3c3ccncc3)C2)OC1(C)C 1875366778 VNVNZQWZMWLTFT-IRXDYDNUSA-N 371.290 3.507 30 50 FHEA CCC1(CC)[C@@H](NC(=O)c2cccc(C#N)c2Br)C[C@@H]1OC 332499669 ZYHNXVVDNWHQOT-KBPBESRZSA-N 365.271 3.644 30 50 FHEA C[C@@H](Nc1c(C#N)cnc2cnccc12)[C@H](O)c1c(F)cccc1Cl 2325855108 IKILOWAOAGIDHT-MGNBDDOMSA-N 356.788 3.828 30 50 FHEA CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccc(F)cc1)C(C#N)C#N 12379252 QMPVYGCTGXENIZ-OALUTQOASA-N 367.355 3.556 30 50 FHEA Cc1cc(C)c(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)NC2=O)c(C)c1 13898508 CZKOHZHJSJDSFQ-INIZCTEOSA-N 367.474 3.860 30 50 FHEA N#Cc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCCCC2 2872664 FXEGWKIVKJXNFE-UHFFFAOYSA-N 355.419 3.978 30 50 FHEA N#Cc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 4052781 FVFUZGUMWJZBHP-UHFFFAOYSA-N 359.351 3.539 30 50 FHEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1ccccc1 8578830 ONGNCADZJOQNFG-CYBMUJFWSA-N 353.447 3.633 30 50 FHEA C=CCOc1ccccc1CN[C@H]1CCCc2c1cnn2-c1ccccn1 12305435 VDUPYMWVHGAJIW-IBGZPJMESA-N 360.461 3.999 30 50 FHEA C=C(C)COc1cccc(CN(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1 55107868 SSAWOGYLHKUBDG-LJQANCHMSA-N 356.510 3.864 30 50 FHEA COC(=O)c1cc(-c2cc(-c3ccc(O)c(C)c3)c(C#N)c(N)n2)c(C)o1 71661701 QBCNGWYRDPPNOY-UHFFFAOYSA-N 363.373 3.572 30 50 FHEA N#Cc1c([C@@H]2CCOC2)cc(-c2ccc(F)cc2C(F)(F)F)nc1N 71750972 WEYRZTNCKUYHEP-SECBINFHSA-N 351.303 3.864 30 50 FHEA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)c1cccc(C#N)c1Br 332499674 ZYHNXVVDNWHQOT-KGLIPLIRSA-N 365.271 3.644 30 50 FHEA N#Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4O)cc2)cc1Cl 426619958 BOYNSYQOCIPBGZ-RUYXUALKSA-N 366.848 3.722 30 50 FHEA N#Cc1ccnc(-c2ccc(C(=O)N3CCCN(C4CCCC4)CC3)cc2)c1 426370315 FGMRYGOBYSOGGI-UHFFFAOYSA-N 374.488 3.711 30 50 FHEA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ncccc2C#N)cc1 426411552 UFLNMBZJDBGNRC-LJQANCHMSA-N 373.460 3.661 30 50 FHEA NC(=S)C(=NNc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1 254705622 FAWSGNHDGIXBFF-UHFFFAOYSA-N 367.261 3.686 30 50 FHEA C#Cc1cc(F)c(NCC(=O)Nc2ccc(OC)c(Cl)c2)c(F)c1 170616340 GNSRZQTYMHQKAD-UHFFFAOYSA-N 350.752 3.659 30 50 FHEA C[C@H]1CN(Cc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H](C)O1 200714203 DDBGHPZIERQRNE-PPVVZDBHSA-N 357.303 3.940 30 50 FHEA CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ncccc2C#N)cc1 426667337 HZCNTDAYRQERDN-UHFFFAOYSA-N 373.460 3.652 30 50 FHEA CC(=O)O[C@H]1CC[C@@]2(/C=N/O)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118915840 JIIVOVFNPCJNDJ-PJFHMYDBSA-N 359.466 3.890 30 50 FHEA CCc1nsc(N2CCCN([C@H](C#N)c3ccc(Cl)cc3)CC2)n1 252484130 FPDUQWHWSARHBU-OAHLLOKOSA-N 361.902 3.531 30 50 FHEA C[C@H](O/N=C(/N)CN1[C@@H](C)CCC[C@@H]1C)c1ncc(-c2ccccc2)o1 253428203 INJPYFITTQUGEO-JYJNAYRXSA-N 356.470 3.954 30 50 FHEA Cc1cc(F)ccc1[C@H]1CCCN1S(=O)(=O)CC1(C#N)CCCC1 331605355 VRFMLJLOSAZSFZ-QGZVFWFLSA-N 350.459 3.685 30 50 FHEA COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)c1 625724 QNEUPCNQCCWOOI-LJQANCHMSA-N 355.434 3.615 30 50 FHEA C=C(C)CN(CC)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 14753195 JWIRVPSIURLTED-SFHVURJKSA-N 372.557 3.530 30 50 FHEA C=C(C)COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)c1 20450012 QWALPDZFPJBEFG-MRXNPFEDSA-N 370.474 3.779 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@H](c2ccnn2C(C)C)CC(=O)O3)C1=O 217849899 AMNYBHKTAIPKHN-ZDUSSCGKSA-N 352.390 3.774 30 50 FHEA biogenic N#C[C@H]1N(C(=O)c2[nH]c3ccccc3c2Cl)CCC[C@@]12CCCCO2 329845774 LYTZUDPTBCTCSY-BEFAXECRSA-N 357.841 3.889 30 50 FHEA C#CCCC1(CCC(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)N=N1 952883176 XHVUZZGDBZCWOK-INIZCTEOSA-N 372.900 3.901 30 50 FHEA C/C(=N\Nc1ccc(S(=O)(=O)O)cc1)c1cccc(Br)c1 4955518 MZNYTYILNTYYKL-MHWRWJLKSA-N 369.240 3.532 30 50 FHEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccccc3C)o2)cc1 170623819 NQMZFATYPFKROT-UHFFFAOYSA-N 352.415 3.804 30 50 FHEA COc1c(F)cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cc1Cl 67604205 KBOAOQWYCQENRJ-ZUZCIYMTSA-N 372.831 3.695 30 50 FHEA CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C 77270453 UFEOMHFPJREVTP-PTRHGPIFSA-N 366.457 3.883 30 50 FHEA biogenic,in-vitro COc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)c(OC)c2)cc1OC 5725210 OTYRBWJIMLILDC-JFMUQQRKSA-N 356.422 3.954 30 50 FHEA C=CCOc1ccc(Cl)cc1/C=C1\C(=N)N2N=C(CC)SC2=NC1=O 4511071 ZXPQXUMGNJWIEX-BKPRWIHQSA-N 374.853 3.934 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 4134333 HFJDFFXNAWHTFG-UHFFFAOYSA-N 358.398 3.594 30 50 FHEA C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccccc1 9189715 RDFFTXVOAZTDIE-HOTGVXAUSA-N 370.522 3.728 30 50 FHEA N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccc(Cl)cc1 170623822 DQPIRTTZFNIBAU-UHFFFAOYSA-N 358.806 3.841 30 50 FHEA CCn1c([C@H]2OCC[C@H]2c2ccccc2)nn(CCCC(C)(C)C#N)c1=O 328628663 HLPXBEAZORZNSP-ROUUACIJSA-N 368.481 3.640 30 50 FHEA Cc1sc(NC(=O)c2ccn(COc3ccccc3F)n2)c(C#N)c1C 2797931 QDOUWPCEVWGBJS-UHFFFAOYSA-N 370.409 3.861 30 50 FHEA Cc1nn(C)c(C)c1-c1cc(-c2ccc(O)cc2Cl)c(C#N)c(N)n1 71614973 NMNMYZRTJQORTJ-UHFFFAOYSA-N 353.813 3.579 30 50 FHEA Cc1ccc([C@@H]2O[C@@]34CCCCC[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 245311640 PKDKTLASUVQSFI-IDPBPBMLSA-N 360.417 3.894 30 50 FHEA Cc1c(/N=C/c2cccc(OC(F)F)c2)c(=O)n(-c2ccccc2)n1C 5677571 RVNPBEHZCGSJER-WSDLNYQXSA-N 357.360 3.836 30 50 FHEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 19315046 IBWOYFDXZPKSNH-HXUWFJFHSA-N 368.477 3.672 30 50 FHEA Cc1ccn2cc(C/N=C(/O)[C@H]3C[C@@]34CCOc3ccc(F)cc34)nc2c1 328605430 NPECFXPHRZXEII-DYESRHJHSA-N 365.408 3.979 30 50 FHEA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1O 217681891 OZZLSMBAHSNVKW-ZDUSSCGKSA-N 366.369 3.711 30 50 FHEA biogenic CN(Cc1noc(C2CCC2)n1)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 426490335 PZTKHXGFNWYNBJ-UHFFFAOYSA-N 373.416 3.543 30 50 FHEA CC(C)c1cc(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)on1 426727544 UTHYCNCNAXLTCN-UHFFFAOYSA-N 352.438 3.565 30 50 FHEA CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 18157490 NPEXAEOUMYOIHR-KRWDZBQOSA-N 370.836 3.614 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccn1 19761317 SEDUCHOIUKMEMK-AOMKIAJQSA-N 374.440 3.616 30 50 FHEA Cc1ncoc1/C(O)=N/[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 329807583 AGOMYJLQVRIHTR-SNVBAGLBSA-N 374.750 3.634 30 50 FHEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccnc2)o1 796008 NXVPISHGIGILFV-LJQANCHMSA-N 374.396 3.762 30 50 FHEA CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 1216758 DDGGUTYEFIEOOQ-VAWYXSNFSA-N 355.390 3.689 30 50 FHEA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(N)=S)cc1 2543084 USGYYJVBWVBGBU-WSDLNYQXSA-N 363.442 3.535 30 50 FHEA C=CCC1=C[C@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C 4098757 VDYACOATPFOZIO-HBUDHLSFSA-N 356.418 3.766 30 50 FHEA biogenic,in-vitro COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 4502173 IOKZASXSTAHGFI-AWEZNQCLSA-N 357.450 3.729 30 50 FHEA O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1cccc([N+](=O)[O-])c1 5740286 JTIPEYCZBITJJI-UHFFFAOYSA-N 370.388 3.980 30 50 FHEA CC(C)(O)C#Cc1ccc(-c2nccn2Cc2ccc3c(c2)OCO3)s1 67919826 STAKWLDRCGHUAP-UHFFFAOYSA-N 366.442 3.511 30 50 FHEA CN(C/C(O)=N/[C@@H]1CCC(O)=NC12CCC2)c1nc2ccccc2s1 328784526 VSAMABXYKWFRDU-CQSZACIVSA-N 358.467 3.731 30 50 FHEA N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC(N)=O 704415 KGTOIYCTGVNDFW-UHFFFAOYSA-N 351.456 3.926 30 50 FHEA Oc1c(Br)cc(Br)cc1/C=N/Nc1ccccn1 4981793 YKUIVMWLVDCBDY-FRKPEAEDSA-N 371.032 3.758 30 50 FHEA COc1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)c(OC)c1 6055700 XRHXWFVKHGJSKW-YBFXNURJSA-N 354.435 3.816 30 50 FHEA Cc1nc([C@@H](C)N(C)C(=O)c2ccc(C#CC(C)(C)O)cc2)c(C)s1 215001262 OYBJJCQEIAAAOO-CYBMUJFWSA-N 356.491 3.716 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc4c(c2)OCO4)CC(=O)O3)C1=O 217743343 QNSDMFODWWVWDW-CYBMUJFWSA-N 364.353 3.725 30 50 FHEA biogenic C=CCN1CC[C@H](Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)C1 670451419 SBOZMPIUMZQVKE-AWEZNQCLSA-N 369.465 3.772 30 50 FHEA N#CCc1ccc(OCCN2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)cc1 2325761001 MTTZPPAXCCYRMN-SFTDATJTSA-N 362.473 3.646 30 50 FHEA Fc1ccc(CN=c2nc(C(F)(F)F)cc(C(F)(F)F)[nH]2)cc1F 2325899671 QPQCFENHTBMVMP-UHFFFAOYSA-N 357.204 3.826 30 50 FHEA Sc1nnc(-c2ccco2)n1/N=C/c1ccc(Br)s1 1253459 GWNFRNHSIOCVTB-AWNIVKPZSA-N 355.242 3.533 30 50 FHEA C=CCn1cc([C@@H]2C[C@H](NC(=O)c3ccccc3)C[C@H](CC)O2)c(C)n1 65373360 MEMUMTMSHXLJLY-HBFSDRIKSA-N 353.466 3.806 30 50 FHEA C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC1=NS(=O)(=O)c2ccccc21 222074728 UFSXVUFNNRKKJP-FYJGNVAPSA-N 371.506 3.708 30 50 FHEA Cc1ccc(CN=C2N[C@H]([C@H](O)c3ccccc3)[C@@H](C)N2)c2ccccc12 1875349060 LLGBWYXASCTWQN-URZJWIJPSA-N 359.473 3.688 30 50 FHEA COc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 4502174 IOKZASXSTAHGFI-CQSZACIVSA-N 357.450 3.729 30 50 FHEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccs1 12385074 UIUNWMXQKVVVBW-SDDDUWNISA-N 368.458 3.979 30 50 FHEA CCOC(=O)c1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 1197139 TYSZJIOKAIVJDK-UHFFFAOYSA-N 363.413 3.875 30 50 FHEA C[C@H]1CCC[C@](C#N)(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C1 126206524 BAJIGTLSQNJEEY-NYHFZMIOSA-N 361.445 3.886 30 50 FHEA O=[N+]([O-])c1cccc(C=Nc2ccc(I)cc2)c1O 254483780 MVGWZJYGXYMEQR-UHFFFAOYSA-N 368.130 3.656 30 50 FHEA COc1ccccc1[C@@H](C)/N=C(/O)Cn1cc(-c2ccccc2)ncc1=O 328593806 LHLDWWNOKQDILA-OAHLLOKOSA-N 363.417 3.637 30 50 FHEA COc1cc(CCN=c2[nH]c3ccccc3cc2C#N)ccc1OC(F)F 1875263493 SLSQVKVLENGQJL-UHFFFAOYSA-N 369.371 3.793 30 50 FHEA Cc1ccc([C@@]23C[C@H]2CN(c2c(Br)cncc2C#N)C3)cc1 2325867119 LFOYPIIMHJXJAU-YJBOKZPZSA-N 354.251 3.802 30 50 FHEA C=CCc1cc(OC)ccc1OCCCCn1cnc2ccccc2c1=O 3462432 JZNYSMCCIVRNSY-UHFFFAOYSA-N 364.445 3.993 30 50 FHEA COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(Cn3cccn3)c1)C2=O 4744792 UMBRUKBAYFPUOW-JAIQZWGSSA-N 362.385 3.565 30 50 FHEA N#Cc1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCCC2 732066 ZVDIYVQYMHKYBT-UHFFFAOYSA-N 350.399 3.857 30 50 FHEA N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)cc1 849545 ZOXFXPZJXICCBF-RBUKOAKNSA-N 362.385 3.956 30 50 FHEA CC1(C)C=C2C(=C(O)C[C@@H](c3ccccc3[N+](=O)[O-])C2(C#N)C#N)C(=O)C1 1199497 UJMXCUQYKIJLLL-ZDUSSCGKSA-N 363.373 3.853 30 50 FHEA CCCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 4488922 RKIMGIDJDPXHCG-CQSZACIVSA-N 357.450 3.731 30 50 FHEA CC(C)Oc1ccc(CNC(=S)N/N=C/[C@@H]2CCOC(C)(C)C2)cc1 5230895 RGWAEESOBGSMSO-WMRWHDLOSA-N 363.527 3.629 30 50 FHEA C=CCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC 14396572 DWKXQWQNADBXMV-UHFFFAOYSA-N 354.425 3.525 30 50 FHEA C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 19790568 XABNGEVEAXMMPW-QNGOZBTKSA-N 372.856 3.790 30 50 FHEA O/C(=N/[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N[C@H]1C[C@H]2CC[C@H]1O2 328613103 QAPDZYRVIXCCTH-CSOUEMRRSA-N 354.372 3.775 30 50 FHEA Cc1ccc(S(=O)(=O)N/N=C(/Cc2ccccc2)c2ccccc2)cc1 4800586 INMYHVHTZKDKDK-DQRAZIAOSA-N 364.470 3.920 30 50 FHEA Cc1ccc(CN2CCN(/N=C/c3ccc(Br)cc3)CC2)cc1 20189286 DOBMPKOUCYKHDT-KGENOOAVSA-N 372.310 3.909 30 50 FHEA C=C(C)CN(C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67641866 CMDULRGJKZEBDW-UHFFFAOYSA-N 367.493 3.777 30 50 FHEA CC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 363570286 XEBOGGISFOGAKB-PMACEKPBSA-N 362.433 3.949 30 50 FHEA C[C@H]1CCCN(CCNC(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C1 426381448 MIPORLOIPGNCQJ-INIZCTEOSA-N 365.452 3.826 30 50 FHEA OC1=Nc2cc(/C(O)=N/CC3C4CC5CC(C4)CC3C5)ccc2C(O)=NC1 328966143 SMOCGGBIWMJXRG-UHFFFAOYSA-N 367.449 3.970 30 50 FHEA N#Cc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)[C@@H]2C=CC=C[C@@H]2C4=O)cc1 219035267 UGFUGVPLBBHUQI-CABCVRRESA-N 351.365 3.839 30 50 FHEA Cc1ccccc1NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 196261533 CDGWNTATCIGISB-UHFFFAOYSA-N 352.243 3.938 30 50 FHEA C=C(C)COc1cccc(C(=O)N2CCC(CCn3cccn3)CC2)c1 55108602 WRHKEEWZKPSGSQ-UHFFFAOYSA-N 353.466 3.781 30 50 FHEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1cccs1 85376194 BUXMIEDECHMCOE-GFCCVEGCSA-N 359.476 3.695 30 50 FHEA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1nc2c(cc1C#N)CCC2 2325708727 MBEBYSBAMAJSCG-BJZITVGISA-N 355.482 3.858 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)N=N1 2325892615 UJYGBKKZGMAQGV-SFHVURJKSA-N 369.465 3.525 30 50 FHEA N#Cc1c(-c2cnn(-c3ccc(F)cc3)c2)cc(-c2ccccn2)nc1N 67855731 YXLBMPUKYPTLPK-UHFFFAOYSA-N 356.364 3.589 30 50 FHEA CC(Nc1nc(C)c(Br)c(C)n1)=C1C(=O)c2ccccc2C1=O 2380725 JVVWGQRZZKUZQR-UHFFFAOYSA-N 372.222 3.621 30 50 FHEA Oc1nc(N/N=C/c2c(Cl)cccc2Cl)nnc1-c1ccccc1 33377587 ALAICRABIBNBPB-DJKKODMXSA-N 360.204 3.997 30 50 FHEA COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1ccc(F)cc1 5648646 PNDLRHQYDPKQBF-KEBDBYFISA-N 372.425 3.858 30 50 FHEA COc1ccc(CCNC2=CC(=O)C[C@@H](c3ccccc3)C2)cc1OC 4726007 BOQQABBLHPYUEI-SFHVURJKSA-N 351.446 3.867 30 50 FHEA C#CCOc1ccc(F)cc1NCc1nnc(-c2ccccc2OC)o1 133995467 PUAXTQTZWDJARK-UHFFFAOYSA-N 353.353 3.508 30 50 FHEA CC(C)(C)c1ccc(-c2nc(SCC(N)=O)c(C#N)c3c2CCC3)cc1 1384191 BXRWXJCDFZOJSZ-UHFFFAOYSA-N 365.502 3.984 30 50 FHEA Cn1nc(C(=O)Nc2sc3c(c2C#N)CCC3)c(Cl)c1C(F)(F)F 2776731 OILHSZJQUNAHGY-UHFFFAOYSA-N 374.775 3.766 30 50 FHEA CCOc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1OC 1473748 IQFOHRXBCFHWEQ-XDHOZWIPSA-N 354.435 3.897 30 50 FHEA Cc1ccc(NC(=O)[C@@H]2CCCN(c3cc(Cl)ccc3C#N)C2)nc1 301288736 SATVDEMETXGESN-OAHLLOKOSA-N 354.841 3.770 30 50 FHEA CC(C)=CC[C@H](OC(=O)CC(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 1580028 UTOUNDHZJFIVPK-KRWDZBQOSA-N 372.417 3.717 30 50 FHEA biogenic C#CCCC1(CCNC(=O)c2cccc(C(=O)Nc3ccccc3)c2)N=N1 2325893606 JDHMMGATOPLFCT-UHFFFAOYSA-N 360.417 3.634 30 50 FHEA CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 815968 CZRVGCRQSCQRJX-GOSISDBHSA-N 356.491 3.729 30 50 FHEA C=CCOc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 2573268 IJSZPZOBXQWWNI-WSDLNYQXSA-N 365.458 3.784 30 50 FHEA N/C(Cc1cccc2ccccc12)=N\OC(=O)CSc1ccccc1 4978463 WQRIJFDIVLAEFU-UHFFFAOYSA-N 350.443 3.990 30 50 FHEA Cc1nc(O)c(C#N)cc1C(=O)N1CCCC[C@@H]1CCc1cccs1 77522940 BTOUGDXXYOCMGP-OAHLLOKOSA-N 355.463 3.656 30 50 FHEA N#Cc1ccccc1-c1ccc(CN2CCC(N3CCSCC3)CC2)o1 215560616 ZENHFTGKQPTOBE-UHFFFAOYSA-N 367.518 3.831 30 50 FHEA C#CCCC1(CCC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)N=N1 888096254 PBQVTABXNLEALO-OAHLLOKOSA-N 358.873 3.638 30 50 FHEA CC(C)(O)CCc1ccc2c(c1)CCN(Cc1cc(F)cc(C#N)c1)C2 2325867673 BUJUDMBOYOORDW-UHFFFAOYSA-N 352.453 3.959 30 50 FHEA Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)F)cc1 2565358 NVBRUIASHQWABC-UHFFFAOYSA-N 354.243 3.533 30 50 FHEA CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O 3784120 HIFJCPQKFCZDDL-GBSCXWAGSA-N 360.494 3.541 30 50 FHEA fda CC(=O)c1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1 4981568 LHWMZYSGGUNHHF-UHFFFAOYSA-N 360.413 3.688 30 50 FHEA Cc1ccn(CCn2ccc(-c3cccc(-c4ncccc4C#N)c3)n2)n1 19229222 OZJIIRBFEPDKDG-UHFFFAOYSA-N 354.417 3.689 30 50 FHEA CCO[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C12CCOCC2 302295616 XKWWWDUPDZWHCH-CVEARBPZSA-N 354.372 3.963 30 50 FHEA C[C@H](Cc1ccsc1)NC(=O)N1CCC(C#N)(c2ccccc2)CC1 426488192 JJARGLAAWRQQPA-MRXNPFEDSA-N 353.491 3.946 30 50 FHEA CC(C)C[C@@H](C)C(=O)NCC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 2325866918 DXZORTZDTLVPJB-UYAOXDASSA-N 355.526 3.959 30 50 FHEA C=CCn1c(SCc2ccccc2C#N)nc(C(F)(F)F)cc1=O 1403054 SWGRJLREGIQKME-UHFFFAOYSA-N 351.353 3.612 30 50 FHEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 19639095 YFNUASCVUTVBDU-LJQANCHMSA-N 369.461 3.948 30 50 FHEA C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1cccc(C#N)c1 170645014 KIXAKDDDIWQURG-DJJJIMSYSA-N 371.387 3.681 30 50 FHEA CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc(C#N)ccc2F)CC1 369236253 MTWBTBMYXOSLED-NRFANRHFSA-N 357.473 3.700 30 50 FHEA CC(=O)ON(C(C)=O)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 1230163 LOQIKFRPCANWIT-UHFFFAOYSA-N 365.364 3.781 30 50 FHEA COc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)c1OC 6675595 DMUWFAAHBNHWFJ-UHFFFAOYSA-N 374.853 3.787 30 50 FHEA O/C(=N/[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cc(F)cc2nn[nH]c12 328666311 ZUSMANACWZLWKA-OAHLLOKOSA-N 368.416 3.791 30 50 FHEA CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccc(F)cc1 1184999 HIOFJFCKMZLQLI-NUGSKGIGSA-N 374.803 3.931 30 50 FHEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 5646493 HDTQQLALTYIKID-NRFANRHFSA-N 373.456 3.997 30 50 FHEA Cc1cc(CN2CCc3cc(O)c(Br)cc3C2)ccc1C#N 2325868180 RFYCLYJLIZWYAZ-UHFFFAOYSA-N 357.251 3.893 30 50 FHEA COc1ccccc1N1CCN(/N=C\c2c(O)ccc3ccccc23)CC1 4482743 ROCGVCRBDSXIBN-KQWNVCNZSA-N 361.445 3.710 30 50 FHEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2cccc(C)c2)cc1 6876095 QDQVMKKWIZFWII-XDHOZWIPSA-N 353.451 3.519 30 50 FHEA C=CCOc1ccccc1CN[C@@H]1CCCc2c1cnn2-c1ccccn1 12305433 VDUPYMWVHGAJIW-LJQANCHMSA-N 360.461 3.999 30 50 FHEA CCCN(CC#Cc1ccccc1)Cc1ccc(Sc2nncn2C)o1 55253171 XIVWTVDQPLLYHE-UHFFFAOYSA-N 366.490 3.823 30 50 FHEA N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H](O)Cc1ccccc1 225819621 HPKCONFDAXZNGK-CYBMUJFWSA-N 357.335 3.539 30 50 FHEA Cc1ccc(S(=O)(=O)OCCOc2ccc(Br)cc2)cc1 230549426 LIGLEAWKEMUFRF-UHFFFAOYSA-N 371.252 3.542 30 50 FHEA CC1CCN(c2ccc(/C(O)=N/Cc3ccc4c(c3)COC4)cn2)CC1 330314402 XVVZRVKWJLOBOG-UHFFFAOYSA-N 351.450 3.853 30 50 FHEA CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 363570288 XEBOGGISFOGAKB-VQTJNVASSA-N 362.433 3.949 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1 836106 ZPDBCSBRGPFHKZ-INIZCTEOSA-N 372.218 3.938 30 50 FHEA Fc1cccc(Oc2ncccc2CN=C2NC[C@@H](c3ccccc3)N2)c1 2325878638 WRIWRNCCEBYDKF-IBGZPJMESA-N 362.408 3.803 30 50 FHEA COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc(OC)c1O 3904869 HQNCECFVELIWLJ-HXUWFJFHSA-N 366.417 3.995 30 50 FHEA CCc1c(C#N)c(N)nc(SCC(=O)c2cc(C)c(C)cc2C)c1C#N 20387299 MHZUPQCOKOQBFR-UHFFFAOYSA-N 364.474 3.870 30 50 FHEA CCC1(CC)[C@@H](NC(=O)c2cccc(C#N)c2Br)C[C@H]1OC 332499676 ZYHNXVVDNWHQOT-UONOGXRCSA-N 365.271 3.644 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)N=N1 1875382289 XESVMLDEUKFQDX-ZDUSSCGKSA-N 369.400 3.717 30 50 FHEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccnc2)o1 796007 NXVPISHGIGILFV-IBGZPJMESA-N 374.396 3.762 30 50 FHEA O=C(OCC#CCSc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 2195036 OHUFWAVESAZFAP-UHFFFAOYSA-N 368.370 3.689 30 50 FHEA N#Cc1c(NC(=O)N(CCO)Cc2ccccc2)sc2c1CCCC2 6754737 IIWQBGWGLXIZGM-UHFFFAOYSA-N 355.463 3.525 30 50 FHEA C=CCOc1ccc(C(=O)N[C@H](C)Cc2ncccc2C)cc1OCC 55073741 GYEWUHULHKCJDJ-MRXNPFEDSA-N 354.450 3.715 30 50 FHEA COc1cc2c(cc1-c1cc(-c3ccco3)nc(N)c1C#N)OCCCO2 67714149 IGAXBEMYCUGLQY-UHFFFAOYSA-N 363.373 3.632 30 50 FHEA N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccccc1Cl 170623823 LPKNVZDLIQPBNR-UHFFFAOYSA-N 358.806 3.841 30 50 FHEA Cc1ccc(CN=C2N[C@H](C)[C@H]([C@@H](O)c3ccccc3)N2)c2ccccc12 1875349058 LLGBWYXASCTWQN-HVETUWLQSA-N 359.473 3.688 30 50 FHEA Cc1c(-c2ccccc2)[n+](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccn12 12436439 WRUDJSLUEQSFQF-UHFFFAOYSA-N 372.404 3.993 30 50 FHEA COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1 5376885 KOXDXOQPORECKU-GDNBJRDFSA-N 356.378 3.504 30 50 FHEA C#CCCC1(CCC(=O)N2CC(C)(C)[C@H]2c2nccn2CC2CC2)N=N1 952881475 OKLZQMXHTULQEV-QGZVFWFLSA-N 353.470 3.558 30 50 FHEA C#CCCC1(CCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)N=N1 952880984 JIAXOPRHTUDFRE-SFHVURJKSA-N 372.900 3.949 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccco1 170615236 QDCJHQLVMWQXPC-FXAWDEMLSA-N 370.401 3.616 30 50 FHEA O[C@@H](c1ccccc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 2592855 DCYBJXGGLMLHFT-WRWORJQWSA-N 354.168 3.915 30 50 FHEA COc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)cc2F)c1 4998659 KEDZSEXXUQZGSI-UHFFFAOYSA-N 353.397 3.949 30 50 FHEA O/C(=N/[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC[C@@H](n2cncn2)C1 328605123 JFRJMHKHUGNGOF-HSALFYBXSA-N 361.449 3.538 30 50 FHEA C=CCc1cc(C(=O)N2CCC(OCc3ccccn3)CC2)ccc1OC 220754738 LKIPAXVXDITDDZ-UHFFFAOYSA-N 366.461 3.640 30 50 FHEA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cccc(-c2ncccc2C#N)c1 426399082 UJPOZEXXHCFMAC-UHFFFAOYSA-N 373.460 3.665 30 50 FHEA COCCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(C#N)c1 96136858 WHSONXRLFJSSJB-UHFFFAOYSA-N 367.449 3.946 30 50 FHEA C#CCCC1(CCC(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)N=N1 952880784 LSZQQOXUTUSNFO-QGZVFWFLSA-N 363.465 3.691 30 50 FHEA CCNC(=S)N(CCCNC1=CC(=O)CC(C)(C)C1)C1CCCCC1 4702205 FUUDUDLVBBXMIM-UHFFFAOYSA-N 365.587 3.768 30 50 FHEA Cc1ncsc1-c1cc(-c2cccn2-c2ccncc2)c(C#N)c(N)n1 71708150 XHPWAGDNUWQRLB-UHFFFAOYSA-N 358.430 3.820 30 50 FHEA C=CCN(Cc1ccccc1OC)C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101203992 DELIXYSGLRQHRW-YUOVDFJASA-N 369.505 3.931 30 50 FHEA N#Cc1ccc(C[C@H]2CCCN(Cc3cc4c(s3)CCNC4)C2)cc1 2325868855 NIYBDXCDSJMHGC-GOSISDBHSA-N 351.519 3.720 30 50 FHEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 2801443 ACMKZIKGKBAYMZ-LJQANCHMSA-N 355.434 3.616 30 50 FHEA O/N=C(\CCCN1CC[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 4811705 YHUSZJFVJPKOKC-VKQKAZQBSA-N 366.461 3.906 30 50 FHEA N/C(=N\OC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 4845278 FREOXDKIGUGACF-UHFFFAOYSA-N 368.396 3.774 30 50 FHEA C=CCn1cc(CN2CCc3[nH]cnc3[C@H]2c2ccc(Cl)s2)cn1 67803909 XDLVFKAWWZWADP-QGZVFWFLSA-N 359.886 3.655 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)O3)C1=O 218412258 YLMTZBVMKKQZQA-AWEZNQCLSA-N 365.341 3.905 30 50 FHEA CN(Cc1ccc([S@](C)=O)cc1)c1cc(C#N)ccc1C(F)(F)F 128040940 MLHOJGCLSFUMGY-XMMPIXPASA-N 352.381 3.951 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc3c2cc(C)n3C(=O)OC)N=N1 1875387422 HRXULUVEIIGSSS-UHFFFAOYSA-N 352.394 3.858 30 50 FHEA CCOc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1O 19790547 DFLGMQSIIWEGOA-HYARGMPZSA-N 373.884 3.596 30 50 FHEA Cc1ccc(N2CCC[C@H](/N=C(/O)C3C4CC5CC(C4)CC3C5)C2)nn1 329638978 YYDRDQAAAAKRFX-RJFAQORQSA-N 354.498 3.783 30 50 FHEA C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 2093913 JVYGLSXMWQMVFI-HNNXBMFYSA-N 354.475 3.863 30 50 FHEA CCOc1ccc(-c2nnc(S)n2N/N=C/C(C)=C/c2ccco2)cc1 2544583 NCTCUHNHEZMCGB-SZFRVYISSA-N 369.450 3.858 30 50 FHEA C=CCNC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCCC2 2677507 WNSUZDHUABZCSN-UHFFFAOYSA-N 370.474 3.804 30 50 FHEA CC1(C)OB(c2cc(F)c(C3OC(C)(C)C(C)(C)O3)cc2F)OC1(C)C 169747248 WEMULLSAPSGPPD-UHFFFAOYSA-N 368.229 3.867 30 50 FHEA CCc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)c(C#N)c1CC 302371686 GPQVQTWHSCBJAX-SFHVURJKSA-N 374.847 3.843 30 50 FHEA N#C[C@H]1CCCN(C(=O)c2cccc(-c3ccc(Cn4ccnc4)cc3)c2)C1 426698501 WCVBUUOYCUMNRM-LJQANCHMSA-N 370.456 3.974 30 50 FHEA O/N=C(\CCCN1CC[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 4811706 YHUSZJFVJPKOKC-YFJJEWJYSA-N 366.461 3.906 30 50 FHEA C=CCOc1c(Cl)cc(CN[C@@H](CC)c2ncnn2C)cc1Cl 55225420 IDBDBIZIKQAZSM-AWEZNQCLSA-N 355.269 3.928 30 50 FHEA CC1(C)C[C@H](/N=C(/O)N[C@H]2c3ccccc3C[C@H]2O)c2ccc(F)cc2O1 330155948 YNJQLAHZSZJPIO-SCTDSRPQSA-N 370.424 3.590 30 50 FHEA C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC 217671590 GDKLOAODGZFEAV-CQSZACIVSA-N 368.385 3.820 30 50 FHEA biogenic N#Cc1c(-c2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(Cl)cc2)[nH]c1=O 95921851 QYVXKBJZGCPSQP-UHFFFAOYSA-N 367.752 3.614 30 50 FHEA CCOC(=O)c1ccc(CSc2nc(C)cc(COC)c2C#N)cc1 13281408 QQQZPAWYNGIINH-UHFFFAOYSA-N 356.447 3.877 30 50 FHEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(F)cc1 7720301 FUNWJQGFRZSZKL-UHFFFAOYSA-N 367.380 3.713 30 50 FHEA C=CCn1cc(-c2c(C)c([C@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 67868351 ZQFUGFHERDTQME-AWEZNQCLSA-N 351.454 3.566 30 50 FHEA C=CCn1cc(CN2CCO[C@H](Cc3cccc4ccccc34)C2)c(C)n1 71752016 FLJGUEXOKXJIJZ-JOCHJYFZSA-N 361.489 3.974 30 50 FHEA C=CCc1cccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)c1O 2389716 HDFFVKRDGYAKET-RGVLZGJSSA-N 354.410 3.689 30 50 FHEA Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1ccc(O)cc1Cl 2597962 KRVLTSGNCJHNCY-UHFFFAOYSA-O 351.760 3.874 30 50 FHEA C=C(C)COc1ccccc1C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 55036616 JDYCNVYYDJQRSO-NRFANRHFSA-N 374.444 3.548 30 50 FHEA CC(C)(O)CCc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1 72425285 GKHOIUHEASLDHV-UHFFFAOYSA-N 363.505 3.584 30 50 FHEA Cc1c(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 1806164 HUADMVQNJRNFTL-VZUGOBIKSA-N 362.389 3.808 30 50 FHEA O=C(/C=C/c1csc(Br)c1)c1cnnn1-c1ccccc1 253424221 BXXHRPGRUXSPEZ-VOTSOKGWSA-N 360.236 3.987 30 50 FHEA Cc1cc(F)ccc1[C@@H]1CCCN1S(=O)(=O)CC1(C#N)CCCC1 331605349 VRFMLJLOSAZSFZ-KRWDZBQOSA-N 350.459 3.685 30 50 FHEA C[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H](O)C=CC1=O 71769381 SRVMANVGDMJQHJ-MSOLQXFVSA-N 359.219 3.805 30 50 FHEA CC(C)[C@H]1CN(c2cccc(C#N)n2)CCCN1Cc1ccc(F)cc1 71752412 BFMVJFKKEPBNHM-HXUWFJFHSA-N 352.457 3.829 30 50 FHEA C=CCCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 11767581 BWSAJMIPUSODEU-GOSISDBHSA-N 353.466 3.977 30 50 FHEA O=c1c2ccccc2nc(N/N=C/c2cccc(F)c2)n1-c1ccccc1 5775940 LSBZTANMWJGGCN-OEAKJJBVSA-N 358.376 3.971 30 50 FHEA O=C(c1ccc(-n2cnnc2)cc1)N(CC#Cc1ccccc1)C1CCCC1 55099698 YDKKICXZALNSRD-UHFFFAOYSA-N 370.456 3.704 30 50 FHEA O=C1C[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914691 BTAMLTLRATZKSX-WMLDXEAASA-N 353.368 3.969 30 50 FHEA C=CCN1C(=O)/C(=C2\SC(=S)N(CCCC)C2=O)c2ccccc21 2276890 QGYDPHMFVIYKBT-PFONDFGASA-N 358.488 3.591 30 50 FHEA C=C(C)CN(CC)C(=O)c1coc(COc2cccc3cnccc23)n1 12226678 XJIHZNSLYNFQAC-UHFFFAOYSA-N 351.406 3.840 30 50 FHEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCc1ccccc1 17862017 WIYKBHTUYLVICM-UHFFFAOYSA-N 361.470 3.565 30 50 FHEA Cc1c(NC2=CC(=O)C[C@@H](c3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 5211996 WCEQSDJAWZLMDA-SFHVURJKSA-N 373.456 3.927 30 50 FHEA CSCC[C@@H](N=C1NC(C)(C)Cc2c1ccc1ccccc21)C(=O)O 6241320 UEDSXOZPVBHISN-QGZVFWFLSA-N 356.491 3.717 30 50 FHEA COc1ccc([C@@H]2CN(Cc3ccc(C#N)cc3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95360224 VFZZPEPLXGVQGF-RBZQAINGSA-N 373.500 3.629 30 50 FHEA N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)cc1 849547 ZOXFXPZJXICCBF-OALUTQOASA-N 362.385 3.956 30 50 FHEA COc1cccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1OC(C)C 4488920 SIGDUXUNSUGWJQ-CQSZACIVSA-N 357.450 3.729 30 50 FHEA Cc1ccc(CN2CCN(/N=C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 19879176 PXQDVFXXMVKPRB-MDWZQWPHSA-N 364.449 3.720 30 50 FHEA O=C(/C=C/c1ccccc1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100469279 CSVYPIWJKSQCLC-GXJVKSPQSA-N 369.420 3.894 30 50 FHEA N#Cc1c(N)nc2c(c1-c1ccc([C@H]3CCCCO3)o1)N1CCC2CC1 102180088 ZCJWKBSINCUPPV-CQSZACIVSA-N 350.422 3.734 30 50 FHEA CC(=O)O[C@@H]1C[C@@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]21 257348371 FAGOJCSZVVRBFD-CKNAKSQOSA-N 374.477 3.602 30 50 FHEA C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)CCC(=O)O 257356517 IRQUJNVGEAJGSD-LBCLVRHKSA-N 374.477 3.905 30 50 FHEA CC1(C)OB(c2cccc(NC(=O)Nc3ccccc3F)c2)OC1(C)C 382646750 ZKBDDSJVIQUDAX-UHFFFAOYSA-N 356.206 3.769 30 50 FHEA Cc1ccsc1[C@@H]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1O 65393564 IJYJHGJVEQBBMZ-WOJBJXKFSA-N 369.530 3.529 30 50 FHEA O=C1C=C(c2ccccc2)C[C@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1 1056514 YEFOINVAAQTTLT-MJGOQNOKSA-N 360.373 3.568 30 50 FHEA CCCC(=O)C1=C(N(C)c2ccccc2)CC(C)(C)[C@@H](C(=O)OC)C1=O 1234019 SRSDGAYLPAGFRJ-GOSISDBHSA-N 357.450 3.534 30 50 FHEA N/C(Cc1ccc(Cl)c(Cl)c1)=N\OC(=O)c1ccc([N+](=O)[O-])cc1 4978199 HYDKYAVDVXQMKF-UHFFFAOYSA-N 368.176 3.573 30 50 FHEA CC(C)c1nccn1[C@H](C)C(=O)N1CCC(C#N)(c2ccccc2)CC1 65397529 JEHBVYGDBAMWCU-QGZVFWFLSA-N 350.466 3.651 30 50 FHEA C[C@@H]1CCCN(c2ccccc2OS(=O)(=O)Cc2cccc(C#N)c2)C1 170623183 GAVNUXDURRUGLU-MRXNPFEDSA-N 370.474 3.703 30 50 FHEA C=C(C)CN(CC)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12710879 MIBWVZPOUSWRMI-UHFFFAOYSA-N 366.465 3.693 30 50 FHEA C/C(=N\N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 5605497 FXYHXEXLGWXHTD-HMMYKYKNSA-N 358.283 3.995 30 50 FHEA Cc1cc(Cn2nnc(/C(O)=N/[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2C)on1 330278257 PJUUTAYJHCVOJL-ARFHVFGLSA-N 357.458 3.595 30 50 FHEA Cc1ccc(S(=O)(=O)N/N=C2/COCCC=C(c3ccccc3)C2)cc1 43761598 OZCLEKSHZDJVBC-LTPVTLTISA-N 370.474 3.523 30 50 FHEA CC#CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1Cl 1875378534 FQZPAZMTJFMQHP-ZDUSSCGKSA-N 371.264 3.699 30 50 FHEA CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C)CC1 5918885 XMWGPBDATLLXFC-UHFFFAOYSA-N 361.493 3.762 30 50 FHEA COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1O 5357189 CCYPVLNXMHQBLV-LZYBPNLTSA-N 366.171 3.518 30 50 FHEA C=CCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2cccc(OC)c2)cc1 12477565 BKUBASVYHFFKMH-HXUWFJFHSA-N 364.445 3.868 30 50 FHEA Cc1noc([C@H](C)/N=C(/O)N[C@H]2CC3(CCCC3)Oc3ccccc32)n1 330159014 QNTDSQXLZFFWDR-WFASDCNBSA-N 356.426 3.779 30 50 FHEA C=CCc1cc(CN2CCC(CN3CCOCC3)CC2)ccc1OC(C)C 820505703 XTUWFBUUQDYLAJ-UHFFFAOYSA-N 372.553 3.747 30 50 FHEA CC[C@@H](NC(=O)CC1=C(c2ccccc2)CCC1=O)c1cn2cccnc2n1 952984020 TYNYWRYNEVHREH-GOSISDBHSA-N 374.444 3.503 30 50 FHEA Cc1ccc([C@]23C[C@H]2CN(c2ccc(Br)c(C#N)n2)C3)cc1 2325867490 XPNWFGOQXUAQGJ-KBXCAEBGSA-N 354.251 3.802 30 50 FHEA C=CCC1(CC=C)CCCN1C(=O)CC(=O)Nc1cc(OC)ccc1OC 55401945 NUZOVRZQXTUKMK-UHFFFAOYSA-N 372.465 3.546 30 50 FHEA N#Cc1c(-c2cccn2-c2ccccn2)cc(-c2cccc(O)c2)nc1N 67868144 QOYXRUYJURJNRE-UHFFFAOYSA-N 353.385 3.761 30 50 FHEA N#CC1(C(=O)N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 67773840 YUNHNOPTSADBAJ-UHFFFAOYSA-N 368.820 3.737 30 50 FHEA Cc1ccc(N2CCC[C@@H](/N=C(/O)Cc3ccc4c(c3)CCCC4)C2)nn1 329585752 MHRXRITUQDYRFH-HXUWFJFHSA-N 364.493 3.832 30 50 FHEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1/C(O)=N/[C@H](C)CC1CCCCC1 329373537 JWKGIFNSROSMHQ-OQIJWPOYSA-N 352.519 3.775 30 50 FHEA N#Cc1ccccc1NC(=S)NC(=O)COc1ccc2ccccc2c1 675698 DFRIAJVQCLUPJC-UHFFFAOYSA-N 361.426 3.603 30 50 FHEA Cc1nnc(N2CCC[C@H](COc3ccccc3Cl)C2)c(C#N)c1C 158215339 JIFAGWMADTZFEV-HNNXBMFYSA-N 356.857 3.914 30 50 FHEA N#Cc1ccc(SCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 175009635 JCMQQBWCMFUFCC-UHFFFAOYSA-N 374.387 3.837 30 50 FHEA CCc1cc(C#N)ccc1NC(=O)N1CCCN(c2ccnc(C)c2)CC1 299781569 UNFFXLFBZYNKEM-UHFFFAOYSA-N 363.465 3.568 30 50 FHEA Cc1cc(C)n(CCCN(C)C(=O)c2cccc(-c3cccnc3C#N)c2)n1 299796406 MVEYCTVBIUIIJN-UHFFFAOYSA-N 373.460 3.596 30 50 FHEA N#Cc1ccc2cc(C(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)ccc2c1 1875263740 WWLRNZREROUMRI-LJQANCHMSA-N 368.795 3.967 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc12 628875 HYISLMYYKFAVGX-LJQANCHMSA-N 364.445 3.945 30 50 FHEA CSC1=N/C(=C\c2cc(OC(C)=O)ccc2Br)C(=O)S1 1117958 JOPGBTYPDKHGFE-WDZFZDKYSA-N 372.265 3.708 30 50 FHEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 17251961 XLZZRLOOWPEZAX-KRWDZBQOSA-N 371.820 3.565 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CC[C@@]1(C)CCC(=O)N1 12512961 GKBMRHIOOXQHCX-XQBPLPMBSA-N 352.478 3.910 30 50 FHEA Cc1cnnn1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 13731970 ZRIPVMKSWFVBPX-UHFFFAOYSA-N 363.446 3.640 30 50 FHEA OCC#Cc1csc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 65460625 DEBJJXQOLNYWFI-MRXNPFEDSA-N 352.459 3.613 30 50 FHEA CN(Cc1cccc2cnccc12)C(=O)c1ccc(C#CC(C)(C)O)cc1 217191237 AQOASAYZJSJZSJ-UHFFFAOYSA-N 358.441 3.629 30 50 FHEA CCc1c(C(=O)[C@H](C#N)c2ccc(F)cn2)nnn1-c1cccc(Cl)c1 225441319 SUOGDPFPUUESSW-CQSZACIVSA-N 369.787 3.507 30 50 FHEA CCOc1cc(CO)cc(Br)c1OCc1ccccc1C#N 1119257 IUHAZZQKZWHOLY-UHFFFAOYSA-N 362.223 3.791 30 50 FHEA CC1=C(C(=O)N2CCCCC2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 1125227 UJPKCEBZOLMXRZ-IBGZPJMESA-N 356.491 3.729 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@@H]1c1ccc(Cl)cc1 4870812 JEUXUOWDBVHTKH-MRXNPFEDSA-N 371.776 3.527 30 50 FHEA Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 136120737 KADXIEVUTMPVRW-IBGZPJMESA-N 362.820 3.923 30 50 FHEA N#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1 671010 FGHQBYHTCOSPMT-UHFFFAOYSA-N 366.380 3.935 30 50 FHEA N#Cc1c(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)sc2c1CCCC2 780308 GTIYDDYACYJWJM-ZDUSSCGKSA-N 371.506 3.618 30 50 FHEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccccc1C 7720158 VEEYPFAUMYTCPM-UHFFFAOYSA-N 363.417 3.882 30 50 FHEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 100435675 FVOXFBOLMBDHFI-IBGZPJMESA-N 355.434 3.703 30 50 FHEA C=C(C)COc1cccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1 55119107 FUQCTMDMXCTHQZ-UHFFFAOYSA-N 351.446 3.765 30 50 FHEA COCc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1OC 67819225 GBBCAMRZWIOOFR-UHFFFAOYSA-N 361.401 3.730 30 50 FHEA O=C(C/N=C(/O)N1CCC[C@H]1c1ccsc1)N1CCCc2ccccc21 328816461 ORFLCMAJXANBHI-SFHVURJKSA-N 369.490 3.778 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC 865501 CNIRCXQRNBPBCH-LJQANCHMSA-N 355.434 3.616 30 50 FHEA CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 21982948 HIFJCPQKFCZDDL-KKGOZDOLSA-N 360.494 3.541 30 50 FHEA in-vitro C=CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 1803471 XTNPDALGDVOCLE-HXUWFJFHSA-N 368.502 3.712 30 50 FHEA Cc1ccc(/C(N)=N/OC(=O)COc2ccc(Cl)cc2Cl)cc1 4682081 INWIBUJXLQNCIU-UHFFFAOYSA-N 353.205 3.544 30 50 FHEA C=CCN(CC#Cc1ccccc1)[C@H](C(=O)O)c1cc(C)c(OC)c(C)c1 55369735 OTZMUWLCGCFUHE-NRFANRHFSA-N 363.457 3.977 30 50 FHEA N#Cc1c(-c2cnc(NCc3ccccc3)nc2)cc(-c2ccc[nH]2)nc1N 71764041 BIPATGBNHGFTAC-UHFFFAOYSA-N 367.416 3.600 30 50 FHEA CCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(-c3ccccc3C#N)o1)C2 91602895 UZOZVDKIIUJGEQ-ZWKOTPCHSA-N 363.461 3.651 30 50 FHEA N#Cc1ccnc(N2CCC(NCc3cccc(C(F)(F)F)c3)CC2)c1 95506885 VVCKRVWRTINPAM-UHFFFAOYSA-N 360.383 3.731 30 50 FHEA COc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c(OC)c1 244893091 YVNKNGTUTNHGAQ-UHFFFAOYSA-N 373.884 3.509 30 50 FHEA Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c(S)nnc1-c1ccccc1 9356924 OVKQCESWTWXCJU-FYJGNVAPSA-N 374.473 3.919 30 50 FHEA O=C1CC(c2ccccc2)CC(=O)C1=CNCCc1c[nH]c2ccccc12 100639439 CHOUQNSTFGJCGU-UHFFFAOYSA-N 358.441 3.900 30 50 FHEA C=C(C)COc1ccccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 55403831 IOCLNUSXARSGRI-IBGZPJMESA-N 366.461 3.858 30 50 FHEA CC(C)c1n[nH]c2c1CN(C(=O)c1cccc(-c3ccc(C#N)nc3)c1)CC2 426594772 DIFJRARRBYCTPL-UHFFFAOYSA-N 371.444 3.665 30 50 FHEA CO[C@@H]1CCC[C@@H](CC(=O)N[C@H](C#N)c2cccc(Br)c2)C1 279773045 KJVGIOIIBGMPIO-DAXOMENPSA-N 365.271 3.725 30 50 FHEA C=CCC1=C[C@](OC)(/C(C)=C/c2ccc3c(c2)OCO3)C(OC)=CC1=O 18103090 AOZTYYBGNNXAOI-PBAKHKOTSA-N 354.402 3.819 30 50 FHEA biogenic,in-vitro Fc1ccc(Br)cc1/C=N/n1c(-c2ccco2)n[nH]c1=S 5522346 AHLGJVTZKGSQHC-FRKPEAEDSA-N 367.203 3.984 30 50 FHEA COc1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc1OC 5433069 ORCGVIBERTZPBK-VXLYETTFSA-N 358.398 3.646 30 50 FHEA C=CCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 2974244 BMNSHXNDZDUNPW-UHFFFAOYSA-N 358.438 3.934 30 50 FHEA C=CCN(CCSc1ccccc1)C(=O)c1ccc(-n2cnnc2)cc1 55392912 YEUBDLCFHJCRIM-UHFFFAOYSA-N 364.474 3.688 30 50 FHEA CCCCCCN1CC2(CCN(C(=O)c3ccccc3C#N)CC2)OC1=O 77344289 ZRELYFGDHSKUBG-UHFFFAOYSA-N 369.465 3.566 30 50 FHEA CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 254612785 XPJSYVSOPZVTNB-ZVLKMEQASA-N 360.494 3.811 30 50 FHEA C=CCCO[C@@H](C)C(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 952892436 NNGOSSXMYUKXKQ-KRWDZBQOSA-N 367.493 3.764 30 50 FHEA Cc1c(/N=C/c2ccc(Br)o2)c(=O)n(-c2ccccc2)n1C 1107478 WZMPZOMKYIGHBD-VCHYOVAHSA-N 360.211 3.591 30 50 FHEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C 225495902 CSODFZYEAZQUPE-RDTXWAMCSA-N 359.857 3.545 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccs1 8973534 NVHALUAPJQSMDJ-INIZCTEOSA-N 351.427 3.880 30 50 FHEA C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1-c1ccc(C)cc1 122480557 GERPQDQCQJASDY-QGZVFWFLSA-N 364.474 3.758 30 50 FHEA CC(C)CCn1ncc(N=C(O)N2CC[C@@H](c3cnn(C)c3)C2)c1C(C)C 330191342 WZGJMFGWLQACQU-MRXNPFEDSA-N 372.517 3.821 30 50 FHEA CN1C[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 95507357 SQOVOUXOQLFGQI-OAQYLSRUSA-N 359.473 3.652 30 50 FHEA COc1ccc(C(=O)/C(C=O)=N\Nc2ccc(C(F)(F)F)cc2)cc1 100338288 DLSRPJKOYNVQAZ-JCMHNJIXSA-N 350.296 3.564 30 50 FHEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)C2=C(CCCC2=O)N1 19790806 OCZZQEAKCBNXFM-FQEVSTJZSA-N 366.461 3.925 30 50 FHEA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1nc2c(cc1C#N)CCC2 2325708728 MBEBYSBAMAJSCG-DKSSEZFCSA-N 355.482 3.858 30 50 FHEA C[C@H](c1cccc(Br)c1)S(=O)(=O)Cc1ccccc1C#N 134456131 DQIADFGQYPVZOW-GFCCVEGCSA-N 364.264 3.997 30 50 FHEA O=C(/C=C\c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccccc1 100327333 RKZOLUFQUQJXJG-RIIMUNRMSA-N 369.420 3.894 30 50 FHEA COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 4915495 YVQQDLFGTUXOPL-MAUKXSAKSA-N 365.404 3.839 30 50 FHEA O=C1C[C@H](c2cccnc2)c2c(ccc3c2O/C(=C\c2ccco2)C3=O)O1 253409220 LNYMNCSNEKIYJD-GESOSKEOSA-N 359.337 3.732 30 50 FHEA biogenic C#CCCC1(CCC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)N=N1 952882255 SUTHQUULAWDYTR-UYAOXDASSA-N 353.466 3.968 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cc(OC)cc(OC)c1 170618290 ZHORSRSJWUTTPD-XLIONFOSSA-N 370.401 3.616 30 50 FHEA O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(I)cc1 5061655 KYRLMIXZFNCBMW-FNORWQNLSA-N 369.114 3.689 30 50 FHEA N#Cc1c(N)nc2sc3c(O)cc(=O)[nH]c3c2c1-c1ccc(Cl)cc1 18182671 PTVFENXNARYNMA-UHFFFAOYSA-N 368.805 3.618 30 50 FHEA CSC1=N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)S1 4660068 XNCZGEYURXSUGJ-WAPJZHGLSA-N 358.238 3.511 30 50 FHEA COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 708607 HSIJOFKEJKJYRQ-UHFFFAOYSA-N 356.447 3.697 30 50 FHEA COc1cc([C@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)ccc1O 8996170 FNVGSOFWHKUKOL-IBGZPJMESA-N 373.408 3.702 30 50 FHEA OC(=Nc1ccc(OC2CCCC2)nc1)N1CC[C@@H](C2CCOCC2)C1 328865092 WIUFFDBWTOCZQC-MRXNPFEDSA-N 359.470 3.697 30 50 FHEA C=C[C@H]1CCCCN1C/C(O)=N/C1CCN(C(=O)C2CCCCC2)CC1 330202327 ZDQUQNFSVAKUBF-IBGZPJMESA-N 361.530 3.555 30 50 FHEA Cc1ccc(-c2cc(-c3cccc(OCCN(C)C)c3)c(C#N)c(N)n2)nc1 71762657 CYOGEQSPFLTLLZ-UHFFFAOYSA-N 373.460 3.513 30 50 FHEA COc1cc(OC)c2cc(CN[C@@H]3CCc4cc(C#N)ccc43)cnc2c1 1875263129 XCYIXDOHVKCGKA-HXUWFJFHSA-N 359.429 3.901 30 50 FHEA Cc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1 1101082 KYIFWUUWPAIDTB-CNHKJKLMSA-N 363.240 3.975 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CC[C@]1(C)CCC(=O)N1 12512955 GKBMRHIOOXQHCX-DXIQSLLYSA-N 352.478 3.910 30 50 FHEA O=S(=O)(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1217757 KECCQMWPHYOBBR-CAOOACKPSA-N 363.653 3.959 30 50 FHEA CC1(C)CC(=O)C=C(NCC2CCN(C(=S)Nc3ccccc3)CC2)C1 4786069 IARXEOVONHCPPF-UHFFFAOYSA-N 371.550 3.958 30 50 FHEA CC[C@@H](CO)N(Cc1ccsc1)Cc1ccc(C#CC(C)(C)O)s1 55168942 WQUZANRATFBZPD-INIZCTEOSA-N 363.548 3.705 30 50 FHEA Cc1cnccc1CN(C)Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1 65417820 MCMIAQABJDSLSG-UHFFFAOYSA-N 371.444 3.541 30 50 FHEA O/C(=N/[C@H]1CCO[C@@H]1c1cncc(Br)c1)[C@@H]1C[C@H]1C1CC1 329173964 LARWKVBCLREFII-LJISPDSOSA-N 351.244 3.677 30 50 FHEA Cc1cc(C)cc(C[C@@H](C)/N=C(/O)NC2CCN(c3nccs3)CC2)c1 329324144 HXJXZJVGUXDEJD-MRXNPFEDSA-N 372.538 3.864 30 50 FHEA N#Cc1ccc(N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc1 92021178 GIZAXUAMNYLZDM-MRXNPFEDSA-N 351.360 3.907 30 50 FHEA Cc1ccc(NC(=O)[C@H]2CCCN(c3cc(Cl)ccc3C#N)C2)nc1 301288734 SATVDEMETXGESN-HNNXBMFYSA-N 354.841 3.770 30 50 FHEA CCO/N=C(\OC(=O)c1ccccc1)c1c(OC)ccc(Cl)c1OC 2516082 BZMIHNKNQJJVRO-JZJYNLBNSA-N 363.797 3.912 30 50 FHEA in-vitro Cc1cccc(C(C)C)c1NC(=O)C(=O)[C@H](C#N)c1ccc(CC#N)cc1 1613714 AAORHZIFJAUAMD-LJQANCHMSA-N 359.429 3.999 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccn1 2336070 IBIOBGZIZACDOT-UHFFFAOYSA-N 365.462 3.565 30 50 FHEA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1 14971537 JTMIARIHHMITKI-SFHVURJKSA-N 351.833 3.813 30 50 FHEA O=C1C(Cl)=C(NC2CCCCC2)C(=O)C(Cl)=C1NC1CCCCC1 100724430 WKGLPASXRUDAPE-UHFFFAOYSA-N 371.308 3.884 30 50 FHEA O=C(NOC(=O)c1ccccc1Br)c1ccc(Cl)cc1 1186119 XBZVDYJKCJLDSB-UHFFFAOYSA-N 354.587 3.604 30 50 FHEA in-vivo C=CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 10148890 QMHWPJSTRGARKN-UHFFFAOYSA-N 364.192 3.678 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1nc(C)cs1 25695168 KNARYBUGTLPSNR-MRXNPFEDSA-N 360.479 3.619 30 50 FHEA COc1ccc(C(=O)/C=C(/Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 33317651 JIMJUMPNZIVAAK-XNTDXEJSSA-N 365.307 3.977 30 50 FHEA Cc1nc([C@@H]2CCCN(C(=O)c3cccc(-c4ccccc4C#N)c3)C2)no1 426596499 MZGLPOQYMMKCKC-LJQANCHMSA-N 372.428 3.937 30 50 FHEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(O)c2)c1 2337391 CMRLOQNQKMVVSB-YBFXNURJSA-N 354.435 3.983 30 50 FHEA CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OCc1ccccc1 13125223 WEFIGTVIYCQERC-FQEVSTJZSA-N 360.417 3.735 30 50 FHEA O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 16972758 ICZDBGCTWHNIEE-NACCWKTGSA-N 368.245 3.751 30 50 FHEA O=C1Nc2ccccc2/C1=N\N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 823853 IIIFDTSAAVUKBK-RGVLZGJSSA-N 360.329 3.630 30 50 FHEA N#Cc1ccc(N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc1 92021182 GIZAXUAMNYLZDM-INIZCTEOSA-N 351.360 3.907 30 50 FHEA Cc1cccc(-n2ncc(/C(O)=N/CC3CCN(C4CC4)CC3)c2C)c1 329944089 IELYSUBUARYSKX-UHFFFAOYSA-N 352.482 3.668 30 50 FHEA CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccco1 4083025 LUDYOKCZETWCOX-FSSWDIPSSA-N 367.445 3.987 30 50 FHEA Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(C)n1C(C)C 114441804 FLFCKLRTXQCSTP-HXUWFJFHSA-N 364.493 3.536 30 50 FHEA CN1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1ccc(-c3ccccn3)cc1)C2 67758576 BURNRLMNCHXMBD-OXJNMPFZSA-N 367.456 3.956 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)N=N1 2325892243 FXZQBTHCJCPGEF-RTWAWAEBSA-N 361.445 3.933 30 50 FHEA Cc1c(C#N)c(-c2ccc(C(=O)N3CC(C#N)C3)cc2)nc2ccccc12 2356170923 WRIOPRPPCHSBGN-UHFFFAOYSA-N 352.397 3.677 30 50 FHEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)cc2)cc1 6819606 AJVWSJMDLJFZDW-YJBOKZPZSA-N 365.404 3.839 30 50 FHEA CC(C)[C@@H]1CN(c2cccc(C#N)n2)CCCN1Cc1ccc(F)cc1 71752411 BFMVJFKKEPBNHM-FQEVSTJZSA-N 352.457 3.829 30 50 FHEA CCOc1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1 243885558 AAECBESBZOPERM-UHFFFAOYSA-N 357.885 3.890 30 50 FHEA CCN(CCn1cccn1)C(=O)c1cccc(-c2cc(C)c(C#N)c(C)n2)c1 584893764 CNRIZUJJGHYGAH-UHFFFAOYSA-N 373.460 3.596 30 50 FHEA O/C(=N\c1nc2nccc(-c3ccccc3)n2n1)C(Cl)(Cl)Cl 17180620 UZIBEUAZXWUBHA-UHFFFAOYSA-N 356.600 3.750 30 50 FHEA C#Cc1cc(Br)cc(C(=O)N2CC(C)(c3ccccc3)C2)c1 2325827297 BLWLTHDKTMRRHK-UHFFFAOYSA-N 354.247 3.844 30 50 FHEA N#Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 100340288 UGGJJIHJCXHAPQ-SLUIBLPYSA-N 356.381 3.662 30 50 FHEA C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 985949 QYCHHEOESPHTAO-NSHDSACASA-N 352.525 3.912 30 50 FHEA Cc1ccc(C(=O)C[n+]2cc(Br)cc(Br)c2)cc1 1827019 PCEGXKJZGJNHFB-UHFFFAOYSA-N 370.064 3.690 30 50 FHEA O=S(=O)(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 4366033 COMCNOSXVBTLSL-RCCKNPSSSA-N 366.442 3.578 30 50 FHEA N#Cc1c(-c2cnc(-c3ccco3)nc2)cc(-c2ccc(O)cc2)nc1N 67790636 AIISLQYHDGNHST-UHFFFAOYSA-N 355.357 3.625 30 50 FHEA Cc1ccccc1-n1cc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)cn1 71707884 ODGWCWWIIRBNKR-UHFFFAOYSA-N 352.401 3.759 30 50 FHEA COc1ccc(-c2cc(-c3ccc(O)cc3Cl)c(C#N)c(N)n2)cn1 71748679 LRIWLWRNNOCYAY-UHFFFAOYSA-N 352.781 3.632 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@H](c2cnn(C(C)C)c2)CC(=O)O3)C1=O 217644743 GSPMQPVEAKLDAZ-AWEZNQCLSA-N 352.390 3.774 30 50 FHEA biogenic N#Cc1ccc(Nc2cccc(C(=O)OCc3noc(C4CC4)n3)c2)cc1 738748781 ADYODXYRQVGCRM-UHFFFAOYSA-N 360.373 3.919 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1COCc1ccccc1 628793 KUTCMKRTWOJQHK-MRXNPFEDSA-N 369.461 3.513 30 50 FHEA Cc1nnc(C/N=C(/O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)s1 328604425 JRTCBHMRIJNJEA-VQIMIIECSA-N 356.495 3.605 30 50 FHEA C[C@H](/N=C(/O)N1CC=C(C(C)(C)C)CC1)c1cn(-c2ccccc2)nn1 328880245 KNTQSQAHLDLQLX-HNNXBMFYSA-N 353.470 3.921 30 50 FHEA C#CCO[S@@](=O)O[C@@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1 100095711 ZYHMJXZULPZUED-RHGYRFJNSA-N 350.480 3.919 30 50 FHEA biogenic,in-vitro CC1(C)OB(C2CCN(C(=O)c3ccn(C4CCCC4)n3)CC2)OC1(C)C 864235893 QLDCRPHBXCGKAV-UHFFFAOYSA-N 373.306 3.697 30 50 FHEA Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3C)S2)cc1 12682482 CXFHIAMIGKRVDC-INIZCTEOSA-N 353.447 3.551 30 50 FHEA Cc1ccc(N/C(=N\OCc2ccccc2Cl)c2nonc2N)cc1 12436458 ZWXUATONCAHTEN-UHFFFAOYSA-N 357.801 3.604 30 50 FHEA COc1ccc(-c2c(C)sc(NC(=O)/C=C(\C)C(=O)O)c2C#N)cc1 17073584 WLNWELBBMWZXHF-CSKARUKUSA-N 356.403 3.573 30 50 FHEA COc1ccc(-c2cs/c(=N\N=C(/C)c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 35653427 CTWJIFXUACMBJW-UDWIEESQSA-N 368.418 3.985 30 50 FHEA COc1cccc(OC)c1-c1cc(-c2scnc2C)nc(N)c1C#N 71751845 IHDISXFFYXOZOA-UHFFFAOYSA-N 352.419 3.652 30 50 FHEA CC1CCN(C[C@@H](O)CSc2nc(-c3ccccc3)ccc2C#N)CC1 1875258975 YVSAEKADLCNAET-LJQANCHMSA-N 367.518 3.805 30 50 FHEA CC(C)c1nccn1[C@@H](C)C(=O)N1CCC(C#N)(c2ccccc2)CC1 65397528 JEHBVYGDBAMWCU-KRWDZBQOSA-N 350.466 3.651 30 50 FHEA O=C(C/N=C(/O)NC1CCCCC1)N1CCCC[C@@H]1c1ccc(F)cc1 330085107 RGFHLQGHSZTHIE-GOSISDBHSA-N 361.461 3.716 30 50 FHEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc([C@H]2CCCCO2)o1 71765633 BKVWQYHDUGXRIN-OAHLLOKOSA-N 363.421 3.746 30 50 FHEA N#Cc1ccc(-n2cccc2-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1 71767636 VFKKLLLRZFFYAK-UHFFFAOYSA-N 350.385 3.860 30 50 FHEA Cc1ccc(CN=C2N[C@H](C)[C@H]([C@H](O)c3ccccc3)N2)c2ccccc12 1875349059 LLGBWYXASCTWQN-NPFVIJTESA-N 359.473 3.688 30 50 FHEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)o1 974265 PWJCHSLZWDNADW-AHYKXKOGSA-N 366.417 3.819 30 50 FHEA C=CCn1c(SCC(C)=O)nc2scc(-c3ccc(C)o3)c2c1=O 952466 DRPPPZKGJLSPLZ-UHFFFAOYSA-N 360.460 3.894 30 50 FHEA Cc1nc(SCC(=O)N(C)Cc2ccccc2)c(C#N)c(C)c1Cl 1424582 OLDLBTJZVSYBCE-UHFFFAOYSA-N 359.882 3.974 30 50 FHEA N#Cc1cc2c(nc1SCC(=O)Nc1cccc(F)c1)C1CCN2CC1 4707103 IPHRNAFNCHGEFM-UHFFFAOYSA-N 368.437 3.521 30 50 FHEA O=C(O)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1 4907234 WBIHRTWMBHNUSL-LFVJCYFKSA-N 373.456 3.690 30 50 FHEA Cc1ccc(S(=O)(=O)N/N=C/C2=C(Cl)c3ccccc3CC2)cc1 43761459 UCIPGHNTMLIBFN-UDWIEESQSA-N 360.866 3.855 30 50 FHEA Cc1ccc(N2C(=O)[C@@](O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C 2385249 JDRBLAJQKDGRAV-GOSISDBHSA-N 367.367 3.587 30 50 FHEA O=c1[nH]c(N/N=C\c2c(Cl)cccc2Cl)nnc1-c1ccccc1 4813123 ALAICRABIBNBPB-OCKHKDLRSA-N 360.204 3.585 30 50 FHEA CCn1ncc(/C=C/C(=O)c2ccc(I)cc2)c1C 4651485 NDCGEHDPGMPKRW-RMKNXTFCSA-N 366.202 3.712 30 50 FHEA COC(=O)O[C@H]1C=CC(=O)[C@H](C2c3ccccc3CCc3ccccc32)O1 71769413 SBYGZTOCAMEYRE-PZJWPPBQSA-N 364.397 3.550 30 50 FHEA N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(F)c3)c(Cl)c2c1 232314144 MHPFEXFILULDCO-UHFFFAOYSA-N 364.760 3.871 30 50 FHEA N#Cc1ccc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1Cl 183955150 XHDSOUUWVIMAAQ-IBGZPJMESA-N 353.809 3.875 30 50 FHEA COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257357244 MVLYYRYIEZOWIZ-OUEFGXNVSA-N 356.462 3.797 30 50 FHEA COc1cc(C2(F)CN(C(=O)[C@H]3C[C@@H]3c3ccc(C#N)cc3)C2)ccc1F 1875404385 HKWYEGQSGJUEAL-SJORKVTESA-N 368.383 3.517 30 50 FHEA CC[C@H](NC(=O)CC1=C(c2ccccc2)CCC1=O)c1cn2cccnc2n1 952984022 TYNYWRYNEVHREH-SFHVURJKSA-N 374.444 3.503 30 50 FHEA C=C(C)CNC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 12051137 QJAVYBQYZUGISD-UHFFFAOYSA-N 359.857 3.818 30 50 FHEA N#C[C@H]1CCC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 332892697 GOKFEBJNTWBEFH-XOUADPBQSA-N 362.271 3.687 30 50 FHEA CCCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccccc3)S2)cc1 2669010 HFRWCBCYYNZQLX-ALDSOSFCSA-N 367.474 3.640 30 50 FHEA C=CCn1cc([C@@H]2C[C@H](NC(C)=O)C[C@H](CCc3ccccc3)O2)c(C)n1 65525972 FXBHWNGNLJRAJR-URVUXULASA-N 367.493 3.735 30 50 FHEA COc1cc(-c2c(C)c([C@@H]3CC3(C)C)nc(N)c2C#N)cc(OC)c1O 71747690 MNZKRXCVVUYARI-ZDUSSCGKSA-N 353.422 3.747 30 50 FHEA CC(=O)OC[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)O)CC[C@H]12 254712723 HOGUPSMVUUERKH-SFGIZBKVSA-N 374.477 3.762 30 50 FHEA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/Cc1ccccn1 328608111 YAKXUCOSLRSMJN-PXNSSMCTSA-N 362.433 3.810 30 50 FHEA C[C@@H](/C(O)=N/CC1CCCCC1)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 328701476 NIJPGHRKQNJNEH-KFKAGJAMSA-N 356.514 3.966 30 50 FHEA CC1CC(C#N)(C(=O)N2CC(C)(C)[C@@H]2c2nccn2Cc2ccccc2)C1 952890976 PUZCXQRIDGFATP-OJCRERRGSA-N 362.477 3.781 30 50 FHEA Cn1nc(CN2CC[C@H](Nc3cccc(C#N)c3)C2)cc1-c1cccs1 2325757115 NUOVRXKHKPDEHI-KRWDZBQOSA-N 363.490 3.707 30 50 FHEA O=S(=O)(N/N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1 4800601 UYVQUWAQWPSWOL-MRCUWXFGSA-N 350.443 3.612 30 50 FHEA N#Cc1cc(F)cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)c1 55271537 UAAYIJPRJZUFDI-UHFFFAOYSA-N 354.772 3.848 30 50 FHEA C=CCOc1ccccc1CN1CCN(c2ccccc2OCC)CC1 55292166 XICNPQFVNPLVIZ-UHFFFAOYSA-N 352.478 3.972 30 50 FHEA COc1ccc2ccccc2c1CCNC(=O)N1CCC(C)(C#N)CC1 534631810 WLFNYWOZLGAEBJ-UHFFFAOYSA-N 351.450 3.726 30 50 FHEA N#Cc1ccccc1-c1ccc([C@@H]2CC(=O)NCc3nc4ccccn4c32)o1 65374435 TXISNIXXIDLVMD-INIZCTEOSA-N 368.396 3.618 30 50 FHEA CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@@H]2C[C@H]1O 64857585 HIFJCPQKFCZDDL-XTEMGSGWSA-N 360.494 3.541 30 50 FHEA in-vitro N#Cc1cccnc1N1CCN(Cc2ccc(OC3CCCC3)cc2)CC1 65527681 YHERZCOSAKBSBO-UHFFFAOYSA-N 362.477 3.597 30 50 FHEA C=CCn1cc(CN2CCc3[nH]cnc3[C@H]2c2cc3ccccc3o2)cn1 67724092 GEJIDPFBWPEIGM-OAQYLSRUSA-N 359.433 3.686 30 50 FHEA COc1ccc(F)c([C@@H]2c3nc[nH]c3CCN2Cc2ccccc2C#N)c1 67713120 RRDJKUWJJGDLSD-OAQYLSRUSA-N 362.408 3.577 30 50 FHEA COc1ccc(/C=C/C(=O)c2cc(C)nn2C)cc1Cn1cc(Cl)cn1 6527838 UZUORBWDGKFBMO-GQCTYLIASA-N 370.840 3.531 30 50 FHEA N#CC1(c2ccccc2)CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 97574900 JNVVKWPFDPGUSU-UHFFFAOYSA-N 373.500 3.980 30 50 FHEA C=CCCC(=O)NC[C@H](C)Oc1cccc(CN(C)Cc2ccoc2)c1 11997186 CWLYLEBVUFXQNI-KRWDZBQOSA-N 356.466 3.761 30 50 FHEA Cc1c(CCOC(=O)c2ccccc2)sc[n+]1CC(=O)c1ccccc1 2064316 YPFAHYFGMGSNBG-UHFFFAOYSA-N 366.462 3.626 30 50 FHEA N/C(=N\OC(=O)CCCc1ccccc1)c1ccc(Br)cc1 4755220 VSBUURBVOWBFJQ-UHFFFAOYSA-N 361.239 3.636 30 50 FHEA CN(Cc1ccc([S@@](C)=O)cc1)c1cc(C#N)ccc1C(F)(F)F 128041194 MLHOJGCLSFUMGY-DEOSSOPVSA-N 352.381 3.951 30 50 FHEA CC(C)COc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1[N+](=O)[O-] 170003726 KYZVZKGADDWSCY-UHFFFAOYSA-N 355.627 3.582 30 50 FHEA CC(=O)N1CCCN(Cc2ncc(-c3ccc(C#N)cc3)o2)c2ccccc21 225438126 CWKDWCPGMVDVOL-UHFFFAOYSA-N 372.428 3.976 30 50 FHEA C=CCn1c([C@@H](C)CC)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 252479374 BDTXPSMQIOEQLT-LSDHHAIUSA-N 373.467 3.688 30 50 FHEA CCOC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@H](O)CC[C@@]32C)[C@@H]1C/C=N/O 257358110 RSZALTHHHIVRCG-MQNMQSPKSA-N 363.498 3.930 30 50 FHEA COc1ccc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1C#N 286214986 LADMMOXGVQGNDO-FUHWJXTLSA-N 368.437 3.529 30 50 FHEA Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 426372117 PQICWYLUTKHYSQ-HNNXBMFYSA-N 373.460 3.804 30 50 FHEA COc1cc(C2(F)CN(C(=O)[C@@H]3C[C@@H]3c3ccc(C#N)cc3)C2)ccc1F 1875404383 HKWYEGQSGJUEAL-IAGOWNOFSA-N 368.383 3.517 30 50 FHEA CC[C@H](CO)N(Cc1ccsc1)Cc1ccc(C#CC(C)(C)O)s1 55168945 WQUZANRATFBZPD-MRXNPFEDSA-N 363.548 3.705 30 50 FHEA N#Cc1cc(Cl)ccc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 301182339 IEKILBFOUCOBTB-UHFFFAOYSA-N 371.843 3.884 30 50 FHEA O/C(=N/C[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1coc(C2CCCCC2)n1 328719147 GEFPMMWMTIRTBH-QSHDVBMJSA-N 368.477 3.536 30 50 FHEA C/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 4881486 GFUVCRKEKDTQLI-XSFVSMFZSA-N 358.829 3.794 30 50 FHEA CCCCCCCCCCCCCC(=O)NCCOS(=O)(=O)O 100304592 BURKWQBTDIHHKA-UHFFFAOYSA-N 351.509 3.623 30 50 FHEA CCOC(=O)C/C(=N/c1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 5947843 DAZOOXOQGJRQSB-UHFFFAOYSA-N 372.337 3.598 30 50 FHEA C#CCCC1(CCC(=O)N(Cc2cnn(-c3ccccc3)c2)C2CC2)N=N1 2325892887 OUCADZCSNISQGB-UHFFFAOYSA-N 361.449 3.719 30 50 FHEA CC[C@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccc(C)cc2)ccc1=O 6767302 OKDFVQYWIFJMAL-HXUWFJFHSA-N 372.428 3.680 30 50 FHEA CS(=O)(=O)Nc1ccc(-c2csc(Nc3ccc(C#N)cc3)n2)cc1 131201590 JYFWYAAJDXWBJM-UHFFFAOYSA-N 370.459 3.797 30 50 FHEA COCCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(C#N)cc1F 299798561 SWYQUYAQDHNUQP-UHFFFAOYSA-N 371.412 3.777 30 50 FHEA C=CCc1cc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)ccc1OC(C)C 1529114152 MBEQFLHXVIBFCB-IFMALSPDSA-N 366.505 3.633 30 50 FHEA Cc1c(CNCCc2c[nH]c3ccc(Br)cc23)cc(C#N)n1C 2325732869 TXQNAYRNFMQGHY-UHFFFAOYSA-N 371.282 3.781 30 50 FHEA CCOc1cc(C#N)c(NC(=O)COc2ccc(C)c(C)c2)cc1OCC 1075568 VDUHOJZNIPIZGD-UHFFFAOYSA-N 368.433 3.990 30 50 FHEA CC1(C)C=C2C(=C(O)C[C@@H](c3ccc([N+](=O)[O-])cc3)C2(C#N)C#N)C(=O)C1 106871294 PFONIHBNLNVGGC-AWEZNQCLSA-N 363.373 3.853 30 50 FHEA CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)C(=O)O 64857594 ZMSIOGLWJPSSFG-AHUSATQRSA-N 364.482 3.849 30 50 FHEA in-vitro Cc1cc(N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)c(C#N)c(C)n1 328623957 CEYRQICKFNNMRI-GOSISDBHSA-N 367.522 3.518 30 50 FHEA N#Cc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)[C@@H]2C=CC=C[C@H]2C4=O)cc1 219035186 UGFUGVPLBBHUQI-HUUCEWRRSA-N 351.365 3.839 30 50 FHEA C#CCCC1(CCC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)N=N1 2325886324 LQDOQRNLPINLNQ-UHFFFAOYSA-N 357.429 3.689 30 50 FHEA C[C@@H](C(=O)c1ccc(Br)cc1)[n+]1cccc(Br)c1 3131048 SEMBLYUEGMCKHP-JTQLQIEISA-N 370.064 3.943 30 50 FHEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccs1)c1ccccc1 5813886 IOXGVXUFBAOZPS-KRWDZBQOSA-N 362.410 3.926 30 50 FHEA O=[N+]([O-])c1ccc(COc2ccc(Br)cc2/C=N/O)cc1 6926348 VLSMBGNFEFYAEZ-LZYBPNLTSA-N 351.156 3.744 30 50 FHEA N#Cc1ccccc1-c1c(-c2ccccc2)ncn1CCN1CCCOC1=O 65505842 XKBFQECITRMHFZ-UHFFFAOYSA-N 372.428 3.931 30 50 FHEA Cn1nc(CN2CC[C@@H](Nc3cccc(C#N)c3)C2)cc1-c1cccs1 2325757116 NUOVRXKHKPDEHI-QGZVFWFLSA-N 363.490 3.707 30 50 FHEA O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Br)ccc1O 4862986 BFNPKUHWNIOWKC-DAFODLJHSA-N 361.191 3.822 30 50 FHEA biogenic N#Cc1c(N)nc2c(c1-c1cccc(-c3ccccn3)c1)[C@H]1CC[C@@H](C2)N1 71752527 JNKYUBNDTTYKJJ-MAUKXSAKSA-N 353.429 3.614 30 50 FHEA Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3OCC#N)cs2)n1C 130074046 WZIMDFAHDRBVHA-UHFFFAOYSA-N 370.409 3.751 30 50 FHEA C[C@]12C=CC(=NOCC(=O)O)C=C1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 253533795 RLZYCYTZQGHRMD-IZSQZSJDSA-N 373.493 3.933 30 50 FHEA biogenic COC(=O)C[C@H]1CC[C@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 514287248 LWEYCLIGHQDHIM-WKILWMFISA-N 358.287 3.823 30 50 FHEA N/C(=N\OC(=O)CCC1CCCCC1)c1ccc(Br)cc1 4954666 KWIVCQXMDHEOMI-UHFFFAOYSA-N 353.260 3.973 30 50 FHEA C=CCN(Cc1cccc(OC)c1)C(=O)c1cccc(C#CC(C)(C)O)c1 1506422361 OGJSSVLKQXUOKY-UHFFFAOYSA-N 363.457 3.646 30 50 FHEA COc1cc(Br)c(/C=C2\N=C(SC)SC2=O)cc1OC 1122672 JIPHFGDAXOKALK-WTKPLQERSA-N 374.281 3.800 30 50 FHEA CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@H](c1ccc(F)cc1)C(C#N)C#N 12379255 QMPVYGCTGXENIZ-RTBURBONSA-N 367.355 3.556 30 50 FHEA CCc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)o1 331880422 WCJPOQLXDJKRCL-OAHLLOKOSA-N 364.854 3.893 30 50 FHEA O=C1C=CC(=O)N1c1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 3211761 RVNLOLJBIPDVSX-UHFFFAOYSA-N 373.249 3.999 30 50 FHEA O=C1O[C@H](c2ccc(Br)cc2)C(C(=O)c2ccccc2)=C1O 4149817 KRJSLDWQMSWTAM-MRXNPFEDSA-N 359.175 3.742 30 50 FHEA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2C#N)C1 91602386 YHIYSKUWMZTUAH-QFIPXVFZSA-N 362.429 3.772 30 50 FHEA Cc1cccc([C@@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)N(C)C)c1 91695826 VBNWBCOBDAZNTC-QFIPXVFZSA-N 361.489 3.876 30 50 FHEA C=CCC(O)(CC=C)[C@@H](C)n1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 102147418 OEOCVNCZRFIDHX-OAHLLOKOSA-N 369.417 3.783 30 50 FHEA COC(=O)[C@]1(C)[C@@H]2[C@@H]3CC[C@]45O[C@]46[C@]4(C)[C@H]([C@@H]2[C@H]2[C@H]1[C@H]1CC[C@]6(C)[C@@H]1[C@@H]24)[C@H]35 257347069 QOZOZVKTNHNZNM-QOYQMLASSA-N 366.501 3.517 30 50 FHEA N#Cc1ccc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1 426360021 WJAWTVGFICWCNC-UHFFFAOYSA-N 359.473 3.926 30 50 FHEA C=CC(=O)N(C)c1ccc(C(=O)OCC#Cc2ccc(Cl)cc2)cc1 1875373781 OPRZEFQRKVSGLI-UHFFFAOYSA-N 353.805 3.697 30 50 FHEA C#CCCC1(CCC(=O)NCCc2csc(-c3ccccc3)n2)N=N1 2325892177 CWPBLBSRSCNSGE-UHFFFAOYSA-N 352.463 3.825 30 50 FHEA O=S(=O)(N/N=C/c1ccccc1)c1cc(Cl)c(Cl)cc1Cl 1229076 PRFFWPIVYGQYHF-CAOOACKPSA-N 363.653 3.959 30 50 FHEA C=CCOC(=O)COc1cc2oc(=O)cc(CCCC)c2cc1Cl 2975828 HXBLWKHSQSFLDX-UHFFFAOYSA-N 350.798 3.897 30 50 FHEA CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1C(F)(F)F 4488716 NWIAKHUUFNBWDD-OAHLLOKOSA-N 362.355 3.955 30 50 FHEA N#Cc1ccccc1C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 67966570 YOQBTBSWCVEISI-UHFFFAOYSA-N 365.339 3.690 30 50 FHEA Cc1cc([C@H]2CCCN2/C(O)=N/Cc2nc3ccccc3n2C2CC2)on1 329512218 KXPNWVFMPAFHGF-QGZVFWFLSA-N 365.437 3.919 30 50 FHEA COC(=O)c1sc(NC(=O)c2cc3c(s2)CCCC3)c(C#N)c1C 1054216 WVKDXVMDVQRHIE-UHFFFAOYSA-N 360.460 3.907 30 50 FHEA C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 2479166 LQGJBOVUXDISQT-UHFFFAOYSA-N 374.853 3.682 30 50 FHEA O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 100034208 WNIYZRDLOGYCIO-UHFFFAOYSA-N 358.078 3.545 30 50 FHEA O=C1C[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914681 BTAMLTLRATZKSX-YOEHRIQHSA-N 353.368 3.969 30 50 FHEA Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N\N=C2CCCC2)N=C1O 15768390 MKGBXDRXKWDZCV-CQSZACIVSA-N 358.467 3.990 30 50 FHEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C12CC2 105206396 KEACPEUKFIOBCY-ORAYTCERSA-N 361.228 3.525 30 50 FHEA Cc1cc(C#N)ccc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 331888834 IOMRRWSIANCFBD-FUHWJXTLSA-N 374.362 3.834 30 50 FHEA Cc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)n1/N=C/N(C)C 4284207 XOCOFSPKAZYIHH-RGVLZGJSSA-N 354.479 3.910 30 50 FHEA Cc1ccccc1C[C@@H]1S/C(=N\N=C\c2ccccc2Cl)NC1=O 5047802 QWABAKKYTBHWBH-YODDIOPGSA-N 357.866 3.813 30 50 FHEA Cc1n([C@H]2/C(=N/O)CCc3ccccc32)c2c([n+]1[O-])-c1ccccc1CC2 16363236 JVAHMFFXKIHYBZ-YVNGDZKUSA-N 359.429 3.561 30 50 FHEA C#CCCC1(CCNC(=O)c2ccccc2OCc2csc(C)n2)N=N1 2325891079 POWALDZGOYQTBY-UHFFFAOYSA-N 368.462 3.726 30 50 FHEA N/C(=N\OC(=O)COc1cccc2ccccc12)c1ccc(Cl)cc1 4690689 KXDZWABHZZYQIB-UHFFFAOYSA-N 354.793 3.736 30 50 FHEA C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(C)=O)C2 14957037 MVQFBXPZVGEHSX-UHFFFAOYSA-N 355.459 3.867 30 50 FHEA C=CCC1(OC)CCN(C2CCN(c3cc(CCC)nc(C)n3)CC2)CC1 96162457 PGYPEXUCNUZNIC-UHFFFAOYSA-N 372.557 3.763 30 50 FHEA COc1cccc([C@H](C)N(C)C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 1506420935 CFUTXRTYTFFWNV-INIZCTEOSA-N 351.446 3.651 30 50 FHEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1 2325808215 GIDRBJXVBNFAFU-OPAMFIHVSA-N 373.493 3.834 30 50 FHEA Cn1cc([C@@H]2CCCN2/C(O)=N/[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cn1 330103291 GEPBLSDLSSTBPF-SJORKVTESA-N 372.444 3.913 30 50 FHEA CCn1ncc(-c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)c1C 71760344 SILCAAMHRBFBKG-UHFFFAOYSA-N 357.339 3.812 30 50 FHEA CN(Cc1ccccc1)C(=O)CCC1CCN(c2cc(C#N)ccn2)CC1 95531470 HMTREEHLPNBLSN-UHFFFAOYSA-N 362.477 3.608 30 50 FHEA COc1ccc(OC)c(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)c1 5432836 DEMWYOQGAPZIKP-VXLYETTFSA-N 358.398 3.646 30 50 FHEA O=C1c2ccccc2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 1013737 LTWJOMLXCDXDIG-OEAKJJBVSA-N 356.381 3.896 30 50 FHEA N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)c1ccc([N+](=O)[O-])cc1 4725424 VVSGBLAFMVCRMF-UHFFFAOYSA-N 368.176 3.573 30 50 FHEA COc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1OC 5376480 XILWXLJREWGOKE-YBEGLDIGSA-N 358.394 3.735 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)cc1 100066745 RPUFWMDMKAQHTF-GOSISDBHSA-N 361.397 3.524 30 50 FHEA CC1(C)OB(c2ccc(-c3noc(Cc4ccccc4)n3)cc2)OC1(C)C 606241614 GZHJUBQKZWXMJB-UHFFFAOYSA-N 362.238 3.627 30 50 FHEA Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)C(F)(F)F 2896043 XEQGXTPOCCSBRL-UHFFFAOYSA-N 369.183 3.808 30 50 FHEA COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 3998045 DAMGHECXARIGRQ-RMKNXTFCSA-N 358.390 3.626 30 50 FHEA C[C@@H](Oc1cccc(Cl)c1)C(=O)O/N=C(\N)c1ccc(Cl)cc1 4978568 JEAQWLPBCGTUJU-SNVBAGLBSA-N 353.205 3.624 30 50 FHEA Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(N2CCCC2)c(C#N)c1 115066967 DDDHAKXJUUJEIU-UHFFFAOYSA-N 371.444 3.905 30 50 FHEA CC(=O)O[C@@H]1CC[C@@]2(/C=N/O)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118915839 JIIVOVFNPCJNDJ-LSOBINJTSA-N 359.466 3.890 30 50 FHEA C#CCCC1(CCC(=O)NCc2cn3cc(Cl)cc(Cl)c3n2)N=N1 1875381648 CBBQVUZJKRYEFV-UHFFFAOYSA-N 364.236 3.613 30 50 FHEA CN(/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 12523974 IYTNMNAZVDVEBJ-QZQOTICOSA-N 350.443 3.959 30 50 FHEA CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1 4680489 BXRIRJLDXLHQBQ-MRXNPFEDSA-N 371.234 3.960 30 50 FHEA CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 100013581 VXPBDCBTMSKCKZ-XQHNHVHJSA-N 352.471 3.683 30 50 FHEA endogenous,in-man CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](O)C1 1441085709 FFBQCSLVCPCUQY-DLBZAZTESA-N 370.534 3.614 30 50 FHEA CC(C)(C)NC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 405152390 SSXYWAMGTDQPIT-UHFFFAOYSA-N 352.671 3.559 30 50 FHEA N#C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2F)C1)c1ccc(Cl)cc1 464403685 KWRJUHHKYYPCEJ-WMLDXEAASA-N 357.816 3.686 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 628442 JIVDNMWILIQLHA-SFHVURJKSA-N 357.425 3.993 30 50 FHEA COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)cc1 851167 OPKABTARKIHOMZ-UHFFFAOYSA-N 353.447 3.571 30 50 FHEA C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 4756845 CATFJRIOJIFDQW-UHFFFAOYSA-N 366.442 3.556 30 50 FHEA Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 8742648 KCZCTFMCOSOXKV-QGZVFWFLSA-N 364.357 3.667 30 50 FHEA N#Cc1nc(-c2cccs2)oc1S(=O)(=O)Cc1ccc(Cl)cc1 334161610 CUVJPKHIROCIHO-UHFFFAOYSA-N 364.835 3.902 30 50 FHEA CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 2315053 YHHREJUFMACHAE-UHFFFAOYSA-N 366.531 3.847 30 50 FHEA C=CCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cc1 91664251 YSJNWZPODRJHLT-SIKLNZKXSA-N 374.484 3.792 30 50 FHEA C=C(C)COc1ccc(NC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)cc1 952961604 FIDNGRYPQGVERU-INIZCTEOSA-N 356.466 3.761 30 50 FHEA N#C[C@H](C(=O)NCc1cccc(F)c1)C(=O)c1ccc([C@@H]2CC2(F)F)cc1 1875293550 VACRTTNSBASJMJ-IRXDYDNUSA-N 372.346 3.587 30 50 FHEA CC(C)(C)c1noc(/C=C2\COc3ccc(Br)cc3C2=O)n1 222312080 XWGDCGGRWSKXEG-RMKNXTFCSA-N 363.211 3.788 30 50 FHEA OCCC#Cc1ccc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cc1 15074879 DMEJVUASLYUXDI-FQEVSTJZSA-N 370.443 3.775 30 50 FHEA C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O 715259 PEPKSAPFSJMXLU-UHFFFAOYSA-N 366.442 3.661 30 50 FHEA O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1F 834674 XWFKIHGGSYTXLL-RELWKKBWSA-N 365.320 3.738 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 13285516 YDTNWHPMAHEXLA-UTKZUKDTSA-N 374.440 3.616 30 50 FHEA C=CCc1cc(OC)c(O[C@H](C)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1 13311353 ULZFTGWWPHYLGI-ZUOKHONESA-N 374.433 3.647 30 50 FHEA endogenous,in-man C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Nc2cc3c(cc21)OCO3 65382628 OWMGEWWOGVPFLM-CQSZACIVSA-N 367.401 3.853 30 50 FHEA N#CCSCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCC2 123733814 OUFBLPKKUAURNP-UHFFFAOYSA-N 356.472 3.663 30 50 FHEA CC1CC(C#N)(C(=O)N2CCC(c3nccc(-c4ccccc4)n3)CC2)C1 952892205 LJOKMADGKUGWCO-UHFFFAOYSA-N 360.461 3.789 30 50 FHEA N#Cc1ccccc1CN1CCC(C(=O)N2CCCc3ccccc32)CC1 1875387125 PYBQLQQUECGJHD-UHFFFAOYSA-N 359.473 3.750 30 50 FHEA C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2ccccc2c1=O 784848 HBRLIPIXOMJUPE-UHFFFAOYSA-N 366.442 3.566 30 50 FHEA C=CC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2385910 SVCMPCVPSYAVJO-CQSZACIVSA-N 351.402 3.945 30 50 FHEA in-vitro COc1ccc(/C=N/Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 4991860 QTIGLODNRPEWNS-CXUHLZMHSA-N 350.172 3.812 30 50 FHEA CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 19771375 IMZIFRKFRVCUCI-PTGBLXJZSA-N 350.510 3.685 30 50 FHEA C=C/C=C/CC1=C(C)[C@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O 32169494 VJFUPGQZSXIULQ-XIZLYXQKSA-N 372.461 3.711 30 50 FHEA Cc1sc(NC(=O)CN2C[C@H]3CCC(=O)c4cccc2c43)c(C#N)c1C 184798786 XULYGQDQVYMCJP-CYBMUJFWSA-N 365.458 3.755 30 50 FHEA C=CCOc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 4841916 OFSQGVFILJOEAH-UHFFFAOYSA-N 356.853 3.867 30 50 FHEA C/C(O)=N/[C@H](CC(=O)N1CC(O)=N[C@@H]2CCCC[C@H]21)c1ccc(C)cc1 329843681 POISRSQWLXTMSF-KZNAEPCWSA-N 357.454 3.513 30 50 FHEA C[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(-c2ccccc2)cc1 2325849782 ABYXJQHWGBZFQK-OAHLLOKOSA-N 369.428 3.824 30 50 FHEA N#Cc1cccc2c1-c1ccccc1/C2=N/N1CCN(c2ccccn2)CC1 5777956 QKALFFBGZUEIQT-RWEWTDSWSA-N 365.440 3.508 30 50 FHEA Cc1cccc(Nc2nc3nonc3nc2N/N=C/c2ccc(F)cc2)c1 4179354 FBJTYHDRDXSZSJ-KEBDBYFISA-N 363.356 3.650 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccncc1 4621243 RUVKUQSYYJCJBD-DYESRHJHSA-N 374.440 3.616 30 50 FHEA CC(C)(C)c1nn(Cc2nc(C(F)(F)F)cs2)c(O)c1CCC#N 153509427 VOPWAILQESWCFI-UHFFFAOYSA-N 358.389 3.866 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(OC)cc1OC 170618283 VPFMWHCANMIGOM-OXJNMPFZSA-N 370.401 3.616 30 50 FHEA CCOc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1 244858466 VLRHMUSQPRNDPO-UHFFFAOYSA-N 351.494 3.854 30 50 FHEA N#Cc1cccnc1-c1cccc(C(=O)NC[C@H]2CCN(C3CCCC3)C2)c1 426396355 FKAFQXXISPBKBO-QGZVFWFLSA-N 374.488 3.615 30 50 FHEA COc1cc(C2(F)CN(C(=O)[C@@H]3C[C@H]3c3ccc(C#N)cc3)C2)ccc1F 1875404382 HKWYEGQSGJUEAL-DLBZAZTESA-N 368.383 3.517 30 50 FHEA N/C(=N\c1nc(-c2ccccc2)cc(=O)[nH]1)Nc1cccc2ccccc12 20081957 ZHZXDZPSLUQWFN-UHFFFAOYSA-N 355.401 3.648 30 50 FHEA C/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 33336121 HZYPLSBPUQVTDH-LTGZKZEYSA-N 372.310 3.991 30 50 FHEA O=C1C(Cl)=C(NCCc2c[nH]c3ccccc23)C(=O)c2ccccc21 100927246 CSTIXMXNLMLLJY-UHFFFAOYSA-N 350.805 3.830 30 50 FHEA CCOC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C=O)[C@@H]3CC[C@@]12C 254702242 TUNNPNUOPZXPEB-SFGIZBKVSA-N 358.478 3.877 30 50 FHEA CC(C)(C)c1nc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cs1 264010349 BBLQEVZSHBJDNQ-UHFFFAOYSA-N 369.490 3.996 30 50 FHEA N#Cc1cccc(NC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c1 299797205 MPSGPUVQQDHTPN-NRFANRHFSA-N 363.461 3.796 30 50 FHEA O/C(=N/[C@H](c1ccccc1)[C@H]1CCCO1)N1CCC(OCC2CC2)CC1 329823213 ZKBKHFRHWGKZRJ-WOJBJXKFSA-N 358.482 3.712 30 50 FHEA O=C(C1CCCCC1)N1CC[C@@H](/N=C(/O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)C1 329993665 YOMRRHPWOLXMHH-ABVNKWNHSA-N 373.541 3.592 30 50 FHEA CC(C)(C)c1cc(NC(=O)N2CCC(C#N)CC2)n(-c2ccccc2)n1 426382805 RPQQVTLFTXIAHA-UHFFFAOYSA-N 351.454 3.937 30 50 FHEA O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cc(Cl)ccc1Cl 9332126 WZHOLXVPAMJGMH-VFJJTOLMSA-N 368.245 3.751 30 50 FHEA C=CCn1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2C)c(C)n1 65423675 BQJGJHJMYDFXSW-MRXNPFEDSA-N 361.449 3.654 30 50 FHEA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(F)cc(C#N)c3)C2)cc1 77323874 UJCYCFXPFGZAGX-MRXNPFEDSA-N 352.409 3.937 30 50 FHEA CC(C)c1noc([C@H]2CCCN(Cc3ccc(C#CC(C)(C)O)s3)C2)n1 822281191 CJJYVWOVUWWSDG-HNNXBMFYSA-N 373.522 3.757 30 50 FHEA C=CC(=O)N(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1COc2ccccc21 1875386691 WVGNEFUTLJLTPM-GOSISDBHSA-N 358.441 3.933 30 50 FHEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1[N+](=O)[O-] 19638827 OHPHPQGVFJPTGQ-KRWDZBQOSA-N 370.405 3.516 30 50 FHEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc(OC)c1 7720499 AQNCJEOOXUEFFQ-UHFFFAOYSA-N 363.417 3.882 30 50 FHEA O=C(O)CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)COc1ccccc1 27639103 CARGFWOXPNIAKB-GIYTUJIHSA-N 370.445 3.555 30 50 FHEA in-vitro O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccco1)c1ccc(F)cc1 5409212 AVDNOPLQNQRYKG-QGZVFWFLSA-N 367.332 3.790 30 50 FHEA CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1 100332456 GMRBPNUPZMEDAQ-VKAVYKQESA-N 358.438 3.518 30 50 FHEA CC1(C)CCc2ccccc2[C@H]1NS(=O)(=O)Cc1cccc(C#N)c1 161790567 GJMWSOPRABNJCH-LJQANCHMSA-N 354.475 3.691 30 50 FHEA O=C1C[C@H](c2ccco2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1 218008401 UHWBXVOSEKBZBW-KDVQLTRESA-N 359.337 3.732 30 50 FHEA biogenic Cc1ccc(C2(O)CCN(c3nc4ccccc4c(C)c3C#N)CC2)nc1 1857683212 XYEYTYNTNPHBSH-UHFFFAOYSA-N 358.445 3.606 30 50 FHEA COc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(C#N)cc1 55099887 BFSZVONKJFIXLD-UHFFFAOYSA-N 357.413 3.804 30 50 FHEA CCCCc1nc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)c[nH]1 67921064 WHCDAZVTAPYBEJ-UHFFFAOYSA-N 363.421 3.649 30 50 FHEA CC1(C)OB(C2CCN(C(=O)c3ccnn3C3CCCC3)CC2)OC1(C)C 864236177 ZDWJWMZDBMCHQS-UHFFFAOYSA-N 373.306 3.697 30 50 FHEA C#CCCC1(CCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)N=N1 952882512 RXILIQATSHMLSV-IBGZPJMESA-N 352.482 3.604 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1Cc1cc(=O)n2nc(C)cc2[nH]1 1704325498 NMAYBAZXQQGKET-UXHICEINSA-N 360.461 3.779 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)c(OC)c2)cc1 1307345 DVVZYVKFFQFGHO-YBFXNURJSA-N 370.434 3.516 30 50 FHEA CCOc1cccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)c1O 1478835 ICLYUUYOTAUSLA-YBFXNURJSA-N 354.435 3.903 30 50 FHEA N#Cc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 2618703 NDJIQGRVEASFGC-UHFFFAOYSA-N 365.614 3.992 30 50 FHEA COc1ccc(-c2cc(C3CCC3)nc(N)c2C#N)cc1Cn1cccn1 67739747 KAPVBJKEIFOAKY-UHFFFAOYSA-N 359.433 3.723 30 50 FHEA CN(C)CCCOc1ccccc1-c1cc(C2(C)CC2)nc(N)c1C#N 71524660 XMVPQMGTNSHSFN-UHFFFAOYSA-N 350.466 3.584 30 50 FHEA CC1(C)OB(c2cc(C(F)(F)F)c(Br)cc2F)OC1(C)C 169955971 OMJWHTOKPXUEAI-UHFFFAOYSA-N 368.961 3.906 30 50 FHEA N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 329776947 OOCIQCRINPZEIG-RTBURBONSA-N 362.429 3.760 30 50 FHEA CN(C(=O)c1ncc(C#N)cc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 329818575 GFOHHINRUXCZAB-DOTOQJQBSA-N 373.815 3.738 30 50 FHEA CC(C)(O)C#Cc1ccc(CN2CCCN(Cc3cccs3)CC2)cc1 952963902 KAWMBYBVUVXHEZ-UHFFFAOYSA-N 368.546 3.578 30 50 FHEA C=CCSc1nnc(NC(=O)CSc2nc3ccccc3o2)s1 2870708 YLPCWMGVAUSJNW-UHFFFAOYSA-N 364.477 3.688 30 50 FHEA aggregator CC/N=C(/O)C[C@H]1CCCCN1C(=O)c1nc(C2CC2)n2ccccc12 329090375 WMMHFPDNNFMSRJ-OAHLLOKOSA-N 354.454 3.573 30 50 FHEA C#CCN(CC(F)(F)F)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 2325702155 BQJOPPZPJASLIP-UHFFFAOYSA-N 370.758 3.952 30 50 FHEA Cc1cc(C)n(-c2ccc(N3CCC(N4CCC[C@@H](C#N)C4)CC3)cc2)n1 23543821 LPBPLZCVWNTHNB-IBGZPJMESA-N 363.509 3.694 30 50 FHEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CCO[C@H](C2CC2)C1 328714001 SFQDFFUKPNAGMG-FQEVSTJZSA-N 351.450 3.637 30 50 FHEA COc1cccc(-c2cc(-c3cc(CC(=O)O)cs3)nc(N)c2C#N)c1 71767686 MLDDCHWGAHABAN-UHFFFAOYSA-N 365.414 3.567 30 50 FHEA C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccccc1F 19794791 SREMPAYDHMLCQX-UHFFFAOYSA-N 371.408 3.519 30 50 FHEA Cc1ccc2c(C(=O)N3CCC[C@@H](C#N)C3)cc(-c3cnn(C)c3)nc2c1C 23232257 BEUZPJBKZOJTAV-INIZCTEOSA-N 373.460 3.628 30 50 FHEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C 225495930 CSODFZYEAZQUPE-KSSFIOAISA-N 359.857 3.545 30 50 FHEA Cc1ccccc1OCC(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl 4889061 RXSQVICCIWQTOF-UHFFFAOYSA-N 367.232 3.739 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1Cl 25695112 BZNSFPDNCWWZTI-QGZVFWFLSA-N 374.868 3.902 30 50 FHEA C(=N/N1CCN(c2ccccn2)CC1)\c1cccc(OCc2ccccc2)c1 100574668 YBWSOZFLRHWWGC-XIEYBQDHSA-N 372.472 3.817 30 50 FHEA CCc1ccc(S(=O)(=O)N2CCCc3cccc(N=C(C)O)c32)cc1 328589632 XXMCKNWLSYOSCJ-UHFFFAOYSA-N 358.463 3.998 30 50 FHEA CCn1ncc(Br)c1C(=O)/C=C/c1ccc(OC)cc1OC 6556025 XKRGGXXRFXWVNR-SOFGYWHQSA-N 365.227 3.579 30 50 FHEA N#Cc1ccc(CNC(=O)N2CC=C(c3cccc4ccccc34)C2)nc1 780646132 HXWOFTZGABIOKT-UHFFFAOYSA-N 354.413 3.715 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 19229025 UNPIKGFSLWMGKX-LJQANCHMSA-N 368.477 3.530 30 50 FHEA C[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C#N)C1 4194623 OCWHYPVAFUTQRI-LLVKDONJSA-N 354.431 3.768 30 50 FHEA CC(C)(CN)CC1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 2325813041 FQRYQTCRSVAKOO-UHFFFAOYSA-N 363.461 3.798 30 50 FHEA O=C([C@H]1CCCN(Cc2ccco2)C1)N(CC#Cc1ccccc1)C1CC1 55088350 GIBNZNMZEKYBIA-FQEVSTJZSA-N 362.473 3.534 30 50 FHEA COC(=O)[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 257347587 LTWLPBOTJIWDPF-MODRPBMJSA-N 374.477 3.603 30 50 FHEA C#CCOc1ccc(C(=O)c2ccc(OCCCCC(=O)O)cc2)cc1 685965953 PVDBYWSDYKTIBJ-UHFFFAOYSA-N 352.386 3.563 30 50 FHEA O=S(=O)(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1 3097459 OWEUJQMNSMQJCP-RCCKNPSSSA-N 366.442 3.578 30 50 FHEA O=C(/C=C/c1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100469276 CSVYPIWJKSQCLC-ZONUCSCSSA-N 369.420 3.894 30 50 FHEA O=C1C[C@H](/N=C(/O)Nc2nc3ccsc3s2)CN1C1CCCCC1 329174531 LYDSQKDBGFMWIF-JTQLQIEISA-N 364.496 3.617 30 50 FHEA N#CC1CCN(C(=O)NCC[C@H](c2ccc(F)cc2)c2ccco2)CC1 426523759 ZHAXJALQPOPKMX-GOSISDBHSA-N 355.413 3.886 30 50 FHEA Oc1ccc(Br)cc1/C=N/n1c(-c2ccco2)n[nH]c1=S 1475874 KYJFDVAARWOXGC-VIZOYTHASA-N 365.212 3.551 30 50 FHEA COC(=O)c1cc(C#C[Si](C)(C)C)c(N)c(OCc2ccccc2)c1 169916211 JZPANYLQNXKNQP-UHFFFAOYSA-N 353.494 3.863 30 50 FHEA COc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)C(C)C 4868773 FTUVUWRHAAFCKF-UHFFFAOYSA-N 355.369 3.553 30 50 FHEA COc1cc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)ccc1O 6004795 HSMDYXUOHMYWBJ-GIJQJNRQSA-N 360.826 3.857 30 50 FHEA COc1ccc2cc([C@@H]3CN(C(=O)c4cccc(C#N)c4)CCO3)ccc2c1 71764019 YCDMJXVDHOQJQG-QFIPXVFZSA-N 372.424 3.934 30 50 FHEA CCOc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 238901403 LZRGNRVXZAUVJR-UHFFFAOYSA-N 357.885 3.890 30 50 FHEA CC(C)Oc1cccc(-c2nnc(S)n2/N=C/c2ccc(O)cc2)c1 2522404 KSXNTXIPJKWPKA-YBFXNURJSA-N 354.435 3.609 30 50 FHEA COc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(Cl)cc3)NC2=O)cc1 8208365 QPGRONRDWXHVGJ-MBTVCVBTSA-N 373.865 3.513 30 50 FHEA O=C(C[C@H]1S/C(=N\N=C2CCCCCCC2)NC1=O)Nc1ccccc1 5450625 BPFJLMSPFSJVSW-MRXNPFEDSA-N 372.494 3.703 30 50 FHEA O/C(=N/[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc(F)cc2nn[nH]c12 328666310 ZUSMANACWZLWKA-HNNXBMFYSA-N 368.416 3.791 30 50 FHEA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4913897 NZADYMNDCSKBCT-JSGCOSHPSA-N 368.414 3.661 30 50 FHEA Cc1ccc2ncccc2c1-c1cc(-c2cn(C)nc2C)nc(N)c1C#N 71747048 PDFCFRIQSGGBBY-UHFFFAOYSA-N 354.417 3.768 30 50 FHEA CC[C@@H]1CCC[C@H](N/C(O)=N/Cc2ccnc(OC3CCOCC3)c2)C1 329584345 QULAEMIZDSUTCG-WBVHZDCISA-N 361.486 3.612 30 50 FHEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCN(c3cc(C)nc(C)c3)CC1)C2 102313206 AMTWHPCSLUJXQW-PGRDOPGGSA-N 353.510 3.730 30 50 FHEA C[C@H](/N=C(/O)CN1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2)[C@H]1C[C@H]2CC[C@H]1C2 328695220 KJMXMRQMWRXVQZ-SHAPNJEPSA-N 368.525 3.821 30 50 FHEA CC[C@@H](OC1CCCCC1)C(=O)N1CCCN(c2ccccc2C#N)CC1 177903190 IXENJJOPRRFWNS-OAQYLSRUSA-N 369.509 3.725 30 50 FHEA C=CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c(O)c2ccccc21 5817027 FPLOZQFLQBASNW-UHFFFAOYSA-N 354.793 3.799 30 50 FHEA O=C(C[C@H]1S/C(=N/c2ccc(O)cc2)N=C1O)Nc1ccc(F)cc1 16956782 MVFFJWUCWBOFLL-CQSZACIVSA-N 359.382 3.620 30 50 FHEA C=C(C)Cn1nc(Cc2ccccc2OC)nc1-c1cc(C)n(CC)n1 1857676652 WEXIHZHJHZZGTG-UHFFFAOYSA-N 351.454 3.645 30 50 FHEA CCc1cccc(N=C(O)[C@H]2CCO[C@@H]2c2ccnn2CCCOC)c1 328607557 WJKWDGMJGXUWHF-HKUYNNGSSA-N 357.454 3.848 30 50 FHEA CCCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ncnn21 4368717 KEFKBWBUAULCFO-SFHVURJKSA-N 352.438 3.725 30 50 FHEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 4681760 FVOXFBOLMBDHFI-LJQANCHMSA-N 355.434 3.703 30 50 FHEA C=CCn1c(CN(C)CC2CCCCC2)nnc1SC[C@H]1CCCO1 15066989 HMLBSAZPNALFHW-QGZVFWFLSA-N 364.559 3.747 30 50 FHEA CCCCCCN1CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)OC1=O 77425580 QGWPXIJQQNEZNO-UHFFFAOYSA-N 369.465 3.566 30 50 FHEA CCCC(=O)C1=C(Nc2ccc(OC)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O 100319282 DNFKBYCAPZYEPB-GOSISDBHSA-N 373.449 3.519 30 50 FHEA C=CCN(C)CCN(CC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 253431978 VVEZYLAFPXWBKK-UHFFFAOYSA-N 360.527 3.617 30 50 FHEA COc1cccc2c1nc(N=C(O)[C@@H]1C[C@]13CCOc1ccccc13)n2C 328837401 XTYPMULIRGTFSE-QKKBWIMNSA-N 363.417 3.910 30 50 FHEA C[C@@H]1[C@H](/N=C(/O)[C@H]2CCCc3cccnc32)CC(=O)N1Cc1ccccc1 329796962 FFPTXMSNCZBVEK-AYOQOUSVSA-N 363.461 3.648 30 50 FHEA Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccccc3Cl)NC2=O)c1 18209381 BQIGIKJXZGEJGY-MBTVCVBTSA-N 357.866 3.813 30 50 FHEA C=CCN(Cc1ccncc1)C(=O)CCC(=O)Nc1c(C)cc(C)cc1C 55255482 KAHAXCLWDMKXHV-UHFFFAOYSA-N 365.477 3.940 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S 253499675 LYALGFDSSRNLPA-IYTLTHGNSA-N 363.571 3.579 30 50 FHEA biogenic Cc1cccc2c1OC[C@H](/N=C(/O)N1CC(C)(C)[C@@H]1c1cccnc1)C2 330210866 IRPXJDVCNZKHLW-MJGOQNOKSA-N 351.450 3.691 30 50 FHEA N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 676794 XBDUHCGMWNLHGJ-UHFFFAOYSA-N 365.614 3.992 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 4726897 YDTNWHPMAHEXLA-DYESRHJHSA-N 374.440 3.616 30 50 FHEA O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4914105 AFZFNIMBAMPYFQ-OCCSQVGLSA-N 368.414 3.661 30 50 FHEA C/C(O)=N/[C@H](CC(=O)N1CC(O)=N[C@@H]2CCCC[C@@H]21)c1ccc(C)cc1 329843677 POISRSQWLXTMSF-KURKYZTESA-N 357.454 3.513 30 50 FHEA O/C(=N/[C@H]1C[C@H]2CC[C@H]1O2)Nc1ncc(Cc2ccc(F)c(F)c2)s1 329899676 NDMFIOOWKPQVET-WKPIXPDZSA-N 365.405 3.658 30 50 FHEA O=C(O)CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)COc1ccccc1 27639110 CARGFWOXPNIAKB-YWWUYYRQSA-N 370.445 3.555 30 50 FHEA in-vitro C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccccn1 238900192 HWPVZTDNLUJHLN-UHFFFAOYSA-N 354.457 3.803 30 50 FHEA N#Cc1ccc(N2CCN(Cc3cc(C4CCCCC4)no3)CC2)cc1 252479813 BNBLIXMKSUGFIG-UHFFFAOYSA-N 350.466 3.916 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cn(Cc2ccccc2Cl)nn1 11843640 SZIKYOMTPHMKHS-GDBMZVCRSA-N 356.857 3.715 30 50 FHEA N#CCc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c(Cl)c1 411023359 ZLJXPFJWBZZJNM-SYQHCUMBSA-N 358.747 3.700 30 50 FHEA CCOc1cc(C#N)c(NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 4602017 YWXLZQVYRUPFKF-UHFFFAOYSA-N 370.405 3.625 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)N=N1 2325892614 UJYGBKKZGMAQGV-GOSISDBHSA-N 369.465 3.525 30 50 FHEA C=CCn1cc(CN(C)[C@H]2CCCN(CCCc3ccccc3)C2)c(C)n1 20327728 FXVURVPTSZDFHB-QHCPKHFHSA-N 366.553 3.907 30 50 FHEA N#Cc1c(-c2cccn2-c2ccncc2)cc(-c2cccc(O)c2)nc1N 67955788 DOJJAVJENRYDFX-UHFFFAOYSA-N 353.385 3.761 30 50 FHEA C=CCOc1ccccc1C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 175342833 DZBHYPUJBDYZCB-HNNXBMFYSA-N 363.417 3.716 30 50 FHEA O=C(/C=C/c1ccccc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 245295324 CSVYPIWJKSQCLC-DNVSFYAZSA-N 369.420 3.894 30 50 FHEA COC(=O)N1CCc2nccc(-c3cc(C4(C#N)CC4)ccc3F)c2C1 1875309285 DRYRAGKBLLXALT-UHFFFAOYSA-N 351.381 3.567 30 50 FHEA O=S(=O)(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 5044484 UNLXUOPCVDFKRN-CAOOACKPSA-N 363.653 3.959 30 50 FHEA COc1ccc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)cc1OC 6166201 UKLDECVDQCJPAQ-YBFXNURJSA-N 370.434 3.516 30 50 FHEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ncc(C#N)cc1Cl 328614589 ALHBFHPBANTIGE-JTQLQIEISA-N 369.778 3.521 30 50 FHEA C[C@]12CC/C(=N/NC(N)=S)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 257372903 YSALUCJHTGLMGQ-NIMYIIOESA-N 363.571 3.579 30 50 FHEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)NC2CCCCC2)C1 1875245871 BPJAPNMIPAFKLX-KRWDZBQOSA-N 371.481 3.700 30 50 FHEA N#Cc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 752394 HVVYWEUIRVGLQK-UHFFFAOYSA-N 367.364 3.611 30 50 FHEA C[C@@H](OC(=O)c1ccc(C#N)[nH]1)c1nc2cc(C(F)(F)F)ccc2n1C 162013889 URKIHCBMRATTLM-SECBINFHSA-N 362.311 3.710 30 50 FHEA C[C@H](C(=O)O)N(CCC#N)C(=O)OCC1c2ccccc2-c2ccccc21 958527949 HMHBDEIAPKXOFU-CQSZACIVSA-N 364.401 3.624 30 50 FHEA C#CCCC1(CCC(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)N=N1 2325892658 VYNFQVPNVVRPSP-SFHVURJKSA-N 358.530 3.845 30 50 FHEA CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1c(Cl)cccc1Cl 1189128 MMPGFBSWFGMNCW-QGMBQPNBSA-N 371.293 3.847 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2C)cc1OC 1476012 BMPMPAOVMYGMKD-YBFXNURJSA-N 354.435 3.816 30 50 FHEA COc1cc(Br)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1O 4739386 WMAJWYDNMWUTLX-LZYBPNLTSA-N 366.171 3.518 30 50 FHEA COc1cccc(/C=N/n2c(-c3ccc(OC)c(OC)c3)n[nH]c2=S)c1 6007294 QHWILNHNUPHAHL-YBFXNURJSA-N 370.434 3.516 30 50 FHEA Cc1csc([C@H]2CN(c3ccc(C#N)cc3Br)CCO2)n1 170590989 AWJILMHBRWDUEU-CQSZACIVSA-N 364.268 3.664 30 50 FHEA Cc1cc2cc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)oc2cc1C 173466650 AJDKXGXYUIWZGG-HXUWFJFHSA-N 373.456 3.900 30 50 FHEA CC1(C)OB(c2cc(F)cc(NC(=O)Oc3ccccc3)c2)OC1(C)C 238791289 JTPSJDUXZLKLIH-UHFFFAOYSA-N 357.190 3.736 30 50 FHEA COc1ccc(/C=C/C(=O)c2cnn(C)c2C)cc1Cn1cc(Cl)cn1 6921743 UKTSNWVKXQPYHJ-GQCTYLIASA-N 370.840 3.531 30 50 FHEA Cc1cc([C@@H]2CCCN2C(=O)CC2=C(c3ccccc3)CCC2=O)on1 952968038 FAUSRRPYVHQJTR-SFHVURJKSA-N 350.418 3.853 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 19774985 IPWHHNNOQBYLTR-QGZVFWFLSA-N 361.388 3.742 30 50 FHEA CC(C)C[C@@H](C)C(=O)NCC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 2325866917 DXZORTZDTLVPJB-QUCCMNQESA-N 355.526 3.959 30 50 FHEA N#Cc1c(-c2cnc(-c3cccs3)nc2)cc(-c2ccccn2)nc1N 67967762 XZSXBTDNVPVNGM-UHFFFAOYSA-N 356.414 3.783 30 50 FHEA CCOc1cc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)ccc1O 252320578 AIRSOJITXLPOPG-UHFFFAOYSA-N 367.493 3.559 30 50 FHEA Cc1oc(-c2cnn(C)c2)nc1/C(O)=N/[C@@]1(C)CCCc2ccccc21 329636592 YFPWJRTZLJZADT-FQEVSTJZSA-N 350.422 3.940 30 50 FHEA CC(C)(C)c1nn(Cc2ccc(C(F)(F)F)nc2)c(O)c1CCC#N 888092782 PWPJCJSICAQLIT-UHFFFAOYSA-N 352.360 3.804 30 50 FHEA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CB1OC(C)(C)C(C)(C)O1 1772715790 PUMCVEMPABFXIP-OLZOCXBDSA-N 355.284 3.839 30 50 FHEA N#Cc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(F)c1 5051080 PVEDLHZUVVAWQH-UHFFFAOYSA-N 367.468 3.562 30 50 FHEA CC(=O)/C(=C/Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 100944367 WJNGWTIKKGKACQ-YBEGLDIGSA-N 353.802 3.795 30 50 FHEA CC(=O)[C@@H]1C[C@H](C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)C1(C)C 158777100 NGHDWQXHDHPJHL-HRCADAONSA-N 350.418 3.619 30 50 FHEA COc1cccc(C/N=C(/O)[C@H]2C[C@@]23CCOc2ccc(OC)cc23)c1 328603968 HXMHHUHEPXUESJ-WIYYLYMNSA-N 353.418 3.901 30 50 FHEA Cc1cc([C@H](/N=C(/O)N2CCC[C@H](Cn3ccnn3)C2)C2CC2)ccc1F 328895617 WHOTWHYOXOIBFS-HNAYVOBHSA-N 371.460 3.503 30 50 FHEA C=CCc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)cc1 1565515051 YSJNWZPODRJHLT-KNQAVFIVSA-N 374.484 3.792 30 50 FHEA C=CCc1cc(C(=O)N=c2cc(-c3ccsc3)[nH][nH]2)cc(OC)c1OC 2325729094 OUGQWPOPOVJEMD-UHFFFAOYSA-N 369.446 3.558 30 50 FHEA BrC(=C\c1ccccc1)/C=N/N1CCN(c2ccccn2)CC1 100575486 FZNNISGQTKDUIM-WANMUPLOSA-N 371.282 3.625 30 50 FHEA Cc1cc(-c2ncccc2N=C(O)N2CCOCC(F)(F)C2)cs1 329585998 WPUMSPRAAVTCPW-UHFFFAOYSA-N 353.394 3.632 30 50 FHEA COC(=O)O[C@H]1C=CC(=O)[C@@H](C2c3ccccc3CCc3ccccc32)O1 71769415 SBYGZTOCAMEYRE-FPOVZHCZSA-N 364.397 3.550 30 50 FHEA N#C[C@H]1CCCN(C(=O)c2cc(-c3cn[nH]c3)nc3cc(Cl)ccc23)C1 20907941 JJSRBFMEALTRNB-GFCCVEGCSA-N 365.824 3.654 30 50 FHEA C[C@H](c1cccc(C#N)c1)N1CCC(NC(=O)NC2CCCCC2)CC1 187145800 MNGYVDRKAHQYDS-MRXNPFEDSA-N 354.498 3.716 30 50 FHEA CCc1onc(C)c1/C(O)=N/[C@H](c1nc(C(C)C)no1)C1CCOCC1 328613318 RMZMFIBUOICFOQ-HNNXBMFYSA-N 362.430 3.524 30 50 FHEA O=C1CCCC2=C1C(c1cccc(Br)n1)C1=C(CCCC1=O)N2 636652 RISKJJASRJDXES-UHFFFAOYSA-N 373.250 3.545 30 50 FHEA C=CCc1ccc(OCCOCCOc2ccccc2C=O)c(OC)c1 2985338 SAEQSOFAKJPNMO-UHFFFAOYSA-N 356.418 3.711 30 50 FHEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 19315129 TWBJQPAPCOXILT-LJQANCHMSA-N 368.477 3.674 30 50 FHEA OCC#Cc1csc(CN2CCC[C@@]3(C=Cc4ccccc4O3)CC2)c1 65398812 BIEWXULVHWHNMY-JOCHJYFZSA-N 365.498 3.922 30 50 FHEA Cc1cncc(C/N=C(/O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)c1 328604261 JDZOFFGPZABTOG-VQTJNVASSA-N 362.433 3.810 30 50 FHEA N#Cc1ccc([C@H](O)CN2CC=C(c3cncc4ccccc34)CC2)cc1 372145626 CODUVSWPTBSODB-HSZRJFAPSA-N 355.441 3.929 30 50 FHEA CC(C)C#CC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 952892650 IMHYSSFIUJCQQT-UHFFFAOYSA-N 353.441 3.582 30 50 FHEA C=CCNc1ccccc1C(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 55359097 VQEKTMYAKXAIOW-JOCHJYFZSA-N 364.489 3.740 30 50 FHEA CC/N=C1\S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC 100951530 NKTXCZVERSECAY-JVMRMLDLSA-N 355.463 3.508 30 50 FHEA O/C(=N/Cc1cscn1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328603504 GFOMAAMPQYQLIN-RDJZCZTQSA-N 372.425 3.702 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(C)cc1C)CC2 91690302 WRROXUSNOTWSBG-UHFFFAOYSA-N 355.482 3.726 30 50 FHEA CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OC(=O)c1cccs1 681163 XBJUGAJTMFCPPS-UKTHLTGXSA-N 357.387 3.682 30 50 FHEA O[C@H](c1ccccc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 2592856 DCYBJXGGLMLHFT-RDDDGLTNSA-N 354.168 3.915 30 50 FHEA N#Cc1c(NC(=O)CSc2ccc([N+](=O)[O-])cn2)sc2c1CCCC2 2846149 FSNHJYAMVGMCTH-UHFFFAOYSA-N 374.447 3.533 30 50 FHEA Cc1cc(OCC(=O)Nc2cccc(C#N)c2)cc(C)c1Br 4834214 SZKBQGCJURKAJE-UHFFFAOYSA-N 359.223 3.955 30 50 FHEA CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2cccnc2)C1=O 5074070 HSURQNIXGHCVFQ-WJDWOHSUSA-N 366.442 3.934 30 50 FHEA N#Cc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 225552128 HBYQXNSDSSNLJS-UHFFFAOYSA-N 358.279 3.879 30 50 FHEA CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 20028821 AVCCPECDVWFPJW-FQEVSTJZSA-N 368.452 3.806 30 50 FHEA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ncccc2C#N)cc1 426411551 UFLNMBZJDBGNRC-IBGZPJMESA-N 373.460 3.661 30 50 FHEA CC1(C)OB(c2cc(F)cc(OCCOCc3ccccc3)c2)OC1(C)C 390719001 MKXXIDMJKKCNGR-UHFFFAOYSA-N 372.245 3.721 30 50 FHEA O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccc(F)cc1 2220594 WVHTYUQBECERFD-GRKKMJAJSA-N 369.381 3.828 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 19229027 UNPIKGFSLWMGKX-IBGZPJMESA-N 368.477 3.530 30 50 FHEA CC1(C)C[C@@]2(C[C@@H]2/C(O)=N/Cc2nnc3n2CCCC3)c2ccccc2O1 328605899 PSGPXAIWRVIECQ-VFNWGFHPSA-N 366.465 3.590 30 50 FHEA CN(C1c2ccccc2-c2ccccc21)S(=O)(=O)c1occc1C#N 1875339269 ZAXUUGDDXLPSJF-UHFFFAOYSA-N 350.399 3.542 30 50 FHEA CCOc1ccc(N/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1015496 NSKYWNZVVQFHCC-ZHACJKMWSA-N 357.406 3.920 30 50 FHEA CC1(C)OB(c2cc(F)cc(NC(=O)OCc3ccccc3)c2)OC1(C)C 169978483 MGUIBIHKMSUVJX-UHFFFAOYSA-N 371.217 3.874 30 50 FHEA COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN)n2)cc1 1857798672 WAPGINVMZKQQJG-UHFFFAOYSA-N 353.369 3.698 30 50 FHEA O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C=C1Nc1ccc(Cl)cc1 4347688 KCLWVAYPAFNJFB-IBGZPJMESA-N 367.880 3.799 30 50 FHEA COC(=O)[C@H]1C(=O)/C(=C(\C)Nc2cccc3ccccc23)C(=O)CC1(C)C 100281832 XAPWKYSDNTYLLY-HJDVLLJCSA-N 365.429 3.883 30 50 FHEA Cc1ccc(C2(CN3CCC(C#N)(c4ccccc4)CC3)CCNCC2)nc1 65525975 AXIHVEYPGNWJHF-UHFFFAOYSA-N 374.532 3.569 30 50 FHEA C[C@@H](C(O)=N/C(O)=N/C1CCCCC1)N1CCC(Cc2cccnc2)CC1 329161160 YTYFQGQDZLJDDC-INIZCTEOSA-N 372.513 3.928 30 50 FHEA C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 72153934 PWAGRCIXRYSUDI-HXUWFJFHSA-N 373.516 3.541 30 50 FHEA Cc1ccc([C@@H]2CN(Cc3cccc(C#N)c3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72436138 YLDWJELECDEZEM-RBZQAINGSA-N 357.501 3.929 30 50 FHEA COc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C#N)C3)cn2)c1 96180872 VPBQOSQYJWAMTA-AWEZNQCLSA-N 352.394 3.650 30 50 FHEA Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccc(C)c(C#N)c2)s1 95521794 ZXPVQVARVXBLGE-UHFFFAOYSA-N 356.495 3.832 30 50 FHEA O=C1CS/C(=N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 5649275 XWBINBCBRQVSJN-UBKPWBPPSA-N 354.218 3.806 30 50 FHEA CCO[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C12CCOCC2 302295623 XKWWWDUPDZWHCH-JKSUJKDBSA-N 354.372 3.963 30 50 FHEA COC(=O)c1cccc(CN2CCc3ccc(OC)cc3[C@H](C)C2)c1C#N 2325706090 IQYMLQODGBHWSD-OAHLLOKOSA-N 364.445 3.515 30 50 FHEA Cc1cccc(C(=O)O/N=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)c1 1211453 YTHSYIXSDSLPTN-QOCHGBHMSA-N 361.357 3.908 30 50 FHEA CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC/C2=N/O 13941944 GZRIWWRGSMQCLV-MOSHPQCFSA-N 358.419 3.692 30 50 FHEA N#Cc1ccc(F)c(CNc2ccn(-c3ncccc3C(F)(F)F)n2)c1 131925239 VAZSGUPGCNWALJ-UHFFFAOYSA-N 361.302 3.909 30 50 FHEA C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccco3)cc2)SC1=S 5005947 PUDJZBSFGDBAMN-RVDMUPIBSA-N 371.439 3.886 30 50 FHEA N#Cc1ccccc1CN1CCc2[nH]nc(-c3cc(F)ccc3F)c2C1 19146200 ZHDCTIASISEPQW-UHFFFAOYSA-N 350.372 3.785 30 50 FHEA CN(CCCOc1ccc(F)cc1)Cc1ccc(C#CC(C)(C)O)s1 55119867 PLQIDSYIYOGQSE-UHFFFAOYSA-N 361.482 3.911 30 50 FHEA C=CCN(Cc1cccc(OC)c1)C(=O)c1nc2cccc(C)n2c1F 65404687 ZSHVQQSARHBRLX-UHFFFAOYSA-N 353.397 3.619 30 50 FHEA N#Cc1ccccc1-c1ccc([C@@H]2CC(=O)NCc3nc4sccn4c32)o1 65405794 FJYXPPKEFFILAO-AWEZNQCLSA-N 374.425 3.679 30 50 FHEA C=Cc1cccc(-c2c(C#N)c(N)nc3c2CN(Cc2cccnc2)CC3)c1 72167022 IEWNQJNLAGELAT-UHFFFAOYSA-N 367.456 3.799 30 50 FHEA C[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 100220428 LFGUOKSONBHVJF-ZBOAGNCASA-N 370.365 3.745 30 50 FHEA C=CCN1C[C@@H](C)N(C(=O)c2cccc(-c3ccccc3CO)c2)C[C@H]1C 426690276 KCHYYSXVAGJVKS-QZTJIDSGSA-N 364.489 3.567 30 50 FHEA N#CC1(CS(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)CCCC1 476632727 NVAOENRLYUQJBK-UHFFFAOYSA-N 366.914 3.933 30 50 FHEA CC[C@H](C)[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(Cl)cc1 2325850060 KWUWELXZDUDTKY-KPZWWZAWSA-N 369.856 3.837 30 50 FHEA COc1ccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)cc1OC 1455418 AWEANZUJKYLFLB-YBFXNURJSA-N 354.435 3.816 30 50 FHEA C=CCOc1ccccc1CN1C[C@@H]2C[C@H]1C(=O)N2c1ccccc1Cl 12132126 YORBTDCWCWVFND-LPHOPBHVSA-N 368.864 3.895 30 50 FHEA Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(O)cc1 15723485 QVOOPFAMVKEQJW-JMIUGGIZSA-N 351.366 3.549 30 50 FHEA C=CCN(Cc1ccco1)C(=O)CCc1nc(-c2ccccc2F)no1 65431040 SNLDQDMSFUETSX-UHFFFAOYSA-N 355.369 3.616 30 50 FHEA N#CC1(C#N)[C@H](c2ccco2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 239310101 IBMRZRRRACSWAL-AQNXPRMDSA-N 355.397 3.660 30 50 FHEA C#CCCC1(CCC(=O)NCC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)N=N1 2325886379 UHDHWGYZEGQANP-ICSRJNTNSA-N 366.509 3.759 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)c1cnc2sc(C)c(C)n2c1=O 55119660 VLASMOPNULEQDW-UHFFFAOYSA-N 373.503 3.571 30 50 FHEA CC(C)c1ncc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)c2C#N)cn1 67712580 LJYZMCKEUCGWQB-UHFFFAOYSA-N 359.389 3.512 30 50 FHEA COc1ccc(CCCNC(=O)c2ccc(-c3ccccc3C#N)nc2)cc1 71763759 DHXIJNGCUYQDIU-UHFFFAOYSA-N 371.440 3.991 30 50 FHEA CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 20617823 DXGZYZDWUUISQU-SFHVURJKSA-N 351.402 3.684 30 50 FHEA COc1cc(/C=N/n2c(SC)nnc2-c2ccccc2)c(Cl)cc1O 1122483 CYSVTPLAYHBIJS-VXLYETTFSA-N 374.853 3.917 30 50 FHEA COc1ccc2c(c1)/C(=N/OC(=O)c1ccc(OC)c(OC)c1)CCC2 1028231 HGYXKQJOJACMFE-HEHNFIMWSA-N 355.390 3.610 30 50 FHEA Clc1ccccc1/C=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1 4551679 LDYKSBXJIKJHJK-KGENOOAVSA-N 370.888 3.776 30 50 FHEA COc1ccc(-c2nnc(S)n2N=C/C=C\c2ccccc2OC)cc1 245253548 HBRXRORBHIQJBC-SVDASAMWSA-N 366.446 3.798 30 50 FHEA COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 4915494 YVQQDLFGTUXOPL-YJBOKZPZSA-N 365.404 3.839 30 50 FHEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)C1CCCCC1 6697710 XJTXMOMURWXJDD-UHFFFAOYSA-N 355.438 3.840 30 50 FHEA C=CCOC(=O)c1s/c(=N\C(=O)c2oc3ccccc3c2C)[nH]c1C 8738244 DPWSJMIGGKUEEL-UHFFFAOYSA-N 356.403 3.523 30 50 FHEA CC(C)CN1CCC(CN(C)Cc2ccc(C#CC(C)(C)O)s2)CC1 20917826 UVUUZUOHBJZOTQ-UHFFFAOYSA-N 362.583 3.670 30 50 FHEA C=C(C)COc1cccc(NC(=O)N[C@@H](CC(C)C)c2ncnn2C)c1 96133772 DNGJYCICDCQLSI-KRWDZBQOSA-N 357.458 3.679 30 50 FHEA COC(=O)c1ncc(N=C(O)c2cc(F)c(F)c(F)c2F)cc1Cl 328595570 YKUZXWHFLYHCIE-UHFFFAOYSA-N 362.666 3.714 30 50 FHEA C#CCOc1cc(C(=O)Nc2c(C)cnn2C2CCCC2)ccc1OC 1529195605 MDSREONCQJAYBI-UHFFFAOYSA-N 353.422 3.580 30 50 FHEA CCOC(=O)C1CCN(c2ncc(/C=N/CCc3ccccc3)s2)CC1 100907623 VITBLHPXXKEKBQ-KGENOOAVSA-N 371.506 3.584 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1coc(COc2ccc(OC)cc2)n1 15073492 RBOXYSQXOANCME-HZPDHXFCSA-N 368.433 3.998 30 50 FHEA Cc1ccc(-c2nc(C#N)c(NCCCNC(=O)OC(C)(C)C)o2)cc1 1857798581 PDQVPDWHJAVBDV-UHFFFAOYSA-N 356.426 3.848 30 50 FHEA COc1ccccc1N1CCN(/N=C/c2c(O)ccc3ccccc23)CC1 946048 ROCGVCRBDSXIBN-XQNSMLJCSA-N 361.445 3.710 30 50 FHEA COc1ccc(Br)c(/C=N/c2cccc3nsnc23)c1O 100337852 FJACTCAGUBACFL-FRKPEAEDSA-N 364.224 3.919 30 50 FHEA C[C@H]1CCCN(c2ccccc2OS(=O)(=O)Cc2cccc(C#N)c2)C1 170623184 GAVNUXDURRUGLU-INIZCTEOSA-N 370.474 3.703 30 50 FHEA C=CC[C@@H]1N(C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CCCC1(C)C 225512083 KDICHCQSNUMJJM-PMACEKPBSA-N 372.509 3.856 30 50 FHEA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2cccc(C#N)c2)cc1 247897283 OZZYSFDGYGYQFU-YADHBBJMSA-N 361.489 3.663 30 50 FHEA CC(O)=Nc1cc(NS(=O)(=O)c2c(F)ccnc2Cl)ccc1C 328595751 DIFXOCOGTLGGOI-UHFFFAOYSA-N 357.794 3.591 30 50 FHEA N#CCOc1ccc(/C=C/C(=O)OCc2ccc(-n3ccnc3)cc2)cc1 2325749440 YYQWZUGKZLBSJB-BJMVGYQFSA-N 359.385 3.531 30 50 FHEA C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 1166694 FHTGKZPXARXLAD-YBEGLDIGSA-N 368.370 3.833 30 50 FHEA COC(=O)c1cc(/N=C/C=C/c2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1 43761149 RXQLPGPZFBPPSC-WTYNHFEKSA-N 368.345 3.584 30 50 FHEA C=CCn1cc(CN2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)cn1 67724087 GEJIDPFBWPEIGM-NRFANRHFSA-N 359.433 3.686 30 50 FHEA N#CC1(c2ccccc2)CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1 244678577 IGDONNVTYSGTQY-UHFFFAOYSA-N 369.415 3.851 30 50 FHEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CC[C@H]([C@@H]2CCOC2)C1 328690790 IMPHXMPPPOOXOF-RBUKOAKNSA-N 365.477 3.885 30 50 FHEA C=CCN1CCN(C(=O)c2ccc(-c3ccc(O)c(C)c3C)cc2)CC1 584887945 NVAKUHPNNLUAPX-UHFFFAOYSA-N 350.462 3.620 30 50 FHEA CCN(c1ccccc1)S(=O)(=O)c1oc(-c2ccc(C)cc2)nc1C#N 1857799710 VIUUHLNPPWUZCA-UHFFFAOYSA-N 367.430 3.737 30 50 FHEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 783753 NEULWMBEEIOQMR-QHCPKHFHSA-N 361.441 3.559 30 50 FHEA CCOC(=O)c1sc(N/N=C/c2ccc(Br)cc2)nc1C 3959054 IOFAULJRDQMOLP-LZYBPNLTSA-N 368.256 3.837 30 50 FHEA C#CCCn1c(-c2ccc3c(c2)COC3)cs/c1=N\c1cnn(CC)c1 137171034 NLDLDVHNSSQTBF-XDOYNYLZSA-N 364.474 3.719 30 50 FHEA N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2 365619453 MEDLBDKZIHNSLO-ICSRJNTNSA-N 374.444 3.875 30 50 FHEA COc1ccccc1[C@H]1CN(Cc2cccc(C#N)c2)[C@@H]2C3CCN(CC3)[C@H]12 72164927 RORJCUQIMACIIZ-GMKZXUHWSA-N 373.500 3.629 30 50 FHEA N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2 239338960 LMIIDBUTDNKZTA-IYVPYFHTSA-N 370.474 3.740 30 50 FHEA O=C(/C=C/C=C/c1ccccc1)C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 4301677 FVXMSCCPIYINBQ-OVYLXHAYSA-N 353.805 3.709 30 50 FHEA CCOc1cccc(-c2nnc(S)n2/N=C/c2c[nH]c3ccccc23)c1 731902 ABVMQLHGTYGUFI-CIAFOILYSA-N 363.446 3.996 30 50 FHEA C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)C1=O 1005897 KUQJOOKDTKOGFL-GXDHUFHOSA-N 365.838 3.807 30 50 FHEA COc1cc(/C=N/O)cc(Br)c1OCc1ccccc1F 16195836 NDIVNUFRSHECLK-QGMBQPNBSA-N 354.175 3.984 30 50 FHEA COc1ccc([C@@H]2C[C@H]([C@@H]3C(=O)CCC[C@@H]3O)C3=C(CCCC3=O)O2)cc1 169615796 QRSLYQPONMQITO-ALGWMNEGSA-N 370.445 3.510 30 50 FHEA Cc1c(C#N)c(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)nc2ccccc12 2356165778 OALRJGWRGIUAFP-GOSISDBHSA-N 371.440 3.991 30 50 FHEA OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2CC2CCOCC2)cc1 65407309 JMTDEHHCQQZGBC-UHFFFAOYSA-N 372.468 3.988 30 50 FHEA C=C(C)Cn1nc(-c2ccco2)nc1C[C@@H](c1ccccc1)n1ccnn1 1875335747 FPXNEQOJSUADTF-KRWDZBQOSA-N 360.421 3.538 30 50 FHEA C=CCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 11761429 KKPJFHGPBLCVPH-FQEVSTJZSA-N 364.445 3.868 30 50 FHEA COCCn1c(C)cc(C(=O)CSc2nc(C)cc(C)c2C#N)c1C 2846077 ZITWEKFFTFKPCB-UHFFFAOYSA-N 357.479 3.610 30 50 FHEA CCCCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1OC 2815738 CFCULSWHKIZYNV-HYARGMPZSA-N 365.433 3.775 30 50 FHEA COc1ccc(F)c([C@H]2c3nc[nH]c3CCN2Cc2ccccc2C#N)c1 67713121 RRDJKUWJJGDLSD-NRFANRHFSA-N 362.408 3.577 30 50 FHEA CC(C)CCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 169300003 FFRJRVNKSZLOCM-DBXWQHBBSA-N 354.555 3.884 30 50 FHEA CC(=O)OC[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)O)CC[C@H]12 254712722 HOGUPSMVUUERKH-NVLJRBADSA-N 374.477 3.762 30 50 FHEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 783754 NEULWMBEEIOQMR-HSZRJFAPSA-N 361.441 3.559 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2C#N)C[C@@H]1c1ccccc1 1080024 OLWLAXYIZFLXQE-NQIIRXRSSA-N 360.413 3.790 30 50 FHEA O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Cl)cn2)c1O 6221962 QVSLXXSCVPFCRL-PJQLUOCWSA-N 356.563 3.862 30 50 FHEA CC(=O)N1CCCN(c2ccc(F)cc2N=C(O)[C@H]2C[C@@H]2C2CC2)CC1 329883313 QWZNJQVGPBBAHS-SJORKVTESA-N 359.445 3.518 30 50 FHEA C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 252479371 BDTXPSMQIOEQLT-CABCVRRESA-N 373.467 3.688 30 50 FHEA C=C/C=C/CC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O 33844942 VJFUPGQZSXIULQ-DMMMAJPFSA-N 372.461 3.711 30 50 FHEA CCOc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1OCC 5013622 YGBSJFWVMCXUNR-UHFFFAOYSA-N 362.813 3.615 30 50 FHEA Cn1/c(=N/N=C/c2cc(Br)ccc2O)sc2ccccc21 13898539 OMKHBFPPMYCSQH-JTWUEKBUSA-N 362.252 3.643 30 50 FHEA O=C1C[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914722 ACQSSVHQYWANGK-PBHICJAKSA-N 353.368 3.969 30 50 FHEA C=CCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 12579196 AZLZJNCPUKTRPR-UHFFFAOYSA-N 367.453 3.575 30 50 FHEA COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 218257332 KDIPKYAWTYZYJO-ZDUSSCGKSA-N 372.323 3.503 30 50 FHEA C=CCOc1ccc(CN[C@]2(CO)CCOc3ccccc32)cc1Cl 225649580 CZJAJVKRQMDNHD-FQEVSTJZSA-N 359.853 3.665 30 50 FHEA N#Cc1cc(F)cc(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)c1 826768248 QAQQKJVJABXPSC-IBGZPJMESA-N 354.381 3.898 30 50 FHEA C#CCCC1(CCC(=O)N(C)[C@@H](CN2CCCC2)c2ccccc2)N=N1 2325891801 XBRKKEKOVMYUCQ-IBGZPJMESA-N 352.482 3.638 30 50 FHEA N#CCCCS(=O)(=O)Oc1ccccc1Oc1ccc(C#N)cc1F 156296828 QEBNBAOVYUMPMQ-UHFFFAOYSA-N 360.366 3.502 30 50 FHEA COc1cccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)c1OC 5996698 OACQKWFDNZVSOC-VXLYETTFSA-N 358.398 3.646 30 50 FHEA Cc1cccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)c1 5102286 QTBOWNDRFDSYJZ-ZMOGYAJESA-N 359.433 3.811 30 50 FHEA CCCn1c(N)[n+](CC(=O)c2ccc(Br)cc2)c2ccccc21 5311319 YELAAUDTGMRTAY-UHFFFAOYSA-O 373.274 3.566 30 50 FHEA N#Cc1ccccc1-c1ccc(-c2nccn2C[C@H]2CC(=O)N(C3CC3)C2)o1 1857679676 PZKZLZMJMZUEJP-OAHLLOKOSA-N 372.428 3.693 30 50 FHEA C=CCOc1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1Cl 225649553 CZJAJVKRQMDNHD-HXUWFJFHSA-N 359.853 3.665 30 50 FHEA OC(=Nc1c[nH]nc1[C@H]1CCCN(Cc2ccccn2)C1)C1CCCC1 329514411 CUTRQIQDXFJEHK-INIZCTEOSA-N 353.470 3.963 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 626275 GFDTWMMIHOBFFQ-GOSISDBHSA-N 355.434 3.559 30 50 FHEA N#Cc1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 2205133 KEGCIEVHFREQJX-UHFFFAOYSA-N 370.441 3.888 30 50 FHEA O=C(C[n+]1c(-c2ccccc2)cn2ccccc21)c1cccc([N+](=O)[O-])c1 17179965 UPWLSOBQQNFUAH-UHFFFAOYSA-N 358.377 3.685 30 50 FHEA CC(C)(C(O)=Nc1nnc(CC2CCCCC2)s1)S(=O)(=O)C1CC1 328835832 MNFKJRKMRXIKOZ-UHFFFAOYSA-N 371.528 3.605 30 50 FHEA CN(C)c1nccc(C/N=C(/O)Nc2ncc(C3CCCCC3)s2)n1 329462796 QGMUVLGRNYNVAK-UHFFFAOYSA-N 360.487 3.573 30 50 FHEA CCOc1cc(/C=N/n2c(-c3cccc(OC)c3)n[nH]c2=S)ccc1O 1478944 CAQNUVSGLYXLLY-YBFXNURJSA-N 370.434 3.603 30 50 FHEA CCN(CC)C(=O)C(=O)c1cn(Cc2ccccc2C#N)c2ccccc12 4759130 GKCGYKGAUJRCIW-UHFFFAOYSA-N 359.429 3.612 30 50 FHEA COc1ccccc1N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 17837096 XCVBOXZPHOQOBA-UHFFFAOYSA-N 363.442 3.535 30 50 FHEA CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 19638446 DZDOZMRCAIHYNJ-SFHVURJKSA-N 370.405 3.514 30 50 FHEA Cc1ccc(OC[C@@H]2CCCN(Cc3cc(C#CCO)cs3)C2)cc1 55371104 KAVXHZDRFDBUKC-LJQANCHMSA-N 355.503 3.691 30 50 FHEA O=C1C[C@@H](/N=C(/O)Nc2nc3ccsc3s2)CN1C1CCCCC1 329174533 LYDSQKDBGFMWIF-SNVBAGLBSA-N 364.496 3.617 30 50 FHEA C#CCCC1(CCC(=O)NCc2c(C)nn(-c3ccccc3C)c2C)N=N1 2325892308 IMRQAPHBRABMFQ-UHFFFAOYSA-N 363.465 3.769 30 50 FHEA COC(=O)c1cc(C(=O)/C=C(\OC)c2cc(C(C)=O)ccc2F)ccc1F 170622781 LDHPTXQZSGZMTI-GRSHGNNSSA-N 374.339 3.824 30 50 FHEA C=CCn1c(CN(C)Cc2ccc(C)o2)nnc1SCC(=C)Cl 12040112 KRGCXWAMBZEQOZ-UHFFFAOYSA-N 352.891 3.842 30 50 FHEA COCC1(O)CCN(/C(O)=N/CC2(C3CCCCC3)CCCCC2)CC1 329029182 KTAFPKGWVAFBSA-UHFFFAOYSA-N 366.546 3.905 30 50 FHEA O=C(C1CCC(/N=C(/O)C2CC2)CC1)N(C[C@@H]1CCCO1)C1CCCC1 330036492 YGZZXXPXJGIVLX-TVPLGVNVSA-N 362.514 3.862 30 50 FHEA CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 18168084 WIOGEZIINGXNPI-FQEVSTJZSA-N 373.449 3.524 30 50 FHEA C=CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 1803472 XTNPDALGDVOCLE-FQEVSTJZSA-N 368.502 3.712 30 50 FHEA C=CCN1C(=O)[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 2857963 XRTWYXHWHCIHLR-QHCPKHFHSA-N 363.457 3.913 30 50 FHEA N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2 365619458 MEDLBDKZIHNSLO-UYAOXDASSA-N 374.444 3.875 30 50 FHEA C=CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 12343879 BJPGURCNRORCDO-DFSFMLJYSA-N 361.488 3.632 30 50 FHEA CCn1ccnc1[C@@H]1CCCCN1C(O)=Nc1cnc2c(c1)CCCC2 330286175 AGFKBMFTBQDCPB-SFHVURJKSA-N 353.470 3.950 30 50 FHEA CC(C)c1noc([C@H](C)NC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)n1 426490570 LHOCYYDCAGZHJS-ZDUSSCGKSA-N 361.405 3.618 30 50 FHEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)N=N1 952880295 JXBYGSVGJQWRCP-INIZCTEOSA-N 372.900 3.947 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)N=N1 1875382288 XESVMLDEUKFQDX-CYBMUJFWSA-N 369.400 3.717 30 50 FHEA C(=N/c1nc2ccccc2n1CCN1CCCC1)\c1ccc2c(c1)OCO2 1195540 HXTVQQNRBUTIJA-HYARGMPZSA-N 362.433 3.611 30 50 FHEA CCOC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CCCC2 972642 CQYRTTHFLZRAGB-UHFFFAOYSA-N 353.443 3.794 30 50 FHEA CC(=O)N[C@@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 4321685 HYHZYFKITSMITF-LBPRGKRZSA-N 366.701 3.743 30 50 FHEA N#Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1Cl 12864646 BGOYBSDMUPGIJZ-UHFFFAOYSA-N 373.865 3.764 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)C1CCN(C(=O)CC(C)C)CC1 55324995 SBNDNYIKJLYBLB-UHFFFAOYSA-N 362.539 3.856 30 50 FHEA N#Cc1ccc(NC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1 299785551 JZVPZYYVABBLSY-CTNGQTDRSA-N 360.461 3.687 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](Cc2ccccc2)Cc2cscn2)N=N1 2325892437 NLDGSYOUQWTZCQ-QGZVFWFLSA-N 366.490 3.769 30 50 FHEA C=CCS[C@H](C)C(=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 55310758 YAJCFDYNEVKQIQ-OAHLLOKOSA-N 370.474 3.647 30 50 FHEA OC(CN1CCOCc2ccccc21)=Nc1ccc(N2CCCCC2)nc1 329899835 FUPDPGXATDZZFQ-UHFFFAOYSA-N 366.465 3.697 30 50 FHEA N#CCc1ccc(OCCN2CCC(c3ccccc3CO)CC2)cc1 2325749101 NBCMPOXBWZRGJV-UHFFFAOYSA-N 350.462 3.503 30 50 FHEA COc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2ccccc2)cc1 3354150 IFYIXWCSKWPHLZ-UHFFFAOYSA-N 361.401 3.829 30 50 FHEA C=CCn1c(CC(C)C)nnc1SCC(=O)Nc1cc(C)ccc1OC 6701135 UVMLWBITTCHOHK-UHFFFAOYSA-N 374.510 3.710 30 50 FHEA C=CCN(Cc1ccc(C)s1)C(=O)c1cc(-c2cnn(C)c2C)on1 55088708 NSCUGYVURRIVTR-UHFFFAOYSA-N 356.451 3.582 30 50 FHEA N#CC1(C2CCCC2)CCN(C(=O)[C@@H]2CCNc3ccccc3C2)CC1 2325805157 UNUPALJDQPETPQ-GOSISDBHSA-N 351.494 3.983 30 50 FHEA Cc1ccc([C@@]23C[C@@H]2CN(c2ccc(Br)c(C#N)n2)C3)cc1 2325867491 XPNWFGOQXUAQGJ-KDOFPFPSSA-N 354.251 3.802 30 50 FHEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccccc2Cl)cc1 6876126 UNDISUIKXILGCQ-YBFXNURJSA-N 373.869 3.864 30 50 FHEA CCOC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@H]1C/C=N/O 102319101 RSZALTHHHIVRCG-RUQKSMGSSA-N 363.498 3.930 30 50 FHEA C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C1 126205874 BAJIGTLSQNJEEY-IVZQSRNASA-N 361.445 3.886 30 50 FHEA COc1cc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)c(OC)cc1SC 71419391 OUDAGLDWLFVDLO-UHFFFAOYSA-N 366.446 3.937 30 50 FHEA CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 311370007 IFJWJPDSTVBPQI-UHFFFAOYSA-N 363.389 3.817 30 50 FHEA O=C1c2ccccc2N[C@@H](c2ccccc2O)N1/N=C/c1ccccc1O 849523 AGTQNRSMKCRTKH-CCULFSDZSA-N 359.385 3.698 30 50 FHEA N#Cc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 2874081 KJSLSSWBIQUOAC-UHFFFAOYSA-N 365.614 3.992 30 50 FHEA CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 170008765 TWCHDIUTZFVAHM-UHFFFAOYSA-N 353.655 3.986 30 50 FHEA C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)cc1)C2 4911998 KYYTVAWZNKHZGX-OAHLLOKOSA-N 353.418 3.977 30 50 FHEA Cc1cc(C)c2nc(N=C(O)c3cncc(N4CCOCC4)c3)sc2c1 328886079 ZOFJNRBKVRYYLQ-UHFFFAOYSA-N 368.462 3.781 30 50 FHEA N#Cc1ccccc1-c1ccc(CN2CCCN(Cc3cccnc3)CC2)o1 216233068 GNKXXRHSAGQYFF-UHFFFAOYSA-N 372.472 3.921 30 50 FHEA CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccc(F)cc1)C(C#N)C#N 12379253 QMPVYGCTGXENIZ-MOPGFXCFSA-N 367.355 3.556 30 50 FHEA C=CCn1c([C@H](C)CC)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 252479373 BDTXPSMQIOEQLT-HUUCEWRRSA-N 373.467 3.688 30 50 FHEA CC[C@H](C)n1ncc(N=C(O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1C1CC1 328939860 SCBZWDGQMJVZHG-YXJHDRRASA-N 359.518 3.693 30 50 FHEA COc1cc(N=C(O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)ccn1 329462265 TWKTTXVTIDTNII-ZDUSSCGKSA-N 372.494 3.851 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 1205507 PLRCSDSMQBKJJP-IBGZPJMESA-N 350.418 3.550 30 50 FHEA C[C@@]12OC(=N)[C@@](C#N)([C@@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1ccccc1)O2 230004068 SECSTAJUVLINRG-BAYUQKDNSA-N 368.396 3.809 30 50 FHEA CC(=O)O[C@H]1CC[C@@]2(/C=N/O)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 261490496 JIIVOVFNPCJNDJ-AWARVMJISA-N 359.466 3.890 30 50 FHEA N#Cc1ccc(N=C(O)CCN2CCOC[C@@H](C3CCC3)C2)cc1Cl 330246140 LBYJUTNNCSEAOB-INIZCTEOSA-N 361.873 3.938 30 50 FHEA COC(=O)[C@@H]1C(=O)/C(=C(\C)Nc2cccc3ccccc23)C(=O)CC1(C)C 100281829 XAPWKYSDNTYLLY-BIRYMOPTSA-N 365.429 3.883 30 50 FHEA COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc(OC)c1O 67724827 XUIZJTFGLYVAQR-UHFFFAOYSA-N 353.422 3.584 30 50 FHEA Cc1ccc(-c2cccnc2)cc1N=C(O)C1(N2CCOCC2)CCC1 330094165 SMZOEGOTCSRJGO-UHFFFAOYSA-N 351.450 3.900 30 50 FHEA Cc1nc(C#N)c(N2CCC(C(=O)N3CCC=Cc4ccccc43)CC2)o1 194217467 WTVKZRHGCPBSBY-UHFFFAOYSA-N 362.433 3.521 30 50 FHEA Cn1cccc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1Cl 1303181 CNLDMALHCJNTIR-CAOOACKPSA-N 352.250 3.761 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 2848352 XXXPLTUTQRCROU-UHFFFAOYSA-N 350.447 3.862 30 50 FHEA N#Cc1cccc(C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)c1 215831938 FDOKOGBPNAUEJW-UHFFFAOYSA-N 362.820 3.800 30 50 FHEA N#Cc1ccccc1-c1cccc(C(=O)N2CCN(CC(F)(F)F)CC2)c1 426535638 QDKAJESMMCKPGX-UHFFFAOYSA-N 373.378 3.545 30 50 FHEA CC[C@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O 95351776 CTTKTCKPTWQXNK-OZNQOIHVSA-N 374.487 3.725 30 50 FHEA Cc1ccc([C@H]2O[C@@]34CCCCC[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 245311641 PKDKTLASUVQSFI-KJNZLNQQSA-N 360.417 3.894 30 50 FHEA C[C@@H](CNC(=O)N=c1ccn(-c2cccc(F)c2C#N)[nH]1)C1CCCCC1 2325852887 XDOYHTREEQTKIK-AWEZNQCLSA-N 369.444 3.643 30 50 FHEA COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c(OC)c1 1473723 JJXCTFJKEBPRLJ-VXLYETTFSA-N 374.853 3.787 30 50 FHEA Cc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Br)o1 6054784 GGGHRTDKBZESHZ-LZYBPNLTSA-N 363.240 3.780 30 50 FHEA C=CCN(CC=C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C 15067754 OJFVRISUBJFJGV-UHFFFAOYSA-N 365.462 3.513 30 50 FHEA COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(O)c2)C1=O 4755503 QACUBQWCGAZUDO-PTNGSMBKSA-N 353.399 3.546 30 50 FHEA C=CCS[C@@H](C)C(=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 55310752 YAJCFDYNEVKQIQ-HNNXBMFYSA-N 370.474 3.647 30 50 FHEA C#CCOC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1 3041716 ZODXMFGEIKCIHC-UHFFFAOYSA-N 370.619 3.647 30 50 FHEA C=CCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1Br 4170910 PPSSJUATBDWHDO-WQLSENKSSA-N 354.225 3.680 30 50 FHEA N#Cc1ccccc1CN1CCC[C@H](c2nccn2Cc2cscn2)C1 95386811 ILOWWZVAULOYDL-SFHVURJKSA-N 363.490 3.639 30 50 FHEA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(-c4ccc(C#N)nc4)cc3)C2)n1 534590029 UZJIAYHEYYJZSR-NRFANRHFSA-N 371.444 3.521 30 50 FHEA CCS(=O)(=O)c1ccc(CNc2nc3ccccc3cc2C#N)s1 795180082 PXAFXSXVJOTADU-UHFFFAOYSA-N 357.460 3.574 30 50 FHEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccccc1F 5895897 QJLOLJHHESSHRI-HOGMWEGNSA-N 354.410 3.929 30 50 FHEA Cc1nn(-c2ccccc2)c(C)c1/C=N\N1CCN(c2ccccc2)CC1 12372215 ITEMLMXMYOMKQF-QJOMJCCJSA-N 359.477 3.645 30 50 FHEA CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 18195058 ZAGZDRXGPOHPTF-NRFANRHFSA-N 373.456 3.997 30 50 FHEA Cc1ccc(CN2CCN(/N=C\c3cccc(Br)c3)CC2)cc1 19773049 IIEOAQAMKHLNTE-STZFKDTASA-N 372.310 3.909 30 50 FHEA N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)cc1 849548 ZOXFXPZJXICCBF-MOPGFXCFSA-N 362.385 3.956 30 50 FHEA Cc1ccc(C)c(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C#N)c3)n2)c1 6767368 VUTJCUHYIRUOAD-MRXNPFEDSA-N 372.428 3.599 30 50 FHEA C=C(C)C(C)(C)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 71752510 YAKPZRCQBIUJAF-UHFFFAOYSA-N 364.493 3.697 30 50 FHEA CC(C)(C)OC(=O)N[C@@H](c1ccc(C#N)cc1)S(=O)(=O)c1ccccc1 139378603 WRSNHXTZVJGPKK-QGZVFWFLSA-N 372.446 3.555 30 50 FHEA Cn1cccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 239030892 CNLDMALHCJNTIR-UHFFFAOYSA-N 352.250 3.761 30 50 FHEA Cc1nc2c(s1)[C@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CCC2 777319141 ZSCYABHVCYHQSC-ZWKOTPCHSA-N 367.474 3.913 30 50 FHEA Cc1ccc(Nc2nc(COC(=O)c3cccc(C#N)n3)cs2)cc1 811253251 SDYFETHIPNGXBO-UHFFFAOYSA-N 350.403 3.819 30 50 FHEA C=C[C@](C)(O)CCC[C@H](C)C(=O)N1CCc2ccc(C(C)=O)cc2CC1 2325807049 WRXUNYQSTFIMRY-AOMKIAJQSA-N 357.494 3.560 30 50 FHEA O=C(C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 2566613 YCAHTGLVMDENOA-SECBINFHSA-N 350.205 3.791 30 50 FHEA O=C(NCc1ccccc1F)c1ccc(C#CC2(O)CCCCC2)cc1 2853798 RBHDEMMJSBECGN-UHFFFAOYSA-N 351.421 3.802 30 50 FHEA COC(=O)/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccccc1 100706367 SNLPBXQBOOKXJQ-RVDMUPIBSA-N 360.207 3.801 30 50 FHEA COc1ccc2c(c1)OC[C@H](/N=C(/O)N1CCC[C@@H]1c1cccs1)C2 328994167 JFHMJJCUNQBKEC-GDBMZVCRSA-N 358.463 3.811 30 50 FHEA N#CCCCn1cc(C(=O)N2CCC(c3ccncn3)CC2)c2ccccc21 412429089 CYQJZCGXMZYCLV-UHFFFAOYSA-N 373.460 3.755 30 50 FHEA C#Cc1ccc(CN[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cc1 20453222 RDDCKIJCZLIPGU-GOSISDBHSA-N 359.395 3.840 30 50 FHEA C=CCn1c(SCC(=O)OC)nnc1-c1ccc(OC2CCCC2)cc1 17076482 XZAVYAVJECIKFE-UHFFFAOYSA-N 373.478 3.718 30 50 FHEA C=C(C)CN(C)Cc1cccc(OC[C@H](O)CN(C)C2CCCCC2)c1 12056875 HUAHMDURZZEMML-OAQYLSRUSA-N 360.542 3.699 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1F 849084 FIDNKRFYVNCMDJ-MRXNPFEDSA-N 368.389 3.924 30 50 FHEA Cc1cc(C)nc(/N=C(\N)Nc2ccc(OCCc3ccccc3)cc2)n1 19707155 CPZQPYDGSZKLAB-UHFFFAOYSA-N 361.449 3.773 30 50 FHEA O/C(=N/CCc1nc2c(s1)CCCC2)N1CCOC[C@H]1c1ccccc1 329022434 IHVYSDSKIHRMMX-KRWDZBQOSA-N 371.506 3.552 30 50 FHEA C#CCCC1(CCNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)N=N1 1875380832 BFTQAZXLHZMUJZ-UHFFFAOYSA-N 364.405 3.536 30 50 FHEA N#C[C@H](C(=O)[C@H]1C[C@H]2C[C@@H](O)C[C@H](C2)C1)c1nc(-c2ccncc2)cs1 2325807180 GMXKYLWEWANBLX-PEHHYFEISA-N 367.474 3.569 30 50 FHEA Cc1ccc2cc(C3(O)CCN(C(=O)c4ccccc4C#N)CC3)ccc2n1 67588093 BIRQQURBHNYLOD-UHFFFAOYSA-N 371.440 3.539 30 50 FHEA Cc1cccc(NC(=O)c2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)c1C#N 67696258 BMGBPGZLZNHEPH-CALCHBBNSA-N 363.461 3.728 30 50 FHEA COc1cc2c(cc1OC)[C@H](C#N)N(C)[C@@H](Cc1c[nH]c3ccccc13)C2 71769233 LIFURDFPQZSGJI-UZLBHIALSA-N 361.445 3.849 30 50 FHEA CCN1CC2(CCN(c3cc(C#N)ccn3)CC2)C[C@@H](c2ccccc2)C1=O 91645864 XBPCCFUDOBRLFM-FQEVSTJZSA-N 374.488 3.576 30 50 FHEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccccc2)n1 170017008 MLWHGQMJFMKGLY-UHFFFAOYSA-N 370.258 3.633 30 50 FHEA C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 203654188 KFTWYIAAHLUIBS-AWEZNQCLSA-N 361.291 3.614 30 50 FHEA C[C@@H](/N=C(/O)CC1CCCCC1)C(=O)N1CCC(Cc2ncc[nH]2)CC1 329198400 VPKKLPXHMDCBPE-OAHLLOKOSA-N 360.502 3.506 30 50 FHEA CCN(CC)c1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1 2506354 QKXWJKSXSPJCIA-XSFVSMFZSA-N 356.495 3.862 30 50 FHEA C=CCOc1c(Cl)cc(CN[C@H](C)Cc2cnccn2)cc1OCC 55370889 RMBFTJNXZWHXNN-CQSZACIVSA-N 361.873 3.814 30 50 FHEA C=C(C)C(=O)O[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CC(O)(C(F)(F)F)C(F)(F)F 256166018 VRGGMPGFYAQUIC-MMWGEVLESA-N 360.294 3.766 30 50 FHEA CN1CC[C@@]2(CCCN(C(=O)c3ccc(-c4cccc(C#N)c4)cc3)C2)C1 426518278 ICGHPDLONUQNKA-QHCPKHFHSA-N 359.473 3.783 30 50 FHEA Cn1cc(/C(O)=N/CCc2cnc(C3CC3)nc2)c(C2CCCCC2)n1 328855638 JYFNKJZNPGKPFG-UHFFFAOYSA-N 353.470 3.683 30 50 FHEA Cc1nc2cc(N=C(O)N3CCC[C@H](Oc4ncccc4F)C3)ccc2o1 330162967 AOXQPUHULNLPAN-AWEZNQCLSA-N 370.384 3.759 30 50 FHEA N#Cc1ccnc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 286227263 JNALQGOKNFOSNE-OAHLLOKOSA-N 359.351 3.992 30 50 FHEA Cc1ccc(Sc2ccc(NC(=O)N[C@H]3CNC[C@@H]3C#N)cc2)cc1C 841033525 PZNOTYMITQRDRU-KXBFYZLASA-N 366.490 3.688 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CCCc1nc(-c2ccncc2)no1 1506396172 PDQLRYYZQLETSS-NVXWUHKLSA-N 352.438 3.576 30 50 FHEA N#Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 4832856 LKWTZHOVVQQWKX-UHFFFAOYSA-N 369.837 3.728 30 50 FHEA C=CCSc1nc(O)c(C(c2ccccc2)c2ccccc2)c(=O)[nH]1 8738165 HCLDHLGKUROSBI-UHFFFAOYSA-N 350.443 3.934 30 50 FHEA N#Cc1ccc(N2CCC[C@H](Sc3ccc([N+](=O)[O-])cc3F)C2=O)cc1 170610386 GOGHCVDIQYXUNR-KRWDZBQOSA-N 371.393 3.893 30 50 FHEA COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1[N+](=O)[O-] 1111592 NMNDTKBWKJIPJS-SNVBAGLBSA-N 371.418 3.914 30 50 FHEA O=C1N/C(=N/c2ccc(Cl)cc2)S[C@H]1Cc1ccccc1[N+](=O)[O-] 13382037 PXXCPVPYRLIKIV-AWEZNQCLSA-N 361.810 3.710 30 50 FHEA CN(C)c1ccc(N[C@@H]2CCCN(C(O)=Nc3ccsc3)CC2)cn1 328656513 ZJKOVBDCZXPCDJ-CQSZACIVSA-N 359.499 3.721 30 50 FHEA C#CCCC1(CCC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)N=N1 952880831 MARRMMXEWMWSTN-UHFFFAOYSA-N 373.884 3.860 30 50 FHEA CN(CCn1ccc2ccccc21)C(=O)c1ccc(C#CC(C)(C)O)cc1 952991539 UGTFQSRXVHBHIS-UHFFFAOYSA-N 360.457 3.536 30 50 FHEA C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 2812179 JKYDUXCXFCOPEC-KRWDZBQOSA-N 364.445 3.860 30 50 FHEA COc1ccc(-c2nc(CN3CCC(C#N)CC3)c(C)o2)c(OC)c1C 67869348 OVLVCGLPPSWANY-UHFFFAOYSA-N 355.438 3.711 30 50 FHEA CCC(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1 20827026 XFEARCQMKYYFAK-UHFFFAOYSA-N 374.488 3.558 30 50 FHEA COC(=O)/C=C1\CC[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257358072 RMDJMPHXGCYQJX-FXTFKWBPSA-N 374.452 3.745 30 50 FHEA O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(I)cc2)c1 254749498 GDYAMKYKYQKABR-UHFFFAOYSA-N 368.130 3.656 30 50 FHEA N#CC1(c2ccccc2)CCN(C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 299774475 IUUINSYMKKZIFG-LJQANCHMSA-N 359.473 3.597 30 50 FHEA CC(C)COc1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1 169746287 VVMZHSGGZYYKRX-UHFFFAOYSA-N 355.081 3.783 30 50 FHEA in-vitro CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cc(OC)cc(OC)c1 170618288 ZHORSRSJWUTTPD-PXNSSMCTSA-N 370.401 3.616 30 50 FHEA C=CCC1(CC=C)CCCCN1C(=O)c1cn(Cc2ccc(F)cc2)nn1 11874717 NJXCAONVMGNPEL-UHFFFAOYSA-N 368.456 3.983 30 50 FHEA O=C1O[C@@H](c2ccc(Br)cc2)C(C(=O)c2ccccc2)=C1O 4149816 KRJSLDWQMSWTAM-INIZCTEOSA-N 359.175 3.742 30 50 FHEA O=C(C[n+]1ccc(-c2cccc(Br)c2)nc1)c1ccc(F)cc1 5713879 GZIQEPZZPMPIIT-UHFFFAOYSA-N 372.217 3.821 30 50 FHEA C=CCn1ncc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1C 67872496 DZSUNOBCLPJCJM-UHFFFAOYSA-N 370.403 3.869 30 50 FHEA Cc1ccc(NC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 196261949 UNUJQKBUMVFQJX-UHFFFAOYSA-N 352.243 3.938 30 50 FHEA Cn1cccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 244678930 IMLVFERGRRBSCH-UHFFFAOYSA-N 356.473 3.747 30 50 FHEA CC(O)=Nc1cccc2c1N(S(=O)(=O)c1cccc(CC#N)c1)CCC2 328594170 WCTFQXUTTILHPE-UHFFFAOYSA-N 369.446 3.502 30 50 FHEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CC[C@@H]([C@H]2CCOC2)C1 328690788 IMPHXMPPPOOXOF-MOPGFXCFSA-N 365.477 3.885 30 50 FHEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(F)c(Br)c1 4912453 NMVJTZIHYXNANJ-SNVBAGLBSA-N 366.230 3.835 30 50 FHEA CC1(C)OB(c2cc(NC(=O)OCc3ccccc3)ccc2F)OC1(C)C 1772572692 CGLIVPJCORIBJP-UHFFFAOYSA-N 371.217 3.874 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 19313831 YDTNWHPMAHEXLA-LAUBAEHRSA-N 374.440 3.616 30 50 FHEA Cc1cc(OCC(=O)Nc2ccccc2C#N)cc(C)c1Br 1159864 FEFKKCHNZRRHFD-UHFFFAOYSA-N 359.223 3.955 30 50 FHEA N#C[C@@H](C(=O)[C@H]1C[C@H]2C[C@@H](O)C[C@H](C2)C1)c1nc(-c2ccncc2)cs1 2325807179 GMXKYLWEWANBLX-GWCDLVAZSA-N 367.474 3.569 30 50 FHEA C=CCc1cccc(OC)c1OCCCCn1cnc2ccccc2c1=O 4560172 ARGHFVOGJQPJIJ-UHFFFAOYSA-N 364.445 3.993 30 50 FHEA CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c2ncccc12 170007253 LQOLESFWXBQLQR-UHFFFAOYSA-N 370.258 3.881 30 50 FHEA CC(C)(C)OC(=O)N[C@H](c1ccc(C#N)cc1)S(=O)(=O)c1ccccc1 139378714 WRSNHXTZVJGPKK-KRWDZBQOSA-N 372.446 3.555 30 50 FHEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C 253501774 QXTWZEGENLVVRE-PTROGCMSSA-N 368.473 3.961 30 50 FHEA CC[C@H](/N=C(/O)N1CC[C@H](C)[C@H]1CO)c1cc(F)cc(Br)c1 331302625 XIIQLBOLYBBYQP-NZVBXONLSA-N 373.266 3.656 30 50 FHEA CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccco1 4083029 LUDYOKCZETWCOX-VSKRKVRLSA-N 367.445 3.987 30 50 FHEA C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OC)SC1=S 15016677 COCFJEMHTTWWBQ-WJDWOHSUSA-N 362.520 3.929 30 50 FHEA Cc1nc[nH]c1-c1cc(-c2ccc(N3CCCCC3)cc2)nc(N)c1C#N 71498038 VVITTWZELORDGU-UHFFFAOYSA-N 358.449 3.891 30 50 FHEA Cc1ccc(S(=O)(=O)OCC/C=C/CCCO[C@H]2CCCCO2)cc1 222333912 HYUWKPPUUIRJQQ-NLJSWGTCSA-N 368.495 3.970 30 50 FHEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CC[C@@H]([C@@H]2CCOC2)C1 328690791 IMPHXMPPPOOXOF-RTBURBONSA-N 365.477 3.885 30 50 FHEA COc1cc(Cl)c(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1OC 71752856 KZRXHVWGFDJTPP-UHFFFAOYSA-N 354.797 3.868 30 50 FHEA CCOC(=O)N1CCN(CCC[C@](C#N)(c2ccccc2C)C(C)C)CC1 71782651 MKJGCXRAZMAYQK-JOCHJYFZSA-N 371.525 3.967 30 50 FHEA CN(C)/C=C/C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 72233811 YDZYOZUOSYKTFG-SDNWHVSQSA-N 358.482 3.600 30 50 FHEA Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2cccc3ccccc23)n1 9483684 FJFLYFMSTNKZKA-UHFFFAOYSA-N 368.400 3.556 30 50 FHEA COc1cc(OC)c(-c2cc(-c3ccccn3)nc(N)c2C#N)cc1Cl 67784597 XWXAIMHAIKWUQC-UHFFFAOYSA-N 366.808 3.935 30 50 FHEA C/C(O)=N/CCN(C(=O)CCC(C)C)c1ccc(Br)cn1 328589896 NQIUPDGCCRZRGF-UHFFFAOYSA-N 356.264 3.590 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OP(=O)(O)O 253499802 NWJXKHVJFGAOMY-LHIBYTEYSA-N 368.410 3.996 30 50 FHEA biogenic CCCCCCCCCCS(=O)(=O)N/N=C/c1cccc([N+](=O)[O-])c1 98002604 ZQVFOGMBLZCEOQ-OBGWFSINSA-N 369.487 3.989 30 50 FHEA N#Cc1ccc(OCC(=O)Nc2ccc(CN3CCCCCC3)cc2)cc1 170639797 VTJBYHDKCPYUBA-UHFFFAOYSA-N 363.461 3.952 30 50 FHEA N#Cc1cccc(C(=O)N=c2nc(-c3cccc(C(F)(F)F)c3)[nH]s2)c1 1875315721 FNSOWFSEKMTGMJ-UHFFFAOYSA-N 374.347 3.770 30 50 FHEA CCOc1cc(C#N)cc(I)c1OCCC(C)C 4829098 KNJYVTXABIGGPR-UHFFFAOYSA-N 359.207 3.986 30 50 FHEA CCn1ncc(Br)c1C(=O)/C=C/c1cc(OC)ccc1OC 6556023 HQEAYCALNRWHDU-FNORWQNLSA-N 365.227 3.579 30 50 FHEA Cc1ccc(S(=O)(=O)OCC/C=C\CCCO[C@H]2CCCCO2)cc1 43761494 HYUWKPPUUIRJQQ-VSERLBFKSA-N 368.495 3.970 30 50 FHEA N#Cc1c(Br)cccc1N1CCN(Cc2ccccc2)CC1 95080979 VXEZVBPGJVTZTI-UHFFFAOYSA-N 356.267 3.643 30 50 FHEA Cc1ccc(/N=C2\NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3)S2)cc1 1295714 WFXSOXCVZVJCNR-MRXNPFEDSA-N 353.447 3.551 30 50 FHEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2oc3cc(OC)ccc3c2C)C1 91872995 KCQBBQGTERHSNS-HXUWFJFHSA-N 357.406 3.633 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)cc2OC)cc1 1254697 PYSDDYAEUJQQIW-YBFXNURJSA-N 370.434 3.516 30 50 FHEA Cn1c(=N/C=C\C(=O)c2ccc(Br)cc2)[nH]c2ccccc21 2325809502 CAFOMNWHNHXPKU-KHPPLWFESA-N 356.223 3.566 30 50 FHEA C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 1070375 WERKWYOSCWYONN-UHFFFAOYSA-N 358.398 3.594 30 50 FHEA CN(C)C(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 33815025 TYYVMWTWMVOKBB-PZJWPPBQSA-N 351.402 3.749 30 50 FHEA CC1(C)Cc2nc(/N=C(\S)Nc3ccccc3)c(C(=O)O)cc2CO1 5092051 STTFDYRJKIOLEG-UHFFFAOYSA-N 357.435 3.661 30 50 FHEA CC#CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 12314524 PBLXDEILEVXURZ-FQEVSTJZSA-N 360.457 3.862 30 50 FHEA Cc1ccn(-c2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)n1 1875265365 SCZKFXIIVGWCIE-UHFFFAOYSA-N 369.384 3.960 30 50 FHEA C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 2812180 JKYDUXCXFCOPEC-QGZVFWFLSA-N 364.445 3.860 30 50 FHEA CN1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccccc2C#N)C1 95527817 UUXNEWNWYLPKEQ-HXUWFJFHSA-N 361.489 3.585 30 50 FHEA C=CCNC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 12300214 YHTAQOCQQGHCPV-UHFFFAOYSA-N 351.353 3.997 30 50 FHEA Cc1noc([C@H]2CCN(c3oc(-c4ccc(Cl)cc4)nc3C#N)C2)n1 1857798759 AEHNLZRJFBUBHX-LBPRGKRZSA-N 355.785 3.552 30 50 FHEA N#Cc1ccccc1COc1ccc(C(=S)N2CCOCC2)cc1Cl 1072720 BCNGNAZKONQZBO-UHFFFAOYSA-N 372.877 3.798 30 50 FHEA C=C(C)CN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1 4865648 RLBXKGMQHYUJSJ-UHFFFAOYSA-N 363.465 3.533 30 50 FHEA C=CCOc1c(Br)cc(CNCc2ccncc2)cc1OC 6703505 ZEFCTJWEMROPGA-UHFFFAOYSA-N 363.255 3.707 30 50 FHEA CC1(C)OB(c2ccc(Cl)c(NC(=O)N3CCCCC3)c2)OC1(C)C 405152005 SIWBJRRRZPSFFI-UHFFFAOYSA-N 364.682 3.657 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(C)c1 4529925 MRRJGUWLVUNQAR-LJQANCHMSA-N 369.461 3.781 30 50 FHEA C[C@H](Oc1cccc(Cl)c1)C(=O)O/N=C(\N)c1ccc(Cl)cc1 4978567 JEAQWLPBCGTUJU-JTQLQIEISA-N 353.205 3.624 30 50 FHEA N#CC1(C#N)[C@H](c2ccc(Cl)cc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 245327388 PIBUADMXOIBKEU-STEAMIEHSA-N 366.808 3.849 30 50 FHEA Cc1nc(-c2noc(-c3ncoc3-c3ccc(C#N)cc3)n2)ncc1Cl 1875359479 FKYNCPAKEZIRMA-UHFFFAOYSA-N 364.752 3.682 30 50 FHEA CCC[C@]1(COC)CCCN1C(=O)c1cccc(C#N)c1Br 331332026 OZKYZBSKJBZUSM-QGZVFWFLSA-N 365.271 3.742 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)n1 626940 NWZWLKWHCPYGHL-IBGZPJMESA-N 354.450 3.557 30 50 FHEA O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 43443262 ZWBAMYVPMDSJGQ-UHFFFAOYSA-N 364.057 3.810 30 50 FHEA biogenic,in-vitro Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)Cc2cccc(C#N)c2)c1 132522706 OTSHSMFXEXKBNO-HXUWFJFHSA-N 354.475 3.842 30 50 FHEA C[C@H](/C(O)=N/CC1CCCCC1)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 328701475 NIJPGHRKQNJNEH-ATZDWAIDSA-N 356.514 3.966 30 50 FHEA N#Cc1ccc(Cl)c(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)c1 376104479 WMXKTISCARVABO-MRXNPFEDSA-N 353.853 3.858 30 50 FHEA CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 823533 YOBNLLNNINWVDH-IBGZPJMESA-N 369.461 3.862 30 50 FHEA Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/n2cnnc2)c1O 1212604 ZHIPTYNZUSNEPV-BHGWPJFGSA-N 371.400 3.580 30 50 FHEA N#Cc1ccc(OC2CCN(c3nc4c(cc3C#N)CCCC4)CC2)cc1 329136017 QVFLMTRESYKRKV-UHFFFAOYSA-N 358.445 3.752 30 50 FHEA C=C[C@H](C)ONC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 952893888 OJGSQNOJVPGUIB-AWEZNQCLSA-N 372.444 3.611 30 50 FHEA Cc1csc([C@@H]2CN(c3ccc(C#N)cc3Br)CCO2)n1 170590988 AWJILMHBRWDUEU-AWEZNQCLSA-N 364.268 3.664 30 50 FHEA COc1ccccc1/C=C/C=N\N1CCN(c2ccccc2OC)CC1 4482750 IOEFSUWPUYWYBZ-KIMCNIAYSA-N 351.450 3.525 30 50 FHEA N#CCCC[C@@H](NC(=O)NCCc1cc(C2CC2)on1)c1ccccc1 2325791739 CJVSCLMJCFCTFX-GOSISDBHSA-N 352.438 3.829 30 50 FHEA N#CC1(/N=C(/O)CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)CCC1 329422375 FOOVZOIXAUMXOF-UHFFFAOYSA-N 359.857 3.637 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccco1 240902765 IVFRUNMVGVCYJG-PXNSSMCTSA-N 353.418 3.665 30 50 FHEA COc1cccc(/C=N/n2c(SC)nnc2-c2ccccc2)c1OC 1209634 IWGNZSHYQVXZRH-XDHOZWIPSA-N 354.435 3.566 30 50 FHEA CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1F)C(C#N)C#N 1187569 TZPOYSKAFIWLLS-RBUKOAKNSA-N 367.355 3.556 30 50 FHEA CC(C)(C)OC(=O)n1cc(I)c2cc(C#N)ccc21 2563783 GADLXNFRAAUWAD-UHFFFAOYSA-N 368.174 3.901 30 50 FHEA CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc([N+](=O)[O-])cc1 8464889 DYASVYHYVIOPKN-SFHVURJKSA-N 360.369 3.752 30 50 FHEA COc1ccc(O/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 15987931 SGCJSLDHDNJMOJ-QZQOTICOSA-N 367.426 3.910 30 50 FHEA Cc1c(CN2CCCC[C@H]2c2ccc(CN(C)C)cc2)cc(C#N)n1C 72479764 FHLBLBQSFOVSSN-QFIPXVFZSA-N 350.510 3.994 30 50 FHEA C#CCCC1(CCC(=O)N[C@H]2c3ccccc3CC[C@H]2N2CCCC2)N=N1 2325886388 VFLIXMWTABSBBI-CTNGQTDRSA-N 364.493 3.610 30 50 FHEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OC)c2O)c1 1273411 ZTEUMSCMYFIWCG-YBFXNURJSA-N 370.434 3.603 30 50 FHEA C=C(C)COc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 7499502 YVNZXJNFBISSQC-UHFFFAOYSA-N 366.461 3.613 30 50 FHEA C#CCN(CC=C)C(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1 12708697 IYCCLMBVEYHRIQ-UHFFFAOYSA-N 358.825 3.785 30 50 FHEA C=CCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@@H]1CCCO1 15072853 FDPKZMWEDPBCRZ-QFIPXVFZSA-N 370.537 3.791 30 50 FHEA Cc1nc(N/C(=N/C(=O)c2ccccc2)Nc2ccccc2)nc(O)c1C 18208858 UARTVMQNEPFXLB-UHFFFAOYSA-N 361.405 3.519 30 50 FHEA CCCCOc1ccc(/C=N\Nc2nc(CC(=O)OCC)cs2)cc1 31850120 VYGVSWWKFSEALP-UNOMPAQXSA-N 361.467 3.874 30 50 FHEA COc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1CN1CCCC1 71681170 HONWCYLUPKZBNN-UHFFFAOYSA-N 373.460 3.802 30 50 FHEA COc1ccc(O/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)cc1 100495020 SGCJSLDHDNJMOJ-MRCUWXFGSA-N 367.426 3.910 30 50 FHEA CC1CCN(C[C@H](O)CSc2nc(-c3ccccc3)ccc2C#N)CC1 1875258974 YVSAEKADLCNAET-IBGZPJMESA-N 367.518 3.805 30 50 FHEA CC(C)(C)c1ccc(OCCOc2ccccc2/C=N/n2cnnc2)cc1 2961518 GAZPRIHBMINNAA-ZVHZXABRSA-N 364.449 3.916 30 50 FHEA C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccccc1 18068186 RDFFTXVOAZTDIE-IYBDPMFKSA-N 370.522 3.728 30 50 FHEA C=CCOc1ccc(CN[C@H](C)c2cn3ncsc3n2)cc1CC=C 55119292 HKDNIJXHXKXMMB-CQSZACIVSA-N 354.479 3.935 30 50 FHEA CC(=O)Nc1ccc(-c2cc(-c3ccc(O)cc3C)nc(N)c2C#N)cc1 71388668 CSGUMPZSWKHJTL-UHFFFAOYSA-N 358.401 3.842 30 50 FHEA Cc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 170621864 KDVRSNBPLYCLLW-UHFFFAOYSA-N 353.491 3.878 30 50 FHEA Cc1ccncc1N=C(O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328643561 RKNHKNSVAZGOPW-GJZGRUSLSA-N 362.474 3.541 30 50 FHEA C[C@@H]1CCCC[C@@H]1OCC/N=C(/O)N1CCC(Cc2cccnc2)CC1 329119768 PJGWSQWBMVHFGQ-XLIONFOSSA-N 359.514 3.845 30 50 FHEA Sc1nnc(-c2cccnc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1475338 IBSUWZQNGZANHO-CNHKJKLMSA-N 350.234 3.818 30 50 FHEA CCOc1cccc(/C=N/n2c(-c3cccc(OC)c3)n[nH]c2=S)c1O 2233539 OTADBLUDTDSKSD-YBFXNURJSA-N 370.434 3.603 30 50 FHEA C=CCc1ccc(OCCOCCOc2ccc(C(=O)O)cc2)c(OC)c1 2984290 YXTYDHURBDBCMK-UHFFFAOYSA-N 372.417 3.596 30 50 FHEA CC/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1 19791212 CBPLVKCMVOQJCC-LSDHQDQOSA-N 357.885 3.978 30 50 FHEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1Cc1c(C)nn(CCO)c1C 63856525 BPBPRAVWTVHNAD-IRLDBZIGSA-N 351.494 3.940 30 50 FHEA CC(C)c1ccc(C#N)c(-c2ccc(C(=O)N3CCc4n[nH]cc4C3)cc2)n1 534670119 LCQGLFMYGQHHML-UHFFFAOYSA-N 371.444 3.665 30 50 FHEA C[C@H](NC(=O)[C@]1(C#N)CC12CCOCC2)c1ccc(-c2ccncc2)cc1 1875276011 CAOHKPXWEYDFBE-KSFYIVLOSA-N 361.445 3.636 30 50 FHEA C#CCCC1(CCNC(=O)c2cc3ccc(-c4cnsc4)cc3[nH]2)N=N1 1875368999 VBFGGUXLAIOSIG-UHFFFAOYSA-N 363.446 3.987 30 50 FHEA C=CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccco1 16713125 XKBNQNLRNWATHJ-MHCYFFLUSA-N 353.447 3.651 30 50 FHEA COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(Cl)cc2)S1 18208983 SBCYEOYGZPBVSA-MBTVCVBTSA-N 373.865 3.513 30 50 FHEA Cc1c(C(=O)N2CCCCC2)sc(NC(=O)Cc2ccccc2)c1C#N 844278 VGSVJLSMINFBIE-UHFFFAOYSA-N 367.474 3.736 30 50 FHEA C=CCc1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(OC)c1 4797202 BNCKSVBRHOGUFR-UHFFFAOYSA-N 358.350 3.951 30 50 FHEA COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Br 4990391 IQTKIZVYYZRASL-CXUHLZMHSA-N 350.172 3.812 30 50 FHEA COc1ccc(-c2cs/c(=N\N=C(/C)c3cccc([N+](=O)[O-])c3)[nH]2)cc1 43761307 DCQFDXXHQLXGAL-UDWIEESQSA-N 368.418 3.985 30 50 FHEA COc1ccc(N[C@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)cc1OC 72166135 MLZLGKAZUGBVST-KRWDZBQOSA-N 366.465 3.668 30 50 FHEA CC(C)c1noc([C@H](Nc2snc(Cl)c2C#N)C2CCOCC2)n1 275288256 GMIAPVHRXNJSIF-LLVKDONJSA-N 367.862 3.754 30 50 FHEA C=CCn1nc(C)c(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)c1C 1506425862 DUHXGJGKNPRAKJ-UHFFFAOYSA-N 372.557 3.947 30 50 FHEA C=CCOc1c(Cl)cc(C(=O)NCc2nccn2CC)cc1Cl 55073667 QWMGGPPNJLIJPD-UHFFFAOYSA-N 354.237 3.705 30 50 FHEA C[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 138283803 LFGUOKSONBHVJF-PVLCZGCNSA-N 370.365 3.745 30 50 FHEA CCCCc1c(C)nc(N/N=C/c2c(F)c(F)c(F)c(F)c2F)[nH]c1=O 16512860 WIQIVBLWGHXXDX-GEVRCRHISA-N 374.313 3.562 30 50 FHEA C#CCCC1(CCC(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)N=N1 2325892677 WOCKQRNUSCSQKU-INIZCTEOSA-N 367.497 3.787 30 50 FHEA O=C(O)CC/C(=N\N=C(/CCC(=O)O)c1ccccc1)c1ccccc1 4136130 AXCOIWORIPCYRY-KSTNYAOJSA-N 352.390 3.610 30 50 FHEA Cc1ccc(C[C@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)cc1 5009641 VXUAKXMYULZQAY-MBTVCVBTSA-N 357.866 3.813 30 50 FHEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1)c1ccccc1 5409286 DIKVMMZJRFFMIW-LJQANCHMSA-N 356.381 3.865 30 50 FHEA Sc1nnc(-c2ccncc2)n1/N=C/c1c(Cl)cccc1Cl 5648949 BKXXYQUKLREXKH-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2oc3cc(OC)ccc3c2C)C1 91872997 KCQBBQGTERHSNS-FQEVSTJZSA-N 357.406 3.633 30 50 FHEA C/C(O)=N/C1CCC(N[C@H](c2nc(C(C)C)no2)C2CCOCC2)CC1 328632407 RTBWBZYEQHKHDG-JCYILVPMSA-N 364.490 3.538 30 50 FHEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)cc2)cc1 6819610 AJVWSJMDLJFZDW-MAUKXSAKSA-N 365.404 3.839 30 50 FHEA Cc1cc(C)c(C#N)c(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1 170626464 JXVQZFFZAZAEAA-UHFFFAOYSA-N 358.449 3.739 30 50 FHEA C=CCOc1ccccc1C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 175342848 DZBHYPUJBDYZCB-OAHLLOKOSA-N 363.417 3.716 30 50 FHEA COc1cccc(NC2CCN(CCCC3(C#N)CCOCC3)CC2)c1 225627316 GAHXKMRIEPOBRS-UHFFFAOYSA-N 357.498 3.672 30 50 FHEA C(=NN1CCN(c2ccccn2)CC1)c1cccc(OCc2ccccc2)c1 238950457 YBWSOZFLRHWWGC-UHFFFAOYSA-N 372.472 3.817 30 50 FHEA C[C@@H](/N=C(/O)N1CC=C(C(C)(C)C)CC1)c1cn(-c2ccccc2)nn1 328880246 KNTQSQAHLDLQLX-OAHLLOKOSA-N 353.470 3.921 30 50 FHEA C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 2058741 NACOHXPXLCDGLI-AWEZNQCLSA-N 355.221 3.693 30 50 FHEA CN(C)CCOc1ccccc1-c1cc(-c2ccc(O)cc2)nc(N)c1C#N 67694995 JYYICFZIKQHYRU-UHFFFAOYSA-N 374.444 3.515 30 50 FHEA Cc1ccc(SC2CCCC2)c(/C(O)=N/[C@H]2CCCS(=O)(=O)C2)c1 329412446 CKEREQYPUUIROF-AWEZNQCLSA-N 367.536 3.912 30 50 FHEA Cc1cnc([C@@H](/N=C(/O)N2CCC3(C2)Oc2ccccc2O3)C2CC2)s1 329684982 YIPFGMVVAHTREZ-INIZCTEOSA-N 371.462 3.690 30 50 FHEA CC1(C)OB(c2ccc(NC(=O)Oc3ccccc3)c(F)c2)OC1(C)C 238791273 SGAPTSMRSFLJCU-UHFFFAOYSA-N 357.190 3.736 30 50 FHEA C=CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N\N=C\c1ccco1 1190621 XKBNQNLRNWATHJ-VGCKYNLESA-N 353.447 3.651 30 50 FHEA COc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1OC 16677853 GDHSLDBYBIRKTR-STZFKDTASA-N 359.857 3.513 30 50 FHEA CCCCCCCCCCNC(=O)CCC(=O)N(CCC#N)CCC#N 100684581 RZBNBEXTYRXROR-UHFFFAOYSA-N 362.518 3.679 30 50 FHEA COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CN1CCOCC1 20827196 BVZSXEHECAAMQQ-XMHGGMMESA-N 363.457 3.740 30 50 FHEA C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 4911493 XDGLSSKVLQYWOS-CQSZACIVSA-N 369.417 3.596 30 50 FHEA CN(Cc1nccs1)[C@@H]1CC12CCN(CC#Cc1ccc(F)cc1)CC2 374856599 PAQGGTSZTKKRFN-LJQANCHMSA-N 369.509 3.620 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@@H](c2cnn(C(C)C)c2)CC(=O)O3)C1=O 217644829 GSPMQPVEAKLDAZ-CQSZACIVSA-N 352.390 3.774 30 50 FHEA biogenic Cc1cc(NC(=O)N2CCC[C@@H](C#N)C2)n(Cc2cccc(Cl)c2)n1 299772121 ZNIMFDORCGWVMI-HNNXBMFYSA-N 357.845 3.661 30 50 FHEA Sc1nnc(-c2cccnc2)n1/N=C/c1c(Cl)cccc1Cl 1475337 NIZJUMVYWLNWPJ-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA COc1ccc(/C=N/n2c(-c3ccc(OC)c(OC)c3)n[nH]c2=S)cc1 1475986 HWRDVXJMZPUXGO-YBFXNURJSA-N 370.434 3.516 30 50 FHEA C#CC1CC(NC(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)C1 2325827904 UBTLPIGBOPGTKH-PFWSDMIYSA-N 361.283 3.796 30 50 FHEA N/C(=N\OC(=O)c1ccccc1Cl)c1cccc(Br)c1 4832236 JRJLIOXIROJHBS-UHFFFAOYSA-N 353.603 3.580 30 50 FHEA CC1(C)OB(c2ccccc2C(=O)Nc2ccc(Cl)cc2)OC1(C)C 170004637 BUDINPSRZAWBCK-UHFFFAOYSA-N 357.646 3.892 30 50 FHEA CC(C)c1noc([C@H](/N=C(/O)CCc2cccnc2)C2CCOCC2)n1 328611226 KSZXQSBKUIYXIX-QGZVFWFLSA-N 358.442 3.645 30 50 FHEA COc1ccc(C/N=C(/O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)c(F)c1 328622828 IRZDEWIDYRKASC-FUHWJXTLSA-N 361.417 3.846 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1Cl)CC2 91781343 ARQWXBQIXSZOFP-UHFFFAOYSA-N 361.873 3.763 30 50 FHEA COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(CC(=O)O)cc3)C2)cc1 18122586 MXBLUDAOWUPHQF-MRXNPFEDSA-N 351.402 3.765 30 50 FHEA Cc1cccc(NC(=S)N/N=C/c2cc(Br)ccc2O)c1 671692 DUOBDEAFXOWDLH-RQZCQDPDSA-N 364.268 3.784 30 50 FHEA Cc1cc(C)nc(/N=C(/N=C(\S)Nc2ccccc2)N2CCCCC2)n1 6275816 CSSRPHVEMPFHEN-UHFFFAOYSA-N 368.510 3.965 30 50 FHEA C=CCC[C@H](CN1CCC(C(=O)O)CC1)Oc1ccnc2ccccc12 72480924 LYXGVZMJSOMXBF-QGZVFWFLSA-N 354.450 3.745 30 50 FHEA CCCC(=O)C1=C(Nc2ccc(OC)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O 100319280 DNFKBYCAPZYEPB-SFHVURJKSA-N 373.449 3.519 30 50 FHEA CC(=O)[C@@H]1C[C@H](C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)C1(C)C 158777218 NGHDWQXHDHPJHL-OWCLPIDISA-N 350.418 3.619 30 50 FHEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CC[C@H]([C@H]2CCOC2)C1 328690789 IMPHXMPPPOOXOF-OALUTQOASA-N 365.477 3.885 30 50 FHEA Cc1cc(-c2cccnc2)c(C#N)c(SCC(=O)n2nc(C)cc2C)n1 988714 BYQLGHQQTLPJJY-UHFFFAOYSA-N 363.446 3.570 30 50 FHEA N#Cc1cccc(Nc2nc(-c3ccccc3)cc(N3CCOCC3)n2)c1 242733314 DDHILIALEFAEMY-UHFFFAOYSA-N 357.417 3.595 30 50 FHEA Cc1ccc([C@]23C[C@@H]2CN(c2ccc(Br)c(C#N)n2)C3)cc1 2325867493 XPNWFGOQXUAQGJ-RDTXWAMCSA-N 354.251 3.802 30 50 FHEA C#CCCC1(CCNC(=O)c2cnn(Cc3ccccc3)c2C(C)C)N=N1 2325890974 JSKFHDIRHZOHHP-UHFFFAOYSA-N 363.465 3.750 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](Cc2cccc(C)c2)[C@H]2CCCO2)N=N1 2325893134 XMHUGNYSVMCSTF-RBUKOAKNSA-N 353.466 3.557 30 50 FHEA COc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 4834253 DHKDYUPEDDHGLG-XSFVSMFZSA-N 360.479 3.695 30 50 FHEA COC(=O)[C@@]1(C)[C@H]2[C@H]3CC[C@]4(C)[C@@H]3[C@H]3[C@H]2[C@@H]2[C@H]1[C@@H]1CC[C@]56O[C@@]45[C@]3(C)[C@H]2[C@@H]16 257347068 QOZOZVKTNHNZNM-NFIAVBGPSA-N 366.501 3.517 30 50 FHEA CCOC(=O)c1cccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 1150419 ZBOFMIDXABJJBH-ZHACJKMWSA-N 355.390 3.689 30 50 FHEA N#Cc1c(NC(=O)c2sc3ncccc3c2N)sc2c1CCCC2 10010552 FBUTUUCJQJEAQF-UHFFFAOYSA-N 354.460 3.943 30 50 FHEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccco1 240902764 IVFRUNMVGVCYJG-FXAWDEMLSA-N 353.418 3.665 30 50 FHEA N#Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)c1 82087237 WSRFLMRIQIOYEX-OAQYLSRUSA-N 370.456 3.823 30 50 FHEA COc1ccccc1N1CCN(/N=C\c2ccccc2C(F)(F)F)CC1 4482737 CVSOQZJYBCIMHD-UCQKPKSFSA-N 363.383 3.870 30 50 FHEA COc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1N 841263247 AHXJAJWJUTVPAL-AEFFLSMTSA-N 350.422 3.581 30 50 FHEA COC(=O)c1ccc(/N=C/c2cc(OC)cc(Br)c2O)cc1 100280000 ZQSUILDSWGAJQF-GIJQJNRQSA-N 364.195 3.701 30 50 FHEA C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 1140723 JOHLRDQAOQGMSI-GJZGRUSLSA-N 352.459 3.959 30 50 FHEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 2495211 GGPWXZRABYKDDH-IBGZPJMESA-N 365.458 3.750 30 50 FHEA CC[C@@H](C)N(Cc1ccncc1)C(=O)c1ccc(C#CC(C)(C)O)cc1 55270371 OZALGGXQOCQDTM-QGZVFWFLSA-N 350.462 3.645 30 50 FHEA C=CCN(Cc1ccc(F)cc1)C(=O)c1c[nH]c2c(C)cccc2c1=O 55414473 ZXVDIQSAZPHJKJ-UHFFFAOYSA-N 350.393 3.804 30 50 FHEA N#Cc1cccc(-c2c(-c3ccccc3)ncn2CCSc2cn[nH]n2)c1 67560580 MGCFUDYKQYMAJP-UHFFFAOYSA-N 372.457 3.999 30 50 FHEA COc1ccc(-c2nc(CN3CCC[C@H](C#N)C3)c(C)o2)c(OC)c1C 67946733 MOQMKBFALGQGQL-OAHLLOKOSA-N 355.438 3.711 30 50 FHEA CC1(C)OB(c2cccc(F)c2NC(=O)Oc2ccccc2)OC1(C)C 238791285 YNDWDKBXEHCTBJ-UHFFFAOYSA-N 357.190 3.736 30 50 FHEA CC1(C)OB(c2cccc(NC(=O)Nc3cc(F)ccc3F)c2)OC1(C)C 169745884 LZXNBYRDBMULMN-UHFFFAOYSA-N 374.196 3.908 30 50 FHEA CCO[C@H]1C[C@H](Nc2ccc(Br)cc2C#N)C12CCOCC2 302292710 WVLBXVFFHGQYEU-HOTGVXAUSA-N 365.271 3.707 30 50 FHEA N#Cc1ccc(Nc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1 242760665 DMFIYNGWYWWRRL-UHFFFAOYSA-N 357.417 3.595 30 50 FHEA Fc1ccc(/C=C/C=N/n2c(S)nnc2[C@H]2CCCCO2)cc1F 2325806941 PMWPLSFOYGBUFF-ZMVQOKNUSA-N 350.394 3.634 30 50 FHEA CCOC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 13799317 NUWYGXQMGRSSGI-UNOMPAQXSA-N 364.445 3.753 30 50 FHEA CCN(CC)C(=O)C(=O)c1cn(Cc2ccc(C#N)cc2)c2ccccc12 14136077 OAHCLKNLVOBMFF-UHFFFAOYSA-N 359.429 3.612 30 50 FHEA Cc1[nH]c2c(CN3CCN(c4ccc(C#N)cc4)C(=O)C3)cccc2c1C 82106550 YBQMGVBEFMXRIS-UHFFFAOYSA-N 358.445 3.505 30 50 FHEA C=CCn1c2ccccc2c2nnc(SCCN3CCCCC3)nc21 856931 OCBKJUWCGPTKJH-UHFFFAOYSA-N 353.495 3.744 30 50 FHEA COc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c(OC)c1 16215494 YVNKNGTUTNHGAQ-HYARGMPZSA-N 373.884 3.509 30 50 FHEA C=CCn1cc(/C=N\NS(=O)(=O)c2ccc(C)c(C)c2)c2ccccc21 32577551 ANGUMWUJNXVBNZ-BKUYFWCQSA-N 367.474 3.757 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C2\C[C@]34CCCC[C@@]35C[C@H]2O[C@@H]5C4)c([N+](=O)[O-])c1 216367828 HNFGDJSRIPJISB-VSEWNUEDSA-N 372.381 3.783 30 50 FHEA Cc1cccc(CC(=O)N2C[C@@H](C)[C@](C)(C/N=C(/O)OC(C)(C)C)C2)c1 328593812 MOHYYSCISFUBSP-IIBYNOLFSA-N 360.498 3.751 30 50 FHEA C[C@H](CCCC(C)(C)O)NC(=O)c1cccc(-c2cc(C#N)ccn2)c1 426490616 NOSITOYDRWYLEL-OAHLLOKOSA-N 351.450 3.680 30 50 FHEA COc1nc(C)c(-c2ccc(C(=O)N3CCC[C@H](C#N)C3)cc2)c(C)c1C#N 534631165 QZRDOYQHQSPRQX-MRXNPFEDSA-N 374.444 3.622 30 50 FHEA CCOc1cc(/C=N/n2c(S)nnc2-c2ccccc2Cl)ccc1O 1478749 NJADSZLYGDVNFO-VXLYETTFSA-N 374.853 3.874 30 50 FHEA Cn1nc(C(F)(F)F)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 2743739 KQDSYXGWCLHBKR-UHFFFAOYSA-N 354.357 3.503 30 50 FHEA CC(C)CO/C(O)=N/c1nnc(SCCOc2ccccc2)s1 2846725 QZNIBTATMGAOIY-UHFFFAOYSA-N 353.469 3.927 30 50 FHEA aggregator COc1ccc(-c2cs/c(=N\N=C3\C(O)=Nc4ccccc43)[nH]2)cc1 16739923 VNAFIRMQVZHMFW-UHFFFAOYSA-N 350.403 3.658 30 50 FHEA CC[C@@H](C)N(CC#Cc1ccccc1)C(=O)CCC(=O)NC1CCCC1 55310225 UESOPDOLIOZIAI-GOSISDBHSA-N 354.494 3.504 30 50 FHEA C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O 253621730 PBKZPPIHUVSDNM-GOLQWDRCSA-N 358.478 3.890 30 50 FHEA N#CC1(CCCN2CCC(C(=O)c3ccc(F)cc3)CC2)CCOCC1 281330083 LTJOINSEPFRLDV-UHFFFAOYSA-N 358.457 3.821 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)N=N1 1875368674 JUXVSMNYQYGLKQ-UHFFFAOYSA-N 368.437 3.506 30 50 FHEA COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(C#N)cc3)n2)cc1 169754614 YHWZVVSGSVOHLQ-SFHVURJKSA-N 374.400 3.594 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)N=N1 952880357 DSWADGVAIATJKT-GOSISDBHSA-N 366.509 3.890 30 50 FHEA C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1 4814613 BUCKUYFXILBDNP-GFCCVEGCSA-N 371.491 3.707 30 50 FHEA O=C1N/C(=N\c2ccccc2)S[C@H]1Cc1ccc(Br)cc1 17178115 VZJMHUKHRBRCNH-AWEZNQCLSA-N 361.264 3.911 30 50 FHEA COc1ccc(OC)c(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 19879853 CECNIABCDGGTPI-HYARGMPZSA-N 373.884 3.509 30 50 FHEA CC(C)(O)CCc1ccc2c(c1)CCN(Cc1cc(C#N)cc(C#N)c1)C2 2325867917 JCUAFRHJJQACEO-UHFFFAOYSA-N 359.473 3.692 30 50 FHEA CCOc1ccc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1 4839406 SMAADTHPXFACRX-IDZXHDBHSA-N 353.422 3.729 30 50 FHEA COc1ccc(/C=C/c2nc(C#N)c(NCc3cccnc3)o2)cc1OC 4839639 UUDNRTNHBSNBFF-SOFGYWHQSA-N 362.389 3.741 30 50 FHEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cc(OC)ccc2OC)c1 5932604 FWVRUADXMHSNPU-YBFXNURJSA-N 370.434 3.516 30 50 FHEA Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 6725949 GQRWEEVSTZMFDM-SNVBAGLBSA-N 358.492 3.574 30 50 FHEA CC[C@H](C)N(CC#Cc1ccccc1)C(=O)CCC(=O)NC1CCCC1 55310228 UESOPDOLIOZIAI-SFHVURJKSA-N 354.494 3.504 30 50 FHEA CC(C)[C@H]1CN(c2ccc(C#N)cn2)CCCN1Cc1ccc(F)cc1 71756975 NMMJNXNSJJWUML-HXUWFJFHSA-N 352.457 3.829 30 50 FHEA O=C(O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl 95670512 ANRGSWRBGXZQLY-QWWZWVQMSA-N 363.415 3.982 30 50 FHEA in-vitro CCC/C(Nc1ccc(OC)cc1)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100162992 DOVKOPOVJWJYHP-ODECOBMASA-N 373.449 3.519 30 50 FHEA O=[N+]([O-])c1cccc(C=Nc2ccc(I)cc2)c1 254827212 LKCMREMLEOKTFK-UHFFFAOYSA-N 352.131 3.950 30 50 FHEA CCOc1cc(Br)c(F)cc1N=C(O)CCN1CCCC1=O 328593825 OLXZHDWAMXMMSC-UHFFFAOYSA-N 373.222 3.587 30 50 FHEA Cc1cc(N=C(O)C(=O)Nc2cc(F)cc(F)c2)n(Cc2ccccc2)n1 328596656 MUVKBIZQODUAGK-UHFFFAOYSA-N 370.359 3.745 30 50 FHEA CC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1OC(=O)c1ccco1 1087971 AQHPPFPLISGOHN-UHFFFAOYSA-N 361.394 3.823 30 50 FHEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(CC)cc1 2502881 UWFBHZJDAOVLJC-SFHVURJKSA-N 370.474 3.628 30 50 FHEA N#Cc1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])cc1C#N 4698212 BVNRKNTUUCHRLK-UHFFFAOYSA-N 372.388 3.598 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 19313834 YDTNWHPMAHEXLA-UWJYYQICSA-N 374.440 3.616 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cccc1F 19901601 BJTPAIUOFAXXRP-SFHVURJKSA-N 361.388 3.742 30 50 FHEA CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 254612783 XPJSYVSOPZVTNB-VAHRBOLPSA-N 360.494 3.811 30 50 FHEA COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 4520693 GWDTVFISSNNIPW-JSGCOSHPSA-N 353.443 3.761 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@H]1c1ccc(Cl)cc1 4870813 JEUXUOWDBVHTKH-INIZCTEOSA-N 371.776 3.527 30 50 FHEA CC#CC[C@@H](C)[C@@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@@H]2C[C@H]1O 64857583 HIFJCPQKFCZDDL-FDSXTFMTSA-N 360.494 3.541 30 50 FHEA in-vitro C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C(\N)c1ccccc1 5065671 OQPVTIGUMOYIEY-JTQLQIEISA-N 353.205 3.624 30 50 FHEA C[C@H](/N=C(/O)CC1CCCCC1)C(=O)N1CCC(Cc2ncc[nH]2)CC1 329198399 VPKKLPXHMDCBPE-HNNXBMFYSA-N 360.502 3.506 30 50 FHEA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 95388240 JFEZVCSEFFXGQZ-JOCHJYFZSA-N 373.500 3.900 30 50 FHEA CCCN(Cc1ccccc1Br)C(=O)c1ccc(C#N)n1C 448664086 ICOLZURYWCLSAZ-UHFFFAOYSA-N 360.255 3.712 30 50 FHEA CC[C@H]1CCc2c(sc(NC(=O)CSc3nccn3C)c2C#N)C1 14067123 CIMFGAHZSSGTDU-NSHDSACASA-N 360.508 3.599 30 50 FHEA CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 27517577 HIFJCPQKFCZDDL-RJPBYPGSSA-N 360.494 3.541 30 50 FHEA in-vitro COc1ccc(C2CC(=O)C(=CNc3ccc([N+](=O)[O-])cc3)C(=O)C2)cc1 100424075 UJGJWQKWSRXZPA-UHFFFAOYSA-N 366.373 3.615 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)N=N1 2325892504 PKHANOLYLRKGIS-INIZCTEOSA-N 366.465 3.995 30 50 FHEA N#CCc1ccc(NC(=O)c2ccc(I)cc2)cc1 2874796 WOXYNASAIJSTCT-UHFFFAOYSA-N 362.170 3.610 30 50 FHEA O=c1c2c3c(sc2ncn1/N=C/c1cc(Cl)ccc1O)CCCC3 4152246 CEFHYBIUCGHPFP-DNTJNYDQSA-N 359.838 3.578 30 50 FHEA N#Cc1ccccc1-c1ccc(CN2CCN(c3ncccc3F)CC2)o1 65495657 ATOJBWNSHQAZMP-UHFFFAOYSA-N 362.408 3.675 30 50 FHEA CC(=O)O[C@@H]1C[C@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]21 254438772 FAGOJCSZVVRBFD-NXWUBYMWSA-N 374.477 3.602 30 50 FHEA COC(=O)[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 257347588 LTWLPBOTJIWDPF-UNUXFHLRSA-N 374.477 3.603 30 50 FHEA CC1(C)OB([C@H]2CCN(C(=O)N3CCC[C@@H]3c3ccncc3)C2)OC1(C)C 1875366776 VNVNZQWZMWLTFT-DLBZAZTESA-N 371.290 3.507 30 50 FHEA C[C@H](CNC(=O)N=c1ccn(-c2cccc(F)c2C#N)[nH]1)C1CCCCC1 2325852888 XDOYHTREEQTKIK-CQSZACIVSA-N 369.444 3.643 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(N(C)C3CCN(C)CC3)cc2)N=N1 2325892540 REJDITKMRKEKSE-UHFFFAOYSA-N 367.497 3.511 30 50 FHEA C=CCn1c(NC(=O)c2cccs2)c(C(=O)OCC)sc1=S 623955 HGZJXLOUWGIDHV-UHFFFAOYSA-N 354.478 3.956 30 50 FHEA C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)c(C#N)c2)cc1 1875365404 DFRYWVHGANRSTC-UHFFFAOYSA-N 359.307 3.954 30 50 FHEA N#Cc1ccc(NCC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 126109109 NHYJGWHNVGZBES-UHFFFAOYSA-N 369.852 3.694 30 50 FHEA COc1ccc([C@H]2C[C@@H]2c2nc(C#N)c(NCCCn3ccnc3)o2)cc1 1857798885 FDEONPUTGBGWAY-SJORKVTESA-N 363.421 3.525 30 50 FHEA C=CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C1=S 1129410 NKEVTGXYYSJFOQ-QUCCMNQESA-N 373.481 3.797 30 50 FHEA biogenic C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Cc1ccccc1 7720740 LTBKJYLPSMYPQB-UHFFFAOYSA-N 363.417 3.503 30 50 FHEA C#CCO[S@@](=O)O[C@H]1CCCC[C@H]1Oc1ccc(C(C)(C)C)cc1 9302308 ZYHMJXZULPZUED-YTZAWJCFSA-N 350.480 3.919 30 50 FHEA biogenic,in-vitro N#Cc1c(N)nc2c(c1-c1cc(CN3CCCC3)cs1)N1CCC2CC1 102359404 RDYQMNRQUIQPQD-UHFFFAOYSA-N 365.506 3.557 30 50 FHEA CN(Cc1nccs1)[C@H]1CC12CCN(c1cccc(F)c1C#N)CC2 275466520 AHJCELIYIHJGLL-KRWDZBQOSA-N 356.470 3.645 30 50 FHEA CCn1ccnc1CN(C)C(=O)c1ccc(-c2nc(C)cc(C)c2C#N)cc1 426410406 BRQJABKVYKCSNR-UHFFFAOYSA-N 373.460 3.726 30 50 FHEA C=CCO[C@@H](C)c1nc(-c2ccc(N(C)CC)cc2)nn1CC(C)(C)CO 1875348347 OBAKZNZMIUVIJG-INIZCTEOSA-N 372.513 3.683 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1 846451 ZVPAYKYHGPUOQV-MRXNPFEDSA-N 350.399 3.785 30 50 FHEA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 5646496 HDTQQLALTYIKID-OAQYLSRUSA-N 373.456 3.997 30 50 FHEA COc1ccc(S(=O)(=O)O/N=C2\CCSc3ccc(C)cc32)cc1 5815113 CQLZQMDBENGQAJ-FBMGVBCBSA-N 363.460 3.609 30 50 FHEA CCOC(=O)c1ccc(N/C=C(\C(C)=O)c2ccc(OC)c(OC)c2)cc1 100217742 VDBPMSMNGQYCCR-QGOAFFKASA-N 369.417 3.923 30 50 FHEA CC(C)(C)OC(=O)N1CC[C@]2(C1)[C@@H](B1OC(C)(C)C(C)(C)O1)C2(F)F 1857784328 JDMHCSQIBXORBW-BZNIZROVSA-N 359.222 3.725 30 50 FHEA COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 4914481 CNGDWXXYKYMNOX-YOEHRIQHSA-N 365.404 3.839 30 50 FHEA Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 6698925 XFJHMWAIDNSWDH-UHFFFAOYSA-N 358.492 3.718 30 50 FHEA O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 6819562 AQCIFOFDWHJUTD-WMLDXEAASA-N 351.377 3.536 30 50 FHEA CCOc1ccc(CCNc2nc(C)cc(COC)c2C#N)cc1OCC 19873972 PTTXUFAPNJOFAQ-UHFFFAOYSA-N 369.465 3.860 30 50 FHEA C=CCC1(CC=C)CCCN1C(=O)c1ccc(CSc2ncn[nH]2)o1 55244972 SJOXRKFADCJPBU-UHFFFAOYSA-N 358.467 3.817 30 50 FHEA CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 95388241 JFEZVCSEFFXGQZ-QFIPXVFZSA-N 373.500 3.900 30 50 FHEA CC(C)CCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 169300004 FFRJRVNKSZLOCM-LVCYWYKZSA-N 354.555 3.884 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2O 252695108 VDYLVWGBLQNNAW-AXLGXQGVSA-N 361.482 3.767 30 50 FHEA biogenic N#Cc1cc(O)cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 804412849 FSHINNQFEGXYMM-JOCHJYFZSA-N 372.424 3.640 30 50 FHEA CCOC(=O)c1c(N)sc(/C(C)=N\Nc2ccc([N+](=O)[O-])cc2)c1C 4964967 JGENTHMBZKDVST-ZDLGFXPLSA-N 362.411 3.560 30 50 FHEA Cc1ccc(C)c(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)c1 6767367 VUTJCUHYIRUOAD-INIZCTEOSA-N 372.428 3.599 30 50 FHEA C(=NNc1cc(N2CCCCC2)nc(N2CCCCC2)n1)c1cccs1 252320855 YCMQQLRBCTVJNP-UHFFFAOYSA-N 370.526 3.965 30 50 FHEA COc1ccc(OC)c(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 12560969 CDRUTTYUDIMIMX-HYARGMPZSA-N 373.884 3.509 30 50 FHEA C=CCCC(=O)NCc1nnc(SCc2cccc(C)c2)n1CC=C 14981204 XJHRDWBLPZWZFK-UHFFFAOYSA-N 356.495 3.647 30 50 FHEA Cc1cc(Br)ccc1NC(=O)COc1ccc(C#N)cc1F 134299985 JYADTYFBLKCABJ-UHFFFAOYSA-N 363.186 3.786 30 50 FHEA COc1ccc([C@@H]2C[C@H]2c2nc(C#N)c(NCCCn3ccnc3)o2)cc1 1857798882 FDEONPUTGBGWAY-DLBZAZTESA-N 363.421 3.525 30 50 FHEA N#Cc1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN21 1386618 ZSXQPTYRVJDHED-KRWDZBQOSA-N 355.800 3.866 30 50 FHEA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)cc1 67433318 BEKDYIVQWPVTDG-SFHVURJKSA-N 371.444 3.672 30 50 FHEA OC(=Nc1ccc(OC2CCCC2)nc1)N1CC[C@H](C2CCOCC2)C1 328865091 WIUFFDBWTOCZQC-INIZCTEOSA-N 359.470 3.697 30 50 FHEA Cc1ncc(/C(O)=N/[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c(C)n1 329413308 DSKMAEVJWAWXAR-RTBURBONSA-N 374.435 3.900 30 50 FHEA Cn1c([C@@H]2CCCN2CCCC2(C#N)CCOCC2)nc2ccccc21 375607626 NBSMEKZDHVIPDU-IBGZPJMESA-N 352.482 3.811 30 50 FHEA C=CCn1cc([C@H]2c3nc[nH]c3CCN2Cc2ccc(C)c(F)c2C)cn1 72409755 RVIJNZBHMUXYDJ-NRFANRHFSA-N 365.456 3.696 30 50 FHEA Cc1ccc(-c2ccc(C(=O)N3CCCn4nc(C#N)cc4C3)cc2)cc1 952980664 QSKKFDFVFUNWPQ-UHFFFAOYSA-N 356.429 3.776 30 50 FHEA C#CCCC1(CCC(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)N=N1 952882548 SICSEXWEBMLKOP-UHFFFAOYSA-N 366.509 3.679 30 50 FHEA NC(=S)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1 8830303 XHKYETSPFSDHAH-YBFXNURJSA-N 365.911 3.678 30 50 FHEA aggregator Cc1ccccc1C(=O)Nc1cc(C#N)c2sc3ccccc3n2c1=O 9029261 YHLKVLBIZLWPAC-UHFFFAOYSA-N 359.410 3.947 30 50 FHEA COc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1cccnc1 5559019 XOJYVTFHLPZJOV-CIAFOILYSA-N 361.430 3.673 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F 19300825 ZBSIGKQXMCNKJN-SFHVURJKSA-N 357.425 3.993 30 50 FHEA O=C1C(c2ccccc2)=C(S)S(=O)(=O)C(S)=C1c1ccccc1 101042149 FOIPWSDMZRWBFU-UHFFFAOYSA-N 360.481 3.581 30 50 FHEA N#Cc1c(N)nc2c(c1-c1ccc([C@@H]3CCCCO3)o1)N1CCC2CC1 102180083 ZCJWKBSINCUPPV-AWEZNQCLSA-N 350.422 3.734 30 50 FHEA O=C(N1CCCC1)N1CCC[C@@H](/N=C(/O)c2[nH]c3ccccc3c2Cl)C1 329370915 JWWKTCUMIJRFGZ-CYBMUJFWSA-N 374.872 3.806 30 50 FHEA C#CCCC1(CC(=O)N2CCN(c3cccc4sccc34)CC2)N=N1 2325900206 OYFUXUYQWNFSFN-UHFFFAOYSA-N 352.463 3.516 30 50 FHEA C=CCn1c(-c2cnc3onc(C)c3c2)nnc1N1CCC[C@H](CC)C1 240278309 DQJSFDRXHOJRSV-AWEZNQCLSA-N 352.442 3.602 30 50 FHEA CC(C)(/C(O)=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc2c(c1)OCO2 328896225 BXHGJRYIXBOMGH-QGTPRVQTSA-N 357.450 3.997 30 50 FHEA Cc1ccccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1cccc(C#N)c1 888103745 XBICXCNDAWOPLS-SEJPIABJSA-N 359.473 3.792 30 50 FHEA Cc1nccn1CC[C@@H]1CCCCN1Cc1ccc(C#CC(C)(C)O)s1 952860366 NKNBCPRYNSSWBH-SFHVURJKSA-N 371.550 3.820 30 50 FHEA COc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1Cn1cccn1 6490719 WVJQXSWDKXDSPK-UTCJRWHESA-N 362.385 3.565 30 50 FHEA N#C[C@H](c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1 16052772 RCYPVQCPYKNSTG-OAHLLOKOSA-N 372.457 3.791 30 50 FHEA in-vivo Cc1ccc(C#N)c(N2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)n1 91536796 ARKYDFZRMQXNCO-UHFFFAOYSA-N 374.488 3.671 30 50 FHEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C 225495970 CSODFZYEAZQUPE-KBXCAEBGSA-N 359.857 3.545 30 50 FHEA N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1Cl 252517386 HKAQTRGGWQWXFU-ZMSDIMECSA-N 355.781 3.599 30 50 FHEA Cc1ccccc1OCCOc1ccc(Cl)cc1/C=N/n1cnnc1 2959080 LDRJHZGUGKNYMU-SSDVNMTOSA-N 356.813 3.580 30 50 FHEA Cc1ccc(C2=NNC(=O)[C@H](c3cn(CCC#N)c4ccccc34)C2)cc1 5027850 ROJHCILPOWFCJG-SFHVURJKSA-N 356.429 3.871 30 50 FHEA COc1ccc2c(C)nc(/N=C3\N=C(O)C[C@@H](c4ccccc4)N3)nc2c1 8770846 CCSPKYYHJNVAHB-INIZCTEOSA-N 361.405 3.625 30 50 FHEA C=C(C)COc1cccc(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)c1 20450015 QWALPDZFPJBEFG-INIZCTEOSA-N 370.474 3.779 30 50 FHEA CCOc1ccc(NC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1C#N 299770249 QIWKDQCJCNDLRP-UHFFFAOYSA-N 365.437 3.592 30 50 FHEA CC[C@@H](C)N(CC#Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 63848942 YBGLBNSGBQJUNZ-GOSISDBHSA-N 355.503 3.742 30 50 FHEA Cn1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C#N 72169683 KJIQNZQGTRFOSV-UHFFFAOYSA-N 370.500 3.804 30 50 FHEA Fc1ccc(NC(=S)N/N=C/c2ccccc2Br)cc1 2506405 AGUHNOILNMOQIZ-RQZCQDPDSA-N 352.232 3.909 30 50 FHEA N#Cc1ccnc(N2CCc3c(ncn3CCc3ccccc3)C2)c1Cl 225653165 OEJHVSIOFSXBON-UHFFFAOYSA-N 363.852 3.609 30 50 FHEA CC(C)(C#N)CCS(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 253424336 DTBJPUUIELHCLR-UHFFFAOYSA-N 370.434 3.571 30 50 FHEA Cc1ccc(/N=C2\S[C@@H](CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1 25558498 HMTMTHUUFQSRFI-JVMRMLDLSA-N 354.431 3.914 30 50 FHEA Cn1c([C@H]2CCCN2CCCC2(C#N)CCOCC2)nc2ccccc21 375607628 NBSMEKZDHVIPDU-LJQANCHMSA-N 352.482 3.811 30 50 FHEA Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 136120768 KADXIEVUTMPVRW-LJQANCHMSA-N 362.820 3.923 30 50 FHEA C#CCOCc1nc([C@@H](C)Oc2ccc(Br)cc2Cl)no1 1875317435 ZBGFKHVERVAOFR-SECBINFHSA-N 371.618 3.775 30 50 FHEA CCCCCCC[C@@]1(C)NC(=O)N(/N=C/c2ccc3c[nH]nc3c2)C1=O 1875253436 MZKCPKMSHHLYOY-MRUVXERFSA-N 355.442 3.568 30 50 FHEA C=CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O 667723 GBZDWZQSOQOAJD-UHFFFAOYSA-N 364.854 3.544 30 50 FHEA Cc1cccc(N2CCc3nc(N)c(C#N)c(-c4cccnc4)c3C2)c1C 71759013 KMPYTAUERHIBQG-UHFFFAOYSA-N 355.445 3.777 30 50 FHEA Cc1[nH]c2ccccc2c1/C=N/NS(=O)(=O)c1ccc(CC(C)C)cc1 6825059 LMCALIIBEKAISJ-FYJGNVAPSA-N 369.490 3.987 30 50 FHEA COc1ccc(-c2cc(CNc3nc(C)c(C(C)=O)cc3C#N)on2)cc1 20385985 MQLBXJTXRZBYJA-UHFFFAOYSA-N 362.389 3.740 30 50 FHEA CSc1cccc(CN2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)c1 82109610 PNPUPEWDFLXTDW-HNNXBMFYSA-N 351.475 3.517 30 50 FHEA N#Cc1c(SCc2ccccc2)nc(N2CCOCC2)c2c1CCCC2 18115524 RWYJNOYEDNHQKP-UHFFFAOYSA-N 365.502 3.961 30 50 FHEA aggregator CCCCCCCc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 100813245 SHNMWMQDTKOPMB-UHFFFAOYSA-N 362.499 3.681 30 50 FHEA CCCCCCCCCCCCOCCOCCOCCOCCO 8214594 WPMWEFXCIYCJSA-UHFFFAOYSA-N 362.551 3.966 30 50 FHEA biogenic,in-man C=CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 12435579 FZMLYUWUURIXDZ-GOSISDBHSA-N 365.433 3.770 30 50 FHEA C#CCCC1(CCC(=O)Nc2cc([C@H](O)c3ccccn3)ccc2C)N=N1 2325892498 PBRABTCVSQBCKA-FQEVSTJZSA-N 362.433 3.766 30 50 FHEA Cc1ccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)cc1 1168889 UCCWIMVNJQKZNI-ZMOGYAJESA-N 359.433 3.811 30 50 FHEA Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 8740945 NVSMULMEAAKZFT-LJQANCHMSA-N 374.396 3.762 30 50 FHEA N#Cc1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCC[C@@H](N)C2)c(Cl)c1 72317946 RLKRLNQEXBPQGQ-OZOXKJRCSA-N 367.880 3.680 30 50 FHEA C=C[C@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 72481821 UHCUTSMBIWACHX-OAQYLSRUSA-N 351.402 3.945 30 50 FHEA C[C@@H]1Oc2ccc(Br)cc2N(Cc2ccc(C#N)cc2)C1=O 215941478 WQHNDHWZVNWJQQ-NSHDSACASA-N 357.207 3.635 30 50 FHEA in-vitro C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1cnc(-c2ccccc2)[nH]1 2325859743 JCYHATPDAZGBMW-GOSISDBHSA-N 371.488 3.655 30 50 FHEA CN(CCC#N)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2996465 DXKHHQRCMCPRTR-UHFFFAOYSA-N 353.266 3.508 30 50 FHEA C=C(C)CN(C)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 12593686 NIUZJWQTYBZRIH-UHFFFAOYSA-N 357.435 3.820 30 50 FHEA O=C1N/C(=N/c2ccc(Cl)cc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] 13382036 PXXCPVPYRLIKIV-CQSZACIVSA-N 361.810 3.710 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 19314474 KBXZHDKWLJGXJY-SFHVURJKSA-N 357.425 3.993 30 50 FHEA CN1/C(=C\C(=O)c2cccc([N+](=O)[O-])c2)Sc2cc3c(cc21)OCO3 100299036 YWJXZRCNJCILLU-REZTVBANSA-N 356.359 3.590 30 50 FHEA COc1ccc(C#N)cc1CN(Cc1ccc(F)cc1)C1CCOCC1 225736212 JVZGKIKKBQOSBE-UHFFFAOYSA-N 354.425 3.887 30 50 FHEA O=C(N1CCCC1)N1CCC[C@H](/N=C(/O)[C@@H]2CCCc3ccccc32)C1 329386778 PXTJCORLBZVBMR-PKOBYXMFSA-N 355.482 3.743 30 50 FHEA CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc(C#N)ccc2F)CC1 369236254 MTWBTBMYXOSLED-OAQYLSRUSA-N 357.473 3.700 30 50 FHEA CO[C@@H]1CCCN(C(=O)c2ccc(-c3nc(C(C)C)ccc3C#N)cc2)C1 584897656 SLOOZLYDDALJBM-LJQANCHMSA-N 363.461 3.995 30 50 FHEA N#Cc1c(-c2c[nH]nc2-c2ccccc2)cc(-c2cccc(O)c2)nc1N 67695151 IZKKKLWXWDFPAC-UHFFFAOYSA-N 353.385 3.965 30 50 FHEA CCCC(NCCc1c(C)[nH]c2ccc(OC)cc12)=C1C(=O)CCCC1=O 100140273 GEUCHUZDXIGXOK-UHFFFAOYSA-N 368.477 3.993 30 50 FHEA COc1ccc2[nH]cc(CC/N=C(/S)NCCc3ccccc3)c2c1 13520092 ASWHNECUYSRBIM-UHFFFAOYSA-N 353.491 3.837 30 50 FHEA CCc1onc(C)c1/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1 328655047 YABCYICJIXCAFF-STQMWFEESA-N 351.447 3.524 30 50 FHEA C=CCN(CC#Cc1ccccc1)C(=O)Cc1csc(SCC)n1 55414077 SUODGLUGXJKSSH-UHFFFAOYSA-N 356.516 3.864 30 50 FHEA C=CCSC1=N/C(=C\c2ccc(OC)c(OC)c2OC)C(=O)S1 3000956 UJFNSDOFLTYQEH-LUAWRHEFSA-N 351.449 3.602 30 50 FHEA CCO[C@@H]1C[C@@H](Nc2ccc(Br)cc2C#N)C12CCOCC2 302292712 WVLBXVFFHGQYEU-HZPDHXFCSA-N 365.271 3.707 30 50 FHEA CCc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(C#N)c1CC 302371684 GPQVQTWHSCBJAX-GOSISDBHSA-N 374.847 3.843 30 50 FHEA C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2526802 YUPPKUMKKSBZRL-LJQANCHMSA-N 351.402 3.945 30 50 FHEA in-vitro N#Cc1ccc(-n2nc(-c3ccccc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 1100055 HUGGYSDDNQPSTQ-UHFFFAOYSA-N 368.352 3.833 30 50 FHEA O=C(/N=C1\Nc2cccc3cccc1c23)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1782943 XZVSNYKVHFXABN-UHFFFAOYSA-N 362.301 3.669 30 50 FHEA biogenic N/C(=N\OC(=O)c1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 5013661 SPXAXOXOQREILU-UHFFFAOYSA-N 361.357 3.739 30 50 FHEA C=CCn1cc(CN(C)[C@@H]2CCCN(CCCc3ccccc3)C2)c(C)n1 20327721 FXVURVPTSZDFHB-HSZRJFAPSA-N 366.553 3.907 30 50 FHEA C#Cc1ccc(CN[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cc1 20453224 RDDCKIJCZLIPGU-SFHVURJKSA-N 359.395 3.840 30 50 FHEA C=C(C)CN(C)Cc1cnc(S(=O)(=O)CCCC(C)C)n1CCCC 55385302 SLWPGEZWJZTZGY-UHFFFAOYSA-N 369.575 3.901 30 50 FHEA N#C[C@H](c1ccccc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(CN)c2)CC1 1875287554 OSOYTZVEGIOVJP-YTFSRNRJSA-N 373.500 3.795 30 50 FHEA C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 2093916 JVYGLSXMWQMVFI-OAHLLOKOSA-N 354.475 3.863 30 50 FHEA C[C@H]1CCC[C@@](C#N)(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C1 126206066 BAJIGTLSQNJEEY-OYHNWAKOSA-N 361.445 3.886 30 50 FHEA COC(=O)/C=C1\CC[C@@H]2[C@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257358071 RMDJMPHXGCYQJX-AVQFWDQBSA-N 374.452 3.745 30 50 FHEA C/C(=N\OCC(=O)N1c2ccccc2CC[C@H]1C)c1sc(C)nc1C 222085840 FTOYICDYBGKWCM-VSQRLNRTSA-N 357.479 3.868 30 50 FHEA C#CCCC1(CCC(=O)Nc2nc(C(C)(C)C)c(C(=O)OC)s2)N=N1 2325892576 SEOJDJMRPPQHCM-UHFFFAOYSA-N 362.455 3.521 30 50 FHEA CN1CCC(n2ccc(=N/C(O)=N/[C@@H](c3ccccc3)C(C)(C)C)[nH]2)CC1 330218465 ORXYIUUFINKXJZ-IBGZPJMESA-N 369.513 3.685 30 50 FHEA Cc1n[nH]c(C)c1-c1cc(-c2c[nH]nc2-c2ccccc2)c(C#N)c(N)n1 71759614 YTWPUCHIISYSRS-UHFFFAOYSA-N 355.405 3.600 30 50 FHEA Cc1cccc(C)c1OCCn1cc(/C=N/n2cnnc2)c2ccccc21 2977964 OZDHOULSUWTHFQ-WYMPLXKRSA-N 359.433 3.811 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(C)c2)cc1OC 1454719 GREIDOWEUUJXBC-YBFXNURJSA-N 354.435 3.816 30 50 FHEA C#Cc1ccc(CNC(=O)c2c[nH]c3ccc(Br)cc23)c(F)c1 2325872253 OSYPJXZRNYHXGD-UHFFFAOYSA-N 371.209 3.981 30 50 FHEA O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(C(=O)O)cc1 2908451 MNQYLWQWAPUXHF-ZROIWOOFSA-N 358.806 3.930 30 50 FHEA CC(C)(C)OC(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 170008664 KFBVAWBHPJEIJX-UHFFFAOYSA-N 353.655 3.986 30 50 FHEA CCOc1ccc(C(=O)c2sc3nc(N)c(C#N)c(CC)c3c2N)cc1 19867576 YUDWIDODWSXINW-UHFFFAOYSA-N 366.446 3.524 30 50 FHEA Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ncc(Br)cn1 4595567 USLBNUZIKJCFBJ-IJUHEHPCSA-N 362.014 3.698 30 50 FHEA Cc1cc(=O)c(/C(O)=N/CCN2CCC3(CCCCC3)CC2)cn1C1CC1 329343285 QAKODOOKMBMNQM-UHFFFAOYSA-N 371.525 3.843 30 50 FHEA N#Cc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)[C@H]2C=CC=C[C@@H]2C4=O)cc1 219035119 UGFUGVPLBBHUQI-GJZGRUSLSA-N 351.365 3.839 30 50 FHEA C[C@@H](CCCC(C)(C)O)NC(=O)c1cccc(-c2cc(C#N)ccn2)c1 426490614 NOSITOYDRWYLEL-HNNXBMFYSA-N 351.450 3.680 30 50 FHEA C=CCN(Cc1ccsc1)C(=O)c1cc(-c2ccccc2OC)[nH]n1 952961089 JCMBPSLLBSRIAV-UHFFFAOYSA-N 353.447 3.975 30 50 FHEA CCOC(=O)CC(=O)CSc1nc(-c2ccc(F)cc2)c(C)cc1C#N 2118142 CXXKOTNENCPOQD-UHFFFAOYSA-N 372.421 3.682 30 50 FHEA Cc1ccc(OCC(=O)O/N=C(\N)Cc2cccc3ccccc23)cc1C 4602222 XLPUVMNKXCTPDB-UHFFFAOYSA-N 362.429 3.894 30 50 FHEA C=CCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]c1=S 5487492 VSWGXVBHKDNHEM-MRVPVSSYSA-N 357.266 3.924 30 50 FHEA Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(Cc2ccccc2)CC1 19893370 FOORCIAZMIWALX-JJIBRWJFSA-N 373.504 3.641 30 50 FHEA in-vitro COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1Cl 218207404 CYLMULIHIBZPLB-AWEZNQCLSA-N 370.788 3.878 30 50 FHEA C=CCc1c(C(=O)OC)ccc(Br)c1OCc1cc(C)on1 225542918 NJVCOWVKJNSEFY-UHFFFAOYSA-N 366.211 3.840 30 50 FHEA CN(C(=O)c1ncc(C#N)cc1Cl)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 329818578 GFOHHINRUXCZAB-WBVHZDCISA-N 373.815 3.738 30 50 FHEA CC/N=C1\S/C(=C\c2cn(C(C)=O)nc2-c2ccccc2)C(=O)N1CC 12402011 FHVOWLZADYKQMF-CMLHKUKGSA-N 368.462 3.522 30 50 FHEA C=CCN(CC#Cc1ccccc1)C(=O)c1ccc([C@@H]2CCCN2)s1 55384423 KUAFMEFVQVKNIO-SFHVURJKSA-N 350.487 3.853 30 50 FHEA CC1(C)OB(c2cc(Br)ccc2Br)OC1(C)C 169747158 YAZONGAJMOABEV-UHFFFAOYSA-N 361.870 3.511 30 50 FHEA in-vitro O=C(CC1=C(c2ccccc2)CCC1=O)N[C@@H]1COC2(CCCCC2)C1 426424397 SIVSTZRQMQBELM-KRWDZBQOSA-N 353.462 3.801 30 50 FHEA Cc1ccc([C@]23C[C@H]2CN(c2cc(Br)cnc2C#N)C3)cc1 2325867008 HPQLNIPBAPLARV-KBXCAEBGSA-N 354.251 3.802 30 50 FHEA COc1c2c(cc3c1[C@H](CC(=NO)c1ccc(C)cc1)N(C)CC3)OCO2 252679462 MVDDOMAAIMLAQN-KRWDZBQOSA-N 368.433 3.530 30 50 FHEA biogenic C#CCCC1(CCC(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)N=N1 952880047 ITGJMKAKIFYRBJ-QGZVFWFLSA-N 356.445 3.575 30 50 FHEA C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(OCC#N)cc1 1875363339 SCRZKKISAGRAKK-SNVBAGLBSA-N 350.205 3.782 30 50 FHEA COc1cccc([C@@H](C)N(C)C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 1506420946 CFUTXRTYTFFWNV-MRXNPFEDSA-N 351.446 3.651 30 50 FHEA Cc1cccc(N/C(N)=N\c2nc(C(F)(F)F)cc(C(F)(F)F)n2)c1 15961975 RCKWARDDWANAQH-UHFFFAOYSA-N 363.265 3.881 30 50 FHEA Cc1ccc(S(=O)(=O)/N=C(/Nc2cccc(O)c2)c2ccccc2)cc1 4859651 JIBSUPQPIXCLBS-UHFFFAOYSA-N 366.442 3.948 30 50 FHEA COC(=O)c1sc(NC(=O)COc2ccc(C(C)C)cc2)c(C#N)c1C 1156468 GRQBMJSQJFJFFR-UHFFFAOYSA-N 372.446 3.856 30 50 FHEA CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 100494429 MAAUCDGBNAAPNZ-SFHVURJKSA-N 360.454 3.837 30 50 FHEA N#Cc1ccncc1C(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 456152234 VSWQMEOZBKYTHM-UHFFFAOYSA-N 357.816 3.794 30 50 FHEA N#Cc1nc(-c2cccc3ccccc23)oc1SCCN1CCOCC1 252493967 NHSGSBBPRAATTF-UHFFFAOYSA-N 365.458 3.791 30 50 FHEA CC1(C)OB(c2cccc(NC(=O)OCc3ccccc3)c2F)OC1(C)C 169955876 UHCMAXKZBAJKSQ-UHFFFAOYSA-N 371.217 3.874 30 50 FHEA CCN(CC)c1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1 946050 TVRAXDDYILJZRM-PTGBLXJZSA-N 366.509 3.698 30 50 FHEA O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Sc2ccccc21 4619068 QAKKSAVLFFBTDK-LDADJPATSA-N 368.414 3.761 30 50 FHEA C=CCOc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccccc1 2901899 PFCHBZNWDKJWMF-RCCKNPSSSA-N 366.442 3.717 30 50 FHEA C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(OCCCC)cc1 2910924 SBTZFYRYGQSDTF-XDJHFCHBSA-N 369.417 3.959 30 50 FHEA Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)Cc2cccc(C#N)c2)c1 132522514 OTSHSMFXEXKBNO-FQEVSTJZSA-N 354.475 3.842 30 50 FHEA CC1(C)OB(c2cccc(NCc3ccc([N+](=O)[O-])cc3)c2)OC1(C)C 196050840 VSVDLNFFBOLXEN-UHFFFAOYSA-N 354.215 3.506 30 50 FHEA Cc1ccc(C/N=C(/O)N2CCC[C@H](CC(C)C)C2)cc1S(C)(=O)=O 331300045 UPHJFUSVGJURJY-QGZVFWFLSA-N 366.527 3.571 30 50 FHEA CC(C)c1noc(C2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1 1529101931 REUQVVOKHNHRBC-UHFFFAOYSA-N 351.454 3.722 30 50 FHEA COc1ccc(Cl)c(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)c1F 1565507534 HGDVIEZTLSJKLR-RNCFNFMXSA-N 372.831 3.695 30 50 FHEA Cc1ccc2cc(C3(O)CCN(Cc4cccc(C#N)c4)CC3)ccc2n1 67869183 MKTZGKOCIAGLQW-UHFFFAOYSA-N 357.457 3.899 30 50 FHEA CCOc1ccc(CC(=O)C2=C(N3CCCC3)CCCC2=O)cc1OCC 1425882 BFUGHTCDORQPRS-UHFFFAOYSA-N 371.477 3.699 30 50 FHEA Cc1ccc(/C=N/N=c2/[nH]c(-c3ccc4c(c3)OCCO4)cs2)cc1 17040798 RRXKUPRKJIDBGE-RGVLZGJSSA-N 351.431 3.758 30 50 FHEA Cc1ccc(N2CCC[C@@H](/N=C(/O)C3C4CC5CC(C4)CC3C5)C2)nn1 329638977 YYDRDQAAAAKRFX-ORPJZTTNSA-N 354.498 3.783 30 50 FHEA COc1cc(-c2cc(-c3ccsc3)c(C#N)c(N)n2)cc(OC)c1OC 67833369 KNGOOYNBQHNCNA-UHFFFAOYSA-N 367.430 3.957 30 50 FHEA CCCCNc1cc(OCC)c(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170003432 ODUQGAGLJJUGSM-UHFFFAOYSA-N 364.251 3.505 30 50 FHEA CC(C)n1ncc2c1C[C@H](/N=C(/O)c1cccc3c1OCC3(C)C)CC2 329892141 IUUDIXAMDNLPQS-OAHLLOKOSA-N 353.466 3.996 30 50 FHEA C#CCCC1(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C3(CC3)C2)N=N1 2325892838 JHKHSQIFERCVHE-IBGZPJMESA-N 364.493 3.656 30 50 FHEA Cc1nc(N/N=C2\C(=O)Nc3ccccc32)c2c3c(sc2n1)CCCC3 4952713 JHWZEUGDXDYIQV-UHFFFAOYSA-N 363.446 3.647 30 50 FHEA CC1(C)OB(c2cccc(NC(=O)Nc3cccc(F)c3)c2)OC1(C)C 169746652 BZCPINMTXBDIEP-UHFFFAOYSA-N 356.206 3.769 30 50 FHEA in-vitro CC(C)[Si](c1ncc(B2OC(C)(C)C(C)(C)O2)o1)(C(C)C)C(C)C 197986142 QHQHHUIEVWSWDJ-UHFFFAOYSA-N 351.372 3.860 30 50 FHEA C[C@]12CC[C@@H]3[C@]4(CCC5=CC(=O)CC[C@]53CO4)[C@H]1CC[C@H]2C(=O)C1N=N1 254815070 BEZPFZAQJHAMRG-FZEOFVTHSA-N 354.450 3.628 30 50 FHEA Cc1ccc2ncc(C#N)c(N3CCC4(CC3)C[C@@H]4c3nnc(C)o3)c2c1 366110661 JHTSDALKXRXISZ-QGZVFWFLSA-N 359.433 3.880 30 50 FHEA N#Cc1c(C2CC2)[nH][nH]c1=NCc1cc2ccccc2nc1N1CCCCC1 1875334899 JNWVTBCFGNJPOJ-UHFFFAOYSA-N 372.476 3.731 30 50 FHEA COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c(OC)c1 1506547 ZWUTYKOBVGBFIV-UHFFFAOYSA-N 354.402 3.832 30 50 FHEA C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2560900 YUPPKUMKKSBZRL-IBGZPJMESA-N 351.402 3.945 30 50 FHEA CC(C)N(CCC#N)S(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 2024090 MOOQZYPLLRWFKY-UHFFFAOYSA-N 373.434 3.575 30 50 FHEA COc1c(F)cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)cc1Cl 71404262 JVDDJXCWBCZEHS-UHFFFAOYSA-N 371.803 3.713 30 50 FHEA C=CCn1cc(CN2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)s2)cn1 67803908 XDLVFKAWWZWADP-KRWDZBQOSA-N 359.886 3.655 30 50 FHEA Cn1ncc(-c2cc(-c3c[nH]c4ccccc34)nc(N)c2C#N)c1C1CC1 71751183 HQCMLMWGPSFUSX-UHFFFAOYSA-N 354.417 3.962 30 50 FHEA COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 4915961 MTQALQBWUDTCSZ-HIFRSBDPSA-N 353.443 3.761 30 50 FHEA C[C@H]1CN(Cc2csc(N=C(O)[C@@H]3Cc4ccccc43)n2)C[C@@H](C)O1 329446859 CRBOCHLSBWPPMU-IIYDPXPESA-N 357.479 3.680 30 50 FHEA Cc1nc([C@H]2CCCN(C(=O)c3cccc(-c4ccccc4C#N)c3)C2)no1 426596498 MZGLPOQYMMKCKC-IBGZPJMESA-N 372.428 3.937 30 50 FHEA Sc1nnc(-c2ccccc2)n1N=Cc1cccc(Br)c1 252429350 GESPWZBVNAYMDX-UHFFFAOYSA-N 359.252 3.879 30 50 FHEA C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccc(C)cc4)cnn23)CC1 5245957 NDZFBNPGONUOTJ-UHFFFAOYSA-N 361.493 3.711 30 50 FHEA CC(C)(C)OC(=O)N1CC[C@@]2(C1)[C@H](B1OC(C)(C)C(C)(C)O1)C2(F)F 1857784329 JDMHCSQIBXORBW-MEDUHNTESA-N 359.222 3.725 30 50 FHEA COc1ccc2c(ccc[n+]2CC(=O)c2cccc(Br)c2)c1 4543129 CRRKSWQYJKFWOO-UHFFFAOYSA-N 357.227 3.781 30 50 FHEA CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@@H]2C[C@H]1O 27099721 HIFJCPQKFCZDDL-ADWWHASJSA-N 360.494 3.541 30 50 FHEA in-vitro Cc1cc(=O)n(C)cc1N=C(O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328602180 AROZEWVUQWUABY-XMSQKQJNSA-N 365.477 3.584 30 50 FHEA O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(S)nnc2-c2ccccc2)c1 252429518 YWGVZRGVOKBRJO-UHFFFAOYSA-N 359.798 3.678 30 50 FHEA CC(=O)O[C@@H]1CC[C@@]2(/C=N/O)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 261490498 JIIVOVFNPCJNDJ-GYHIWSQZSA-N 359.466 3.890 30 50 FHEA O=C(O)c1ccccc1/C=N/n1c(-c2cccc(Cl)c2)n[nH]c1=S 6059531 YQRRDRYSJXJXSB-GIJQJNRQSA-N 358.810 3.841 30 50 FHEA Cc1nnccc1N=C(O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 329259352 CPYYFAMQMGSLLR-DIKOGFFKSA-N 368.481 3.580 30 50 FHEA C=CCOc1cccc(CN(CC)C(=O)Cn2nc(C(F)F)cc2C)c1 55166598 YBLOEIUMCPEQJK-UHFFFAOYSA-N 363.408 3.743 30 50 FHEA C=C(C)COc1cccc(C(=O)NCc2ccc(C(F)(F)F)nc2)c1 55042684 BLHQQFMDWOCAOU-UHFFFAOYSA-N 350.340 3.985 30 50 FHEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(O)cc1)c1ccccc1 18125829 LEAQTHKJEHODOF-IBGZPJMESA-N 372.380 3.570 30 50 FHEA O=C1C=C(c2cccs2)C[C@@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1 1022894 WQFXMBBDKDFVAK-YOEHRIQHSA-N 366.402 3.629 30 50 FHEA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)cc1 67433316 BEKDYIVQWPVTDG-GOSISDBHSA-N 371.444 3.672 30 50 FHEA N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCCC2 102346016 GOBRYYYVULIYOP-NQERCMRGSA-N 370.474 3.740 30 50 FHEA C=CCc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1O 238950665 ZGJGIMVEDNFZET-UHFFFAOYSA-N 369.896 3.926 30 50 FHEA COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(C#N)cc3)n2)cc1 263619350 YHWZVVSGSVOHLQ-GOSISDBHSA-N 374.400 3.594 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)N=N1 952880358 DSWADGVAIATJKT-SFHVURJKSA-N 366.509 3.890 30 50 FHEA CC1=C(C(=O)N2CCCCC2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 815969 CZRVGCRQSCQRJX-SFHVURJKSA-N 356.491 3.729 30 50 FHEA CCOc1cc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)ccc1O 1478871 DARMOOFSZFZRDG-YBFXNURJSA-N 354.435 3.903 30 50 FHEA CCOC(=O)c1c(N)sc(/C(C)=N\Nc2cccc([N+](=O)[O-])c2)c1C 4964965 AXMFVWOSNRSQAO-ZDLGFXPLSA-N 362.411 3.560 30 50 FHEA COc1cc2c(cc1C)/C(=N/OC(=O)c1ccc(OC)c(OC)c1)CCC2 5101728 VMALKRJZXNUYQN-OQKWZONESA-N 369.417 3.918 30 50 FHEA CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(C)cc2C)c1C#N 19337983 WOABMGZAIIESDU-UHFFFAOYSA-N 350.447 3.561 30 50 FHEA C=CCn1ncc(-c2nc3c(cnn3Cc3cccc(Cl)c3)[nH]2)c1C 20449160 QQTXNQZTLVOZAV-UHFFFAOYSA-N 352.829 3.819 30 50 FHEA C=CCN(CC#Cc1ccccc1)C(=O)CC(=O)Nc1cccc(C)c1C 55358011 YSBQLHUFLSQXSG-UHFFFAOYSA-N 360.457 3.698 30 50 FHEA CC1(C)OB(c2ccc(Oc3ccc([N+](=O)[O-])cc3F)cc2)OC1(C)C 170006553 RTVGWKVWPDHTMV-UHFFFAOYSA-N 359.162 3.825 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccco1 170615237 QDCJHQLVMWQXPC-PXNSSMCTSA-N 370.401 3.616 30 50 FHEA N#C[C@H]1CC[C@@H](COC(=O)c2c(Br)noc2C2CC2)CC1 2325779435 COYSUCXRDKRHEZ-AOOOYVTPSA-N 353.216 3.801 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1C 7720962 MQRRINXMFKXQII-UHFFFAOYSA-N 363.417 3.639 30 50 FHEA N#CC1(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1 67856246 OXRGJSIFTOJHEH-UHFFFAOYSA-N 361.323 3.813 30 50 FHEA CN(C)c1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1Br 1186990 VOGFUODWZJLLCO-GXDHUFHOSA-N 371.234 3.860 30 50 FHEA C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OCC)cc2Cl)C1=O 979995 NHFUIBASJJNQPV-OQLLNIDSSA-N 365.838 3.807 30 50 FHEA CN(/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1 17729323 WYRANDZRMSANKW-MRCUWXFGSA-N 366.442 3.664 30 50 FHEA Cc1ccc(N2CCN(/N=C/c3ccccc3Br)CC2)cc1 946056 KIQNNUSCZRBCCL-XSFVSMFZSA-N 358.283 3.914 30 50 FHEA COc1ccc(C(=O)OCC#CCSc2nc3ccccc3o2)cc1 2184299 ABAQWMMNRNUZHB-UHFFFAOYSA-N 353.399 3.789 30 50 FHEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1cccnc1 5649616 MXZDWHJOWZQQHS-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA N#Cc1cc(F)cc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c1 77339896 DUFPTMRVNYXULL-CQSZACIVSA-N 356.372 3.768 30 50 FHEA CC(=O)[C@@H]1[C@H](c2ccccc2)c2c(C)[nH]c(=S)c(C#N)c2C[C@@]1(C)O 170622423 DUHGJUMRGHOAPY-QWFCFKBJSA-N 352.459 3.568 30 50 FHEA N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 252679787 RFSCISGKYQADMJ-IHRRRGAJSA-N 373.334 3.551 30 50 FHEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OP(=O)(O)O 252694650 NWJXKHVJFGAOMY-VWQYPGANSA-N 368.410 3.996 30 50 FHEA biogenic Cc1cc(-c2cccc(C(=O)NCCc3c(C)n[nH]c3C)c2)nc(C)c1C#N 584903474 ZZOTZHGIYXTLEO-UHFFFAOYSA-N 373.460 3.550 30 50 FHEA C#CCCC1(CCC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)N=N1 952882250 SUTHQUULAWDYTR-AZUAARDMSA-N 353.466 3.968 30 50 FHEA COc1cccc(-c2ccc(C#N)c(SCC(=O)NC3CCCC3)n2)c1 662167 ZCKMTILEFLSHNH-UHFFFAOYSA-N 367.474 3.780 30 50 FHEA Cn1c(SCc2ccccc2C#N)nnc1-c1ccc([N+](=O)[O-])cc1 1137420 UXWVNQGDHVRBDO-UHFFFAOYSA-N 351.391 3.554 30 50 FHEA C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 4857314 UAHLQBDVTZIETF-PIGZYNQJSA-N 354.431 3.666 30 50 FHEA O=C1C[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914750 SICBPJSPPOLFLU-CZUORRHYSA-N 353.368 3.969 30 50 FHEA COc1ccc(OC)c(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)c1 6055668 PJAQJKFQDAIHKP-YBFXNURJSA-N 354.435 3.816 30 50 FHEA C=C(C)COc1ccccc1NC(=O)N1CC[C@H](n2nc(C)cc2C)C1 96164588 NKELPWRRKIYBRS-KRWDZBQOSA-N 354.454 3.934 30 50 FHEA N#Cc1c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)sc2c1CCCCCC2 102233403 SNDXLDVKDKFFHO-SYWGBEHUSA-N 352.459 3.590 30 50 FHEA Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@H](C)CC#N)[C@@H]2c2cccs2)cc1 229777328 WERIOUVQEWNHMY-SIXWZSSISA-N 367.474 3.569 30 50 FHEA COc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 1144711 VUZRFPRMNHAOSH-UHFFFAOYSA-N 360.417 3.548 30 50 FHEA C=CCc1cc(Cl)ccc1OCCOCCN1C[C@H](C)O[C@@H](C)C1 20167761 YGSMKKXXHUIXGQ-HOTGVXAUSA-N 353.890 3.573 30 50 FHEA Cc1ccc2[nH]c(=O)c(CN3CCC(C#N)(c4ccccc4)CC3)cc2c1 67654195 HXJZSKMFAHYOIX-UHFFFAOYSA-N 357.457 3.894 30 50 FHEA C=CCN1CC2(CCC1=O)CCN(c1cc(C(F)(F)F)cc(C)n1)CC2 91849340 YWQDJLVXNKYFNH-UHFFFAOYSA-N 367.415 3.804 30 50 FHEA N/C(COc1ccc(Cl)cc1Cl)=N/OCc1cccnc1Cl 170626394 ARNRBTSBPKSPDZ-UHFFFAOYSA-N 360.628 3.910 30 50 FHEA C=CCn1c(-c2cnc3onc(C)c3c2)nnc1N1CCC[C@@H](CC)C1 240278310 DQJSFDRXHOJRSV-CQSZACIVSA-N 352.442 3.602 30 50 FHEA Cc1nc2c(s1)[C@@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)CCC2 777319138 ZSCYABHVCYHQSC-MSOLQXFVSA-N 367.474 3.913 30 50 FHEA C#CCCC1(CCC(=O)N[C@H](C)c2nc(-c3cccnc3)cs2)N=N1 2325886050 DSCRNVYCCRKLIU-CYBMUJFWSA-N 353.451 3.738 30 50 FHEA Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(C#N)cc1 1123079 NQHYPSXDRKRVFE-UHFFFAOYSA-N 359.223 3.955 30 50 FHEA C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 1146526 XDUROADKDSGTDV-LDADJPATSA-N 366.442 3.772 30 50 FHEA CCOc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 20191326 YXGSQLPCNRQGEV-PXLXIMEGSA-N 357.885 3.890 30 50 FHEA CC(C)(C)[C@@H]1CCN(/C(O)=N/[C@H](Cc2ccccc2)C(F)(F)F)C[C@H]1O 330817710 NEQKBNFXDPKTGB-BZUAXINKSA-N 372.431 3.803 30 50 FHEA Clc1ccc(Br)c(CN=C2NC[C@@H](c3ccccc3)N2)c1 1875356873 XHXPBQPOOPHBQJ-HNNXBMFYSA-N 364.674 3.893 30 50 FHEA N#Cc1c(NC(=O)c2cc(-c3ccc(O)cc3)on2)sc2c1CCC2 3907806 OOZLOPXCDZODTJ-UHFFFAOYSA-N 351.387 3.721 30 50 FHEA Cc1cc(Br)ccc1NC(=O)CSc1ncccc1C#N 7052127 VXCNKUDWLNWOOE-UHFFFAOYSA-N 362.252 3.755 30 50 FHEA C=CCn1cc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c(C)n1 55073054 LFMSOARBQWDJNP-UHFFFAOYSA-N 363.465 3.807 30 50 FHEA C[C@H]1CC[C@](C#N)(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C1 101172615 QMTTTYCGJUXRGP-AOMKIAJQSA-N 359.429 3.928 30 50 FHEA O=C1/C(=N\Nc2ccccc2[N+](=O)[O-])c2ccccc2N1Cc1ccccc1 100474521 ZKNPPHMCWNLQRZ-ATJXCDBQSA-N 372.384 3.958 30 50 FHEA O=C(O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 4072822 QVLBZDANHVVABB-FNFFHQHPSA-N 373.321 3.967 30 50 FHEA COc1ccc(-c2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c2C#N)cc1F 96179370 KOHDRQSAYUCSOS-UHFFFAOYSA-N 370.771 3.853 30 50 FHEA COc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1Br 1187560 ZCSKHCPRIAPFEQ-UHFFFAOYSA-N 352.228 3.712 30 50 FHEA Cc1ccc(N2C(=O)[C@](O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C 2385248 JDRBLAJQKDGRAV-SFHVURJKSA-N 367.367 3.587 30 50 FHEA N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 286418808 QVFJCMOTKKDXLZ-WDEREUQCSA-N 352.278 3.574 30 50 FHEA Cc1c([C@@H](C)NCc2ccc(C#CCCO)cc2)cnn1-c1ccccc1 12002723 MQLHSFLCSVRXSM-GOSISDBHSA-N 359.473 3.765 30 50 FHEA C#Cc1cccc(C(=O)NCc2nc(-c3ccccc3NC(C)=O)oc2C)c1 11975954 NJQINLWDALXPSD-UHFFFAOYSA-N 373.412 3.520 30 50 FHEA O=C1C=C(c2ccccc2)C[C@@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])n1 1056520 YEFOINVAAQTTLT-PKOBYXMFSA-N 360.373 3.568 30 50 FHEA O=C(C[n+]1ccc(-c2cccs2)nc1)Nc1cccc(C(F)(F)F)c1 2529448 DZHQTMFTEOPMQV-UHFFFAOYSA-O 364.372 3.755 30 50 FHEA COc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 648319 QPSQPHLXEVIHPZ-UHFFFAOYSA-N 352.419 3.590 30 50 FHEA COCc1cc(CN2CCC(C#N)(c3ccccc3)CC2)ccc1OC 215730649 UVUAHAPBJIBWKG-UHFFFAOYSA-N 350.462 3.899 30 50 FHEA C=CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 5047526 BIVKSKXREFGSBE-UHFFFAOYSA-N 358.394 3.911 30 50 FHEA N#Cc1c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)sc2c1CCCC2 1167460 WSHHPMASUIPYIX-CQSZACIVSA-N 358.463 3.703 30 50 FHEA CC(C)(C)c1ccc(OCCOc2ccc(/C=N/n3cnnc3)cc2)cc1 2959136 KLLHNFNTMPZBDE-ZVHZXABRSA-N 364.449 3.916 30 50 FHEA C=CCN(Cc1ccc(F)cc1)C(=O)c1ccc(OC)c(OC)c1OC 55414717 VZBFTMKRBVPCAT-UHFFFAOYSA-N 359.397 3.680 30 50 FHEA N#C[C@]1(NC(=O)c2ccc3c(c2)CCCCC3=O)CCc2ccccc2C1 329830022 SIQMXWDZWQRFCW-QHCPKHFHSA-N 358.441 3.777 30 50 FHEA CSCC[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 95929096 XCABZTKGNAMBJK-AWEZNQCLSA-N 355.459 3.846 30 50 FHEA C[C@]12C=C/C(=N\OCC(=O)O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 257372881 RLZYCYTZQGHRMD-IFOVHEJRSA-N 373.493 3.933 30 50 FHEA COc1cccc(C(=O)/C=C(\C)Nc2ccc(N3CCOCC3)cc2)c1 4998798 IKDKUAPLBUGVSS-JQIJEIRASA-N 352.434 3.730 30 50 FHEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2)cc1 13124628 QACQTXVGMYXTPG-IIBYNOLFSA-N 372.428 3.702 30 50 FHEA COc1cc(OC)c(OC)cc1/C=N/n1c(-c2ccccc2)n[nH]c1=S 1473757 VMZMTPLUJWCQGH-YBFXNURJSA-N 370.434 3.516 30 50 FHEA COc1ccc2cc([C@H]3CN(C(=O)c4cccc(C#N)c4)CCO3)ccc2c1 71764020 YCDMJXVDHOQJQG-JOCHJYFZSA-N 372.424 3.934 30 50 FHEA C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 71770798 RDDQRQGYXUOWAV-PIJLBNDASA-N 356.462 3.773 30 50 FHEA CCCc1csc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)n1 180640222 HFOKMYIPHNFWHJ-UHFFFAOYSA-N 369.494 3.711 30 50 FHEA C=C[C@@H]1CCCCN1C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 225618756 LJCMAJIUDLRKNO-MRXNPFEDSA-N 372.490 3.937 30 50 FHEA C#CCCC1(CCC(=O)Nc2cccc([C@H](O)CC(F)(F)F)c2)N=N1 1875368557 ABWGGCPZUBHOCJ-CQSZACIVSA-N 353.344 3.967 30 50 FHEA O=C(C[n+]1ccc(-c2cccs2)nc1)c1ccc(Br)cc1 6226341 RWGHGGJZSVXPIM-UHFFFAOYSA-N 360.256 3.743 30 50 FHEA C=CCOc1c(Cl)cc(C(=O)N(C)Cc2nc(C)c[nH]2)cc1Cl 55072482 WAJCCSITJQOGTC-UHFFFAOYSA-N 354.237 3.862 30 50 FHEA Cc1cc(C)cc(OCCCN(C)C(=O)c2ccc(C#CC(C)(C)O)o2)c1 55118963 YLJXTGOHKLQJDK-UHFFFAOYSA-N 369.461 3.560 30 50 FHEA CSc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 1427977 BGACWAYXQVWCTC-HNNXBMFYSA-N 358.507 3.844 30 50 FHEA COC(C)(C)CCC[C@@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1 248291452 UBZDIWVELVGWPC-RBBKRZOGSA-N 358.526 3.958 30 50 FHEA biogenic CC[C@@H](NC(=O)c1ccc(-c2cc(C)c(C#N)c(C)n2)cc1)c1ccnn1C 584898848 DYOQEJJZMSZYFN-LJQANCHMSA-N 373.460 3.852 30 50 FHEA CC1(C)OB(c2cccc(NC(=O)c3cccc(Cl)c3)c2)OC1(C)C 405042868 ZCDRRLYXLPQPBW-UHFFFAOYSA-N 357.646 3.892 30 50 FHEA N#Cc1c(NC(=S)NC(=O)CCc2ccccc2)sc2c1CCCC2 1126142 QGOZOLQKMWUWAT-UHFFFAOYSA-N 369.515 3.944 30 50 FHEA CCOc1cccc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)c1O 6080540 WINPXFLBGOPDED-YBFXNURJSA-N 370.434 3.603 30 50 FHEA N#Cc1c(O)nc(SCc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 18222081 UULFOUCELPTWQU-UHFFFAOYSA-N 364.386 3.921 30 50 FHEA CCCCCCCCCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 98001701 YZKOGCZZYPDGLI-UHFFFAOYSA-N 372.465 3.956 30 50 FHEA CN(C(=O)c1ncc(C#N)cc1Cl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 329818577 GFOHHINRUXCZAB-RDJZCZTQSA-N 373.815 3.738 30 50 FHEA C#CCCC1(CCC(=O)N2CC(OCc3cccc4ccccc34)C2)N=N1 2325886073 JJPPCGWNCRHHAW-UHFFFAOYSA-N 361.445 3.923 30 50 FHEA C=CCN1C(=O)COc2ccc(NC(=O)c3oc4ccccc4c3C)cc21 32593379 PXMYVJMZMBMDRY-UHFFFAOYSA-N 362.385 3.905 30 50 FHEA CC[C@H](/N=C(/O)[C@H]1C[C@@]12CCOc1ccc(OC)cc12)c1noc(C)n1 328605271 NAUMZAWTGWEWCC-ZRGWGRIASA-N 357.410 3.535 30 50 FHEA CC1CC(C#N)(C(=O)N2CC(C)(C)[C@H]2c2nccn2Cc2ccccc2)C1 952890975 PUZCXQRIDGFATP-ASNBIDDJSA-N 362.477 3.781 30 50 FHEA Cc1ccc([C@@]23C[C@@H]2CN(c2ncc(Br)cc2C#N)C3)cc1 2325867859 HNRMUMVFPHXTDU-QAPCUYQASA-N 354.251 3.802 30 50 FHEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccccc1 7720941 SCFPYEQVEYYDMP-UHFFFAOYSA-N 363.417 3.639 30 50 FHEA CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccc3)ccc2C#N)CC1 22115455 FAVLDSAQVNLZMJ-UHFFFAOYSA-N 364.449 3.677 30 50 FHEA O/C(=N\c1nc(-c2ccco2)n[nH]1)N1CC=C(c2ccc(F)cc2)CC1 48436135 RRHXUBKTERWBJK-UHFFFAOYSA-N 353.357 3.539 30 50 FHEA Oc1ccc(-c2cs/c(=N\CC(F)(F)F)n2N=C2CCCC2)c(O)c1 221320246 BMMZXEODSIMLNR-HKWRFOASSA-N 371.384 3.869 30 50 FHEA CCOc1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1O 945580 YMCJITJIFZEYKQ-KGENOOAVSA-N 359.857 3.600 30 50 FHEA COc1ccc(C/C(O)=N/C(=N)Nc2nc3ccccc3s2)cc1OC 5094570 PWROHLNFJMLMPG-UHFFFAOYSA-N 370.434 3.859 30 50 FHEA C/C(O)=N/[C@H](CC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1)c1ccc(C)cc1 329740962 VQZNCJJVQKGCBZ-HBFSDRIKSA-N 358.482 3.819 30 50 FHEA O=C1C[C@@H](c2ccncc2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1 218118108 YZSXEKSYBOEXQV-PMFHANACSA-N 370.364 3.534 30 50 FHEA biogenic C[C@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 170645025 HUONGEBEEDDCOV-IFXJQAMLSA-N 353.397 3.541 30 50 FHEA COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccc(Cl)cc2)S1 5047707 SBCYEOYGZPBVSA-YODDIOPGSA-N 373.865 3.513 30 50 FHEA C/C(=N/Nc1ccc(C)cc1)[C@@]1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-] 13154354 KKLBOCLKUIMOKW-HZQOKBKYSA-N 356.426 3.575 30 50 FHEA CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 823462 KCHVOCHYVGRHAA-IBGZPJMESA-N 369.461 3.862 30 50 FHEA O/C(=N/CC1CC(c2ccccc2)C1)N1CCN(c2cccc(O)c2)CC1 328703209 OCUGZAWVCSMBFN-UHFFFAOYSA-N 365.477 3.622 30 50 FHEA Brc1ccc(/C=N/N2CCN(c3ccccc3)CC2)s1 1214227 JVYSQNTYDVXITI-SFQUDFHCSA-N 350.285 3.667 30 50 FHEA CC(=O)c1cccc(C(F)(F)F)c1OCC(=O)NC1(C#N)CCCCC1 239722334 CCEBKOGXOUFWAL-UHFFFAOYSA-N 368.355 3.629 30 50 FHEA N#Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Cl)cc1F 263619608 ZNWLWZQDLJXIKT-UHFFFAOYSA-N 364.760 3.871 30 50 FHEA CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(C#CC(C)(C)O)o1 952985885 BMTFAYJURMZAOX-UHFFFAOYSA-N 365.351 3.693 30 50 FHEA C[C@@H](c1ccc2ccccc2c1)N(C)Cc1cc(O)n2ncc(C#N)c2n1 2325873440 HLIAGALWROKPTD-AWEZNQCLSA-N 357.417 3.653 30 50 FHEA Clc1ccsc1C1=NNC(=NCc2ccc3c(c2)OCO3)SC1 2325879618 AYJGVQYPRYFGJZ-UHFFFAOYSA-N 365.867 3.727 30 50 FHEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 5646518 ZHNDHBRMBMLIPC-OAQYLSRUSA-N 373.456 3.997 30 50 FHEA C/C(=N\Nc1nccnc1Cl)c1ccc(I)cc1 4595734 VEVREJRWGORGHV-CAOOACKPSA-N 372.597 3.571 30 50 FHEA CC1(C)OB(c2ccc(Cl)c(C(=O)NCc3ccccc3)c2)OC1(C)C 170004304 PZLAQXZBWFWKEI-UHFFFAOYSA-N 371.673 3.569 30 50 FHEA COc1ccccc1-c1cc(-c2cc(C(=O)O)cs2)nc(N)c1C#N 71405579 CLAIFSCRPNFPMZ-UHFFFAOYSA-N 351.387 3.638 30 50 FHEA N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H](O)Cc1ccccc1 225819644 HPKCONFDAXZNGK-ZDUSSCGKSA-N 357.335 3.539 30 50 FHEA C#CCCC1(CCNC(=O)c2cc3sccc3n2CC(F)(F)F)N=N1 1875381035 IDKSPCOOOZANQZ-UHFFFAOYSA-N 368.384 3.961 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccncc1 19638402 RUVKUQSYYJCJBD-UWJYYQICSA-N 374.440 3.616 30 50 FHEA CCO[C@H]1C[C@@H](Nc2ccc(Br)cc2C#N)C12CCOCC2 302292707 WVLBXVFFHGQYEU-CVEARBPZSA-N 365.271 3.707 30 50 FHEA C/C(=N\Nc1ncc(Br)cc1C)c1ccc2c(c1)CCNCC2 2325754386 QLEHVWRJGZJLKL-LPYMAVHISA-N 373.298 3.677 30 50 FHEA N#CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 2840928 BFFUGAVLUDUEIJ-SFHVURJKSA-N 374.849 3.512 30 50 FHEA C=CCC[C@@H](CN1CCC(C(=O)O)CC1)Oc1ccnc2ccccc12 72480923 LYXGVZMJSOMXBF-KRWDZBQOSA-N 354.450 3.745 30 50 FHEA Cc1cccc(/N=C2\S[C@H](CC(=O)O)C(=O)N2c2cccc(C)c2)c1 5710765 OQOAASGKEJNYLX-DVSFIDLUSA-N 354.431 3.914 30 50 FHEA CCCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ncnn21 4368716 KEFKBWBUAULCFO-GOSISDBHSA-N 352.438 3.725 30 50 FHEA CC(C)(/C(O)=N/[C@@H]1C[C@@H]1c1c(F)cccc1Cl)S(=O)(=O)C1CC1 328793934 BFGZKFNOCBMQSO-GXFFZTMASA-N 359.850 3.647 30 50 FHEA C=CC(=O)N(C)c1ccc(C(=O)OCC#Cc2cccc(Cl)c2)cc1 1875373524 DNUNNWPRLPBTIU-UHFFFAOYSA-N 353.805 3.697 30 50 FHEA CCc1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)nnn1-c1cccc(Cl)c1 225441354 SUOGDPFPUUESSW-AWEZNQCLSA-N 369.787 3.507 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 635020 IRSSDJFBLPUCMC-GOSISDBHSA-N 355.434 3.559 30 50 FHEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 4590929 YFWZVQMTKBZPCO-LJQANCHMSA-N 364.401 3.836 30 50 FHEA CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccccc2F)C1 72165228 IJJXUJKZPAAZPP-IBGZPJMESA-N 366.440 3.826 30 50 FHEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccc(C=O)cc21 208352550 OSGHSBOTCBLJNR-UHFFFAOYSA-N 371.242 3.536 30 50 FHEA N#Cc1cccc([C@H](NC(=O)Cc2csc(C3CC3)n2)C(F)(F)F)c1 831113599 WTKBTFODWRKKAH-HNNXBMFYSA-N 365.380 3.854 30 50 FHEA N#Cc1ccc(CN2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1 1875387161 RUNOOHDLUBATBN-UHFFFAOYSA-N 359.473 3.750 30 50 FHEA N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2 365619452 MEDLBDKZIHNSLO-AZUAARDMSA-N 374.444 3.875 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)N=N1 952879921 AUWAEHUWUGHCJK-UHFFFAOYSA-N 352.482 3.895 30 50 FHEA O=C(O)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl 95670511 ANRGSWRBGXZQLY-IUYQGCFVSA-N 363.415 3.982 30 50 FHEA in-vitro COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1 19773096 RUAAFVFLSWFFAC-HYARGMPZSA-N 373.884 3.509 30 50 FHEA Cn1ccnc1N1CCC(/N=C(/O)c2ccc(Cl)c3ncccc23)CC1 328668600 FFBJYVZDGYZPMW-UHFFFAOYSA-N 369.856 3.595 30 50 FHEA C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)SC1=S 2994340 IUKVIMXVJLCZAZ-MHWRWJLKSA-N 355.488 3.876 30 50 FHEA CC[C@H](C)N(Cc1ccncc1)C(=O)c1ccc(C#CC(C)(C)O)cc1 55270374 OZALGGXQOCQDTM-KRWDZBQOSA-N 350.462 3.645 30 50 FHEA C[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 137171541 LFGUOKSONBHVJF-IKAAQNAXSA-N 370.365 3.745 30 50 FHEA CN1C(C)(C)CC(n2cc(-c3ccc(C#CCCO)cc3)nn2)CC1(C)C 91818259 PFYXUQAQOOOSPJ-UHFFFAOYSA-N 366.509 3.503 30 50 FHEA Cc1ccc2c(c1)C(=NO)C(=O)[N+]2CCOc1ccc(C(C)(C)C)cc1 343516931 JTLUQNTUWMXPJD-UHFFFAOYSA-N 352.434 3.862 30 50 FHEA Brc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)s1 19850233 XPJACMKDJCDBAU-LDADJPATSA-N 364.312 3.662 30 50 FHEA CC1=C(C(=O)/C=C/c2cc(Cl)c(O)cc2Cl)[C@H](C)N2NN=NC2=N1 806560816 QXZWMXXTONGNNK-RTMURIBGSA-N 366.208 3.501 30 50 FHEA N/C(CSc1ccccn1)=N\Nc1ncc(C(F)(F)F)cc1Cl 4052268 SBJHWWNMKYSGPM-UHFFFAOYSA-N 361.780 3.625 30 50 FHEA CC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1OC(C)C 4839823 LQHYAZQITZXTHN-FQEVSTJZSA-N 350.418 3.828 30 50 FHEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(N(C)C)cc2)c1 5408636 SGGXQPRIHPVFMS-DEDYPNTBSA-N 367.478 3.955 30 50 FHEA C=CCOc1ccc(C(=O)N(Cc2nnc(CC)o2)C(C)C)cc1OCC 55401605 MKWUOOAEINJWMR-UHFFFAOYSA-N 373.453 3.646 30 50 FHEA CC(C)(C)OC(=O)NC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 196868567 MMJKUKSXAGYJAZ-UHFFFAOYSA-N 361.291 3.746 30 50 FHEA CCCOc1cccc(CC/N=C(/O)N2CCCC3(CCOCC3)C2)c1 330270775 UUWSORJAFYQGTE-UHFFFAOYSA-N 360.498 3.825 30 50 FHEA CC(C)c1noc([C@@H](/N=C(/O)c2cccnc2C2CC2)C2CCOCC2)n1 330282552 VLJWZZOMHOJCCS-KRWDZBQOSA-N 370.453 3.938 30 50 FHEA O=C(C[n+]1ccc(-c2ccncc2)cc1)c1ccc(Br)cc1 2565343 FLHWEIVYOJMPSJ-UHFFFAOYSA-N 354.227 3.682 30 50 FHEA CC#CCN(Cc1ccco1)Cc1c[nH]nc1-c1ccc(OC)cc1F 12305480 PNQNAWSLUWCQHQ-UHFFFAOYSA-N 353.397 3.843 30 50 FHEA O=C1/C(=N\Nc2ccc(O)cc2)C(c2ccccc2)=NN1c1ccccc1 12376578 XVXCJDGUTVNNMM-ATJXCDBQSA-N 356.385 3.611 30 50 FHEA CC(C)=C1Oc2c(ccc3c2[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)O3)C1=O 218412333 YLMTZBVMKKQZQA-CQSZACIVSA-N 365.341 3.905 30 50 FHEA Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(C#N)c(Cl)n3)nc2c1 225803663 GCTCFKRAAYOXBB-MRXNPFEDSA-N 365.824 3.769 30 50 FHEA C[C@H](c1cccnc1)N1CCN(c2cccc(-n3cccc3)c2C#N)CC1 2325867659 BLGZYFBWZBUKQC-GOSISDBHSA-N 357.461 3.627 30 50 FHEA N#Cc1ccc(C[C@@H]2CCCN(Cc3cc4c(s3)CCNC4)C2)cc1 2325868856 NIYBDXCDSJMHGC-SFHVURJKSA-N 351.519 3.720 30 50 FHEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1 836109 ZPDBCSBRGPFHKZ-MRXNPFEDSA-N 372.218 3.938 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C/c2ccc(Br)s2)c([N+](=O)[O-])c1 4955853 HCEMYNQHHJVWQE-AWNIVKPZSA-N 371.172 3.773 30 50 FHEA COc1ccccc1N1CCN(/N=C/c2ccc(C(F)(F)F)cc2)CC1 1214620 KEBMJOAQCWWLHG-OEAKJJBVSA-N 363.383 3.870 30 50 FHEA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 14971533 JTMIARIHHMITKI-GOSISDBHSA-N 351.833 3.813 30 50 FHEA O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2ccncc2)c([N+](=O)[O-])c1 16134259 LKNJVUDQSMKNJL-DYTRJAOYSA-N 363.333 3.763 30 50 FHEA CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)cc2)c1C#N 19867710 AAMOYCYJVYEOQP-UHFFFAOYSA-N 356.838 3.598 30 50 FHEA C=CCN(c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(C)(=O)=O 667705 HMJUXZBAZBIJEW-UHFFFAOYSA-N 358.463 3.508 30 50 FHEA CN(C)/C=N/c1c(C(=O)c2ccccc2)sc2nccc(N(C)C)c12 4019025 QWCQBDVIOBSXCW-CIAFOILYSA-N 352.463 3.815 30 50 FHEA O=[N+]([O-])c1cccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)c1 8306581 ORWQAAAADPKHTB-CPNJWEJPSA-N 365.418 3.706 30 50 FHEA C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/c1ccc(C(=O)O)cc1 61963752 ABIJCMVYPICPRH-SGRLSNSRSA-N 366.442 3.745 30 50 FHEA C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1 65394226 NWBRHRNDAMNFCQ-HNNXBMFYSA-N 360.417 3.992 30 50 FHEA CC#CC[C@H](C)[C@H](O)/C=C\[C@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 328577294 HIFJCPQKFCZDDL-WVSISDNYSA-N 360.494 3.541 30 50 FHEA in-vitro O/C(=N/C1CCN(Cc2cccnc2)CC1)c1coc(C2CCCC2)n1 328777839 SZLMLHUADAJQLV-UHFFFAOYSA-N 354.454 3.696 30 50 FHEA COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 4914502 RZLMPRHWZONEBB-CRAIPNDOSA-N 365.404 3.839 30 50 FHEA C#CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc2c(c1)OCO2 4251685 ZGZYPVFINTVHOK-CSKARUKUSA-N 362.410 3.844 30 50 FHEA CCOc1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1O 19849093 BYYITHJVOACMMM-HYARGMPZSA-N 373.884 3.596 30 50 FHEA C=C[C@@H]1CCCCN1C/C(O)=N/C1CCN(C(=O)C2CCCCC2)CC1 330202328 ZDQUQNFSVAKUBF-LJQANCHMSA-N 361.530 3.555 30 50 FHEA CC(=O)Nc1cccc(-c2cc([C@H]3CCOC(C)(C)C3)c(C#N)c(N)n2)c1 71753878 GNTKLMFMSWQYSV-HNNXBMFYSA-N 364.449 3.833 30 50 FHEA CC(C)Oc1ccc(/C=C2/C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1 211022826 DSVUJOCXRAHGPP-LICLKQGHSA-N 352.346 3.727 30 50 FHEA C=CCn1c([C@H]2c3nc[nH]c3CCN2Cc2ccco2)nc2ccccc21 72427962 FOZMAZHKBFVFDE-HXUWFJFHSA-N 359.433 3.686 30 50 FHEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccccn2)Cc2ccco2)cc1 1506421997 YCVMFLGMUGGKAY-UHFFFAOYSA-N 374.440 3.640 30 50 FHEA O=C(/C=C/c1ccco1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 1115621 BXFBPGZEDQHGMW-OTOIZHKDSA-N 373.408 3.687 30 50 FHEA CCOc1cccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)c1O 5960237 NWOQCTWMRMVZKP-VXLYETTFSA-N 374.853 3.874 30 50 FHEA CC#CC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 12442577 RSGPBIQRVMFRND-UHFFFAOYSA-N 356.425 3.763 30 50 FHEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(O)cc1)c1ccccc1 18063095 LEAQTHKJEHODOF-LJQANCHMSA-N 372.380 3.570 30 50 FHEA COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccs1)C2 4520691 GWDTVFISSNNIPW-OCCSQVGLSA-N 353.443 3.761 30 50 FHEA COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 1220228 RIDVNAPBFRZMHM-MBTVCVBTSA-N 373.865 3.513 30 50 FHEA COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2F)C[C@@H]1c1ccccc1 1440874 DKJPKGHUDWMGTE-DNVCBOLYSA-N 357.356 3.806 30 50 FHEA COCc1cc(C)nc(SCC(=O)c2cn(C)c3ccccc23)c1C#N 10007516 MKWHAZIXXSHXCJ-UHFFFAOYSA-N 365.458 3.875 30 50 FHEA CCCSC1=N/C(=C\c2ccc(OC(C)=O)c(OC)c2)C(=O)S1 4906890 CPXMFSMUFTVFDB-WQLSENKSSA-N 351.449 3.734 30 50 FHEA Cc1ccc(/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1 5682445 HMTMTHUUFQSRFI-DVSFIDLUSA-N 354.431 3.914 30 50 FHEA COc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 100625622 ANHPIDGOMGWUKZ-UHFFFAOYSA-N 362.429 3.884 30 50 FHEA O=C1C[C@H](c2ccncc2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1 218118171 YZSXEKSYBOEXQV-LTKMBJGESA-N 370.364 3.534 30 50 FHEA biogenic C=CCc1cc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)ccc1OC 952961344 FUSPUYBKLQRGRQ-HXUWFJFHSA-N 366.461 3.640 30 50 FHEA N#Cc1ccc(CN2CCC[C@]23CCCN(CCc2ccccc2)C3=O)cc1 2356151440 IOIOJEFVFRFKOK-DEOSSOPVSA-N 373.500 3.758 30 50 FHEA Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCCC2 825507 KLYLOHGXRXQKHP-UHFFFAOYSA-N 368.384 3.661 30 50 FHEA C#CCOc1ccc(/C=C2\NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 2852278 LUBRUWPSENSJEH-ATVHPVEESA-N 368.845 3.614 30 50 FHEA O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cc(Cl)ccc1Cl 9332127 WZHOLXVPAMJGMH-NACCWKTGSA-N 368.245 3.751 30 50 FHEA N#Cc1ccc(-n2cccc2-c2c(-c3ccccc3)ncn2CCO)cc1 65452942 GMKPXLNBLMLOGD-UHFFFAOYSA-N 354.413 3.872 30 50 FHEA COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 5445537 OZHCKTMDKVXHJN-INIZCTEOSA-N 357.793 3.557 30 50 FHEA N#Cc1ccc(F)c(CSc2nnc(-c3ccncc3)n2C2CC2)c1 122878080 QDKAWFMSMIPPQH-UHFFFAOYSA-N 351.410 3.978 30 50 FHEA CN(C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C1CCCCC1 332531363 QJNJLNSQFXRRFP-UHFFFAOYSA-N 359.445 3.925 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC)cc2)C[C@H]1c1ccccc1 758163 DDVRWGYUIYXVRS-FPOVZHCZSA-N 365.429 3.927 30 50 FHEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N(C)C[C@@H]3CCCCO3)cc2)n1 426512299 QQUXFHIPGZEOBT-IBGZPJMESA-N 363.461 3.878 30 50 FHEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1S(=O)(=O)N(C)Cc1ccccc1 1506423651 GXIWXMNEWPOVEI-PMACEKPBSA-N 360.523 3.905 30 50 FHEA COc1ccc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)c(OC)c1 5907189 JLTXAYQZCIPNSZ-YBFXNURJSA-N 370.434 3.516 30 50 FHEA COC(=O)c1cc(C#N)ncc1NCCOc1ccc(Cl)c(Cl)c1 2325824855 SZRKKTWSSJMWCV-UHFFFAOYSA-N 366.204 3.538 30 50 FHEA C=C(C)CN(C)Cc1cccc(OC[C@@H](O)CN(C)C2CCCCC2)c1 12056873 HUAHMDURZZEMML-NRFANRHFSA-N 360.542 3.699 30 50 FHEA C=CCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 12343669 VGAXZUNCOYZVIE-YRNVUSSQSA-N 358.257 3.975 30 50 FHEA Cc1ccc(C#N)c(N2CCC[C@@H](C(O)=Nc3ccc4nc[nH]c4c3)C2)n1 329895457 BXOKWEHIVMZQAC-OAHLLOKOSA-N 360.421 3.643 30 50 FHEA C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CB1OC(C)(C)C(C)(C)O1 1772715791 PUMCVEMPABFXIP-QWHCGFSZSA-N 355.284 3.839 30 50 FHEA C/C(=N\OC[C@H]1CCOC1)c1ccc(Oc2ccc(C(=O)O)cc2)cc1 1875261591 LRWKOAOZHNPGRP-HBBMIWKISA-N 355.390 3.954 30 50 FHEA Cc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)C(Cl)=C2Cl)cc1 828903 XRYRPMVIHDWJCQ-YVLHZVERSA-N 364.637 3.519 30 50 FHEA Cc1c(NC2=CC(=O)C[C@H](c3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 5211995 WCEQSDJAWZLMDA-GOSISDBHSA-N 373.456 3.927 30 50 FHEA CC[C@@H]1CC[C@H](/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)O1 328611535 LYAMFBKFZDBARJ-RBSFLKMASA-N 351.447 3.575 30 50 FHEA C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccco1 2195033 YDHQQXCPLWXQKR-UHFFFAOYSA-N 354.435 3.763 30 50 FHEA N#Cc1ccc(Oc2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100357633 SXMURYUIKQGWGU-SLUIBLPYSA-N 356.381 3.662 30 50 FHEA C=CCN(Cc1cccc(OC)c1)C(=O)C[C@H]1C(=O)Nc2cc(C)ccc21 55088865 PGFWKOYLVBBGPR-LJQANCHMSA-N 364.445 3.644 30 50 FHEA CC1(C)OB(c2cc(F)cc([N+](=O)[O-])c2OCc2ccccc2)OC1(C)C 170003752 VPKSNFVXHJHZLC-UHFFFAOYSA-N 373.189 3.612 30 50 FHEA N#Cc1ccc(N2CCC(C(=O)Nc3cccnc3C3CC3)CC2)c(F)c1 1351857406 VVPCUSDDJQQMID-UHFFFAOYSA-N 364.424 3.825 30 50 FHEA COc1ccccc1N1CCN(/N=C/c2ccccc2C(F)(F)F)CC1 946038 CVSOQZJYBCIMHD-OEAKJJBVSA-N 363.383 3.870 30 50 FHEA C#CCCC1(CCC(=O)NCc2cccc(OCc3ccccn3)c2)N=N1 2325892415 MNXOKPNPXGBDSN-UHFFFAOYSA-N 362.433 3.633 30 50 FHEA N#Cc1c(N)nc2c(c1[C@H]1CC=CCC1)CN(C(=O)c1ccccc1)CC2 71745263 QPKVEIMIQLDQHZ-HNNXBMFYSA-N 358.445 3.558 30 50 FHEA COc1ccc2c(c1)c(B1OC(C)(C)C(C)(C)O1)cn2C(=O)OC(C)(C)C 169746306 IRZPWZYCUJFBJB-UHFFFAOYSA-N 373.258 3.732 30 50 FHEA in-vitro CN(C)N1C(=O)C[C@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O 1423014 UQEBPFNIEZGRAK-GFCCVEGCSA-N 353.249 3.793 30 50 FHEA C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S1)C(C)(C)C 5101411 YEIITECHOQWTSS-IKMPRTQCSA-N 374.510 3.642 30 50 FHEA C=CCCC(=O)N1CCC(Oc2cc(CN(C)C(C)C)ccc2OC)CC1 12219021 LBHPILWQNGVBTD-UHFFFAOYSA-N 374.525 3.871 30 50 FHEA C=CCc1cc(OC)c(O[C@H](C)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1 13311349 ULZFTGWWPHYLGI-XCLFUZPHSA-N 374.433 3.647 30 50 FHEA endogenous,in-man COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 19596568 YIAKIRHZUGMMSR-YBFXNURJSA-N 364.445 3.671 30 50 FHEA COc1ccc(C(=O)[C@@H]2CCCN(CC#Cc3ccccc3)C2)cc1OC 55344266 OUYIWMCNHRBWGN-HXUWFJFHSA-N 363.457 3.650 30 50 FHEA OCCC#Cc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccon2)cc1 65526555 VFACJAFYCIBASX-UHFFFAOYSA-N 369.424 3.987 30 50 FHEA CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 100380082 IDXNXDWQRWNZQX-UHFFFAOYSA-N 354.789 3.821 30 50 FHEA C=CCN(Cc1ccccc1C)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 952960859 CQBXVHMKRLMVIX-RTWAWAEBSA-N 368.521 3.938 30 50 FHEA CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(Br)cc1 100005686 REHATYIJSZJCCC-XDJHFCHBSA-N 357.211 3.640 30 50 FHEA O/C(=N/CCOC1CCCCC1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 329246936 RLGMSSBGFQTTNM-QHAWAJNXSA-N 372.509 3.754 30 50 FHEA CN(Cc1nccs1)[C@@H]1CC12CCN(c1cccc(F)c1C#N)CC2 275468911 AHJCELIYIHJGLL-QGZVFWFLSA-N 356.470 3.645 30 50 FHEA CCN(CC)c1ccc(/C=N/NC(=S)Nc2cccc(C)c2)c(O)c1 671795 MMOUCNYLFWCROS-DEDYPNTBSA-N 356.495 3.867 30 50 FHEA C=CCOc1ccc(C(=O)N[C@H](C)c2cn3ccsc3n2)cc1OCC 55308792 NDMHZWYASCKPBC-CYBMUJFWSA-N 371.462 3.850 30 50 FHEA CN(Cc1cc(C#N)ccc1F)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328645713 SILZKTSAVXGCPM-CYBMUJFWSA-N 366.362 3.607 30 50 FHEA COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1/C=N/O 13144016 UNAQNHWTEJDDIL-UDWIEESQSA-N 367.430 3.927 30 50 FHEA C[C@@]12OC(=N)[C@@](C#N)([C@H](c3ccccc3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 139366760 MYHXPTPDSAEKDZ-RJOZEALSSA-N 368.396 3.809 30 50 FHEA N#Cc1nc(-c2ccccc2F)oc1S(=O)(=O)c1ccc(Cl)cc1 334162406 NIEKITOFCZUXDF-UHFFFAOYSA-N 362.769 3.839 30 50 FHEA C#CCO[S@@](=O)O[C@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1 100095714 ZYHMJXZULPZUED-XFAGBWLFSA-N 350.480 3.919 30 50 FHEA biogenic,in-vitro O=C(O)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl 95670509 ANRGSWRBGXZQLY-IMJSIDKUSA-N 363.415 3.982 30 50 FHEA in-vitro C=CCn1c(=O)c(CNCCc2ccc(OC)cc2)cc2cc(C)ccc21 12035807 ZONPXLRSRANBKL-UHFFFAOYSA-N 362.473 3.837 30 50 FHEA C=C(C)C[C@H](C)C(=O)N1CCC(O)(c2cccc(Br)c2)CC1 2325797174 WTAVBYMIQKXJHW-AWEZNQCLSA-N 366.299 3.861 30 50 FHEA C=CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 7495575 ZEFFGBFOAPVTAB-UHFFFAOYSA-N 350.462 3.831 30 50 FHEA N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(F)(c2ccccn2)CC1 289023809 ANIFRQPFZBHUCT-UHFFFAOYSA-N 372.831 3.506 30 50 FHEA COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccccc3Cl)S2)cc1 1248726 LPHNDZLEDLCRMT-MBTVCVBTSA-N 373.865 3.513 30 50 FHEA C=CCc1cc(C)ccc1OCCOCCn1cnc2ccccc2c1=O 3000425 BVQLVZMLQJDEOU-UHFFFAOYSA-N 364.445 3.529 30 50 FHEA CC[C@@H](C)[C@H](/N=C(/O)N1CCCC1)C(=O)N1CC=C(c2ccccc2C)C1 329387035 QRCKTHWUTNIRBL-UZLBHIALSA-N 369.509 3.645 30 50 FHEA CC1=C(C(=O)OC(C)C)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 19639100 YFNUASCVUTVBDU-IBGZPJMESA-N 369.461 3.948 30 50 FHEA C#CCCC1(CCC(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)N=N1 2325892288 HXCFWXDWLXKULW-MRXNPFEDSA-N 363.465 3.933 30 50 FHEA O=S(=O)(c1ccccc1)[C@@H](N=C(Cl)Cl)C(Cl)(Cl)Cl 1056893 LTOKMRNFPSRXSO-SSDOTTSWSA-N 369.484 3.990 30 50 FHEA CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3C#N)n2C)c1 1144647 BNFWEXQDMAKADE-UHFFFAOYSA-N 363.446 3.604 30 50 FHEA N#C[C@@H](C(=O)NCc1cccc(F)c1)C(=O)c1ccc([C@@H]2CC2(F)F)cc1 1875293551 VACRTTNSBASJMJ-SJORKVTESA-N 372.346 3.587 30 50 FHEA Cc1nc2c(s1)[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CCC2 777319140 ZSCYABHVCYHQSC-ROUUACIJSA-N 367.474 3.913 30 50 FHEA Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(Cl)c(Cl)c1 6198500 DESNBABIUQXMHZ-QGMBQPNBSA-N 350.234 3.818 30 50 FHEA CN(c1nc2cccc(C#N)c2n1C)[C@@H]1CCCN(Cc2ccccc2)C1 2325859871 OAMZFRPMJNFXKL-LJQANCHMSA-N 359.477 3.546 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)N=N1 2325892839 JHKHSQIFERCVHE-LJQANCHMSA-N 364.493 3.656 30 50 FHEA C=CCNC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 2838368 GVTUMEVTLMRJQR-UHFFFAOYSA-N 360.866 3.987 30 50 FHEA N#Cc1nccnc1-c1cccc(-c2ccn(C[C@H](O)c3ccccc3)n2)c1 20149388 ZHBVHDRUWGDPNR-NRFANRHFSA-N 367.412 3.612 30 50 FHEA O=[N+]([O-])c1ccccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1 239105312 IFEJIKFCNQJTSJ-UHFFFAOYSA-N 359.798 3.678 30 50 FHEA CC(=O)N1CCCN(c2ccc(F)cc2N=C(O)[C@H]2C[C@H]2C2CC2)CC1 329883312 QWZNJQVGPBBAHS-IRXDYDNUSA-N 359.445 3.518 30 50 FHEA O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1ccccc1[N+](=O)[O-] 6342809 IPRHABXFEMAQJL-UHFFFAOYSA-N 370.388 3.980 30 50 FHEA C=CCOc1c(Cl)cc(CN2[C@H]3CC[C@@H]2C[C@H](O)C3)cc1OCC 102676644 MHHAXQXVYLAITM-ZSHCYNCHSA-N 351.874 3.791 30 50 FHEA COc1ccc(-c2cc(-c3cnn(C(C)C)c3)c(C#N)c(N)n2)cc1OC 67473208 IYSZDXKBQFXIGJ-UHFFFAOYSA-N 363.421 3.664 30 50 FHEA CCC(=O)N[C@@H](C(=O)N1CCC(C#N)(C2CCCC2)CC1)c1ccccc1 1875320708 VSPNIHOCRRDXTQ-HXUWFJFHSA-N 367.493 3.576 30 50 FHEA O=C(O)c1cc(/C=C/C(=O)c2cc(Cl)ccc2O)c2c(c1)COCO2 4025762 UDYZHBFCKOOZJD-HNQUOIGGSA-N 360.749 3.506 30 50 FHEA biogenic C=C(C)CN(CC)C(=O)c1coc(COc2cccc3cccnc23)n1 12093731 SEXPTJSMIWNABO-UHFFFAOYSA-N 351.406 3.840 30 50 FHEA COc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)cc1 12523971 MOIYVGMFBPFAQV-UHFFFAOYSA-N 366.442 3.943 30 50 FHEA C=CCOc1ccc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 4519874 VZNDDOFFJZNSOE-KRWDZBQOSA-N 361.397 3.544 30 50 FHEA N/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 4936891 XZGQGIQFLVUWGO-UHFFFAOYSA-N 353.603 3.580 30 50 FHEA CCCCCCCCCCCCOC(=O)C[n+]1cccc(C(=O)NC)c1 100857796 ZLVOWUAJMYRUTM-UHFFFAOYSA-O 363.522 3.798 30 50 FHEA CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)Nc1ccccc1 170006444 VXCXFZGCNXBQMP-UHFFFAOYSA-N 367.254 3.637 30 50 FHEA CCn1ncc2ccc(N=C(O)N3CCO[C@@H](C4CCCCC4)C3)cc21 329468598 WZIIANWHRLJLAO-LJQANCHMSA-N 356.470 3.883 30 50 FHEA Cc1cc(Nc2cc(C)c(C#N)c(N[C@H](C)CCCC(C)(C)O)n2)n[nH]1 71295348 XHHRGYCOEVNAKV-CYBMUJFWSA-N 356.474 3.778 30 50 FHEA in-vitro CCCOc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1 2226618 VTUKCOHSVZGCHX-OQKWZONESA-N 353.466 3.640 30 50 FHEA COc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c(OC)c1OC 1478055 LMYJIBGEKYFRCA-YBFXNURJSA-N 370.434 3.516 30 50 FHEA C=CCN(CC=C)Cc1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 12205962 GAKLPYHMFGILJV-QFIPXVFZSA-N 372.553 3.865 30 50 FHEA Cc1ccc([C@]23C[C@H]2CN(c2c(Br)cncc2C#N)C3)cc1 2325867117 LFOYPIIMHJXJAU-MAUKXSAKSA-N 354.251 3.802 30 50 FHEA Cc1c(Cl)cccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N 791097 UVCCVZNQYBZPOI-UHFFFAOYSA-N 355.850 3.975 30 50 FHEA CCN(CC)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 1472984 OPPRXNURMZWNBU-UHFFFAOYSA-N 361.493 3.992 30 50 FHEA Cc1sc(NC(=O)COc2c(F)c(F)cc(F)c2F)c(C#N)c1C 2752146 ZUUBRQOCQQEQRY-UHFFFAOYSA-N 358.316 3.811 30 50 FHEA C=C(C)CNC(=O)Cc1c2c(n(Cc3ccc(F)cc3)c1C)CCCC2=O 12715016 WBTXPHYILCNZCV-UHFFFAOYSA-N 368.452 3.738 30 50 FHEA C#CCOc1ccccc1NCc1cc(OC)c(OC(F)F)c(OC)c1 225405069 OYVASFCIGJXYDX-UHFFFAOYSA-N 363.360 3.929 30 50 FHEA CC(C)c1noc(C2CCN(Cc3ccc(C#CC(C)(C)O)s3)CC2)n1 952980560 LOILYTHPAPSIGL-UHFFFAOYSA-N 373.522 3.757 30 50 FHEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 970304 MEKYOGKCSYEHDZ-UHFFFAOYSA-N 358.398 3.594 30 50 FHEA C=CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 2902346 UDJHMYKHSRPMEO-UHFFFAOYSA-N 350.370 3.876 30 50 FHEA C=CCc1cc(CNCCCn2ccnc2CC)cc(OCC)c1OC 1506417654 AYGNPWDZGRICDZ-UHFFFAOYSA-N 357.498 3.761 30 50 FHEA N#Cc1c(-c2ccc(CO)o2)cc(-c2cccc(N3CCCC3)c2)nc1N 71759548 ZMMSYNSKGODKSZ-UHFFFAOYSA-N 360.417 3.555 30 50 FHEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(F)c2)cc1OC 1248840 SIPPZMUHCPXUCO-VXLYETTFSA-N 358.398 3.646 30 50 FHEA CCN(CC)/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 18113761 PZHWTJPTJXPFBN-ZPHPHTNESA-N 350.871 3.817 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccn1 19761319 SEDUCHOIUKMEMK-OPAMFIHVSA-N 374.440 3.616 30 50 FHEA C=CCOc1c(Cl)cc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1Cl 4811256 NCGRQPVBRYYHIR-CQSZACIVSA-N 355.221 3.775 30 50 FHEA Cc1cccc2c1OC[C@H](/N=C(/O)N1CC(C)(C)[C@H]1c1cccnc1)C2 330210865 IRPXJDVCNZKHLW-IEBWSBKVSA-N 351.450 3.691 30 50 FHEA COc1cccc(-c2nc3c(C#N)c(-c4ccc5c(c4)OCO5)ccn3n2)c1 4050935 AXOWKAWDXDPKQF-UHFFFAOYSA-N 370.368 3.672 30 50 FHEA CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 275548181 FVGZZYGYUVCBJH-GOSISDBHSA-N 352.507 3.501 30 50 FHEA CCOc1cc(C#N)c(NC(=O)Cc2ccccc2OC)cc1OCC 1080807 IKFOGRBJJQRHRN-UHFFFAOYSA-N 354.406 3.545 30 50 FHEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc(F)c1 19848527 TZVJWDMIPZXXJR-GOSISDBHSA-N 363.388 3.957 30 50 FHEA C=CCn1ncc(CN2CCC[C@H](C(=O)c3ccc(OC)cc3C)C2)c1C 71774420 NHYLGPHUZDEQJX-SFHVURJKSA-N 367.493 3.789 30 50 FHEA Cc1c([C@H](C)NCc2ccc(C#CCCO)cc2)cnn1-c1ccccc1 12002732 MQLHSFLCSVRXSM-SFHVURJKSA-N 359.473 3.765 30 50 FHEA Cc1sc(NC(=O)[C@H](C)n2ncc(Br)c2C)c(C#N)c1C 2781071 ULPFNKCSYFFTFR-VIFPVBQESA-N 367.272 3.704 30 50 FHEA CC(C)COC(=O)c1cc(-c2ccc(C=Nn3cnnc3)o2)ccc1Cl 252327535 OVHPBLYWNQJIJB-UHFFFAOYSA-N 372.812 3.887 30 50 FHEA CN(C)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 13633116 VNUOLMATLPCKQO-PXLXIMEGSA-N 356.901 3.558 30 50 FHEA CC1(C)OB(c2cccc(NC(=O)c3ccc(Cl)cc3)c2)OC1(C)C 405032151 OSYYIIWUTXWWJE-UHFFFAOYSA-N 357.646 3.892 30 50 FHEA C=CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2575674 SVCMPCVPSYAVJO-AWEZNQCLSA-N 351.402 3.945 30 50 FHEA in-vitro C[C@H](C(=O)c1ccc(Br)cc1)[n+]1cccc(Br)c1 3131049 SEMBLYUEGMCKHP-SNVBAGLBSA-N 370.064 3.943 30 50 FHEA COc1cc(C#N)ccc1OCc1cccc(I)c1 4808544 LUJGWNNYYQXJEE-UHFFFAOYSA-N 365.170 3.750 30 50 FHEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2F)cc1 6819752 SHNSJIYHHFCBLI-WMLDXEAASA-N 365.404 3.839 30 50 FHEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccccc1 7720939 STLWGBRCMAISDK-UHFFFAOYSA-N 363.417 3.639 30 50 FHEA Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 8742649 KCZCTFMCOSOXKV-KRWDZBQOSA-N 364.357 3.667 30 50 FHEA CC1(C)OB(C2CCN(C(=O)c3ccc4ccncc4c3)CC2)OC1(C)C 864235948 SLJMAMASLLNXRU-UHFFFAOYSA-N 366.270 3.933 30 50 FHEA N#Cc1ccccc1CN1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2100548057 TVBVXVMDICZCPJ-QHCPKHFHSA-N 359.473 3.715 30 50 FHEA Cc1nccc(C/N=C(/O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)n1 328606743 SSXOVMLKRKDUTN-WIYYLYMNSA-N 350.466 3.544 30 50 FHEA C[C@@H]1CCc2sc(N3C(=O)[C@H]4CC=C(Cl)C[C@H]4C3=O)c(C#N)c2C1 239425671 UZFRZCVRHABEJM-SUZMYJTESA-N 360.866 3.767 30 50 FHEA C[C@H](CC#N)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 170944391 BZXZWLXZTXOZFE-SNVBAGLBSA-N 363.248 3.700 30 50 FHEA Cc1ccc([C@@]23C[C@H]2CN(c2ccc(Br)c(C#N)n2)C3)cc1 2325867492 XPNWFGOQXUAQGJ-KSSFIOAISA-N 354.251 3.802 30 50 FHEA Cc1ccc(NC[C@H](O)CSc2nc3c(cc2C#N)CCCC3)cc1 1118425 MZUJKSYDIHOKIL-SFHVURJKSA-N 353.491 3.706 30 50 FHEA N#Cc1ccc(-c2cccc(C(=O)N3CCCC4(CCOCC4)C3)c2)cn1 534676659 AWQZEAVGFIAQBS-UHFFFAOYSA-N 361.445 3.653 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(OC)c1 5427488 FMUYFLXYLOUZLR-UHFFFAOYSA-N 364.405 3.965 30 50 FHEA O=C(CCc1ccncn1)OCC#Cc1ccc(Oc2ccccc2)cc1 2325744669 LORMYBMHJALHEK-UHFFFAOYSA-N 358.397 3.796 30 50 FHEA Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 6725950 GQRWEEVSTZMFDM-JTQLQIEISA-N 358.492 3.574 30 50 FHEA COc1ccc(/C=C2\SC(N/N=C/c3ccc(Cl)cc3)=NC2=O)cc1 5558621 SMZKBIGJCMBKLH-YPWBLNBHSA-N 371.849 3.943 30 50 FHEA Cc1sc(NC(=O)CN2CCC(F)(c3ccccn3)CC2)c(C#N)c1C 289303910 IOBISXWCLPJQCX-UHFFFAOYSA-N 372.469 3.531 30 50 FHEA C=CCN1C[C@@H](C)N(C(=O)c2ccc(-c3ccc(F)cc3O)cc2)C[C@H]1C 426443491 XACZOFIPBLMMSQ-HZPDHXFCSA-N 368.452 3.919 30 50 FHEA COc1ccccc1N1CCN(/N=C/c2cccc(Br)c2)CC1 946028 OPUVRBNAQFAWOO-XSFVSMFZSA-N 374.282 3.614 30 50 FHEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccs1)c1ccccc1 5813895 IOXGVXUFBAOZPS-QGZVFWFLSA-N 362.410 3.926 30 50 FHEA Cc1cc(C)cc(OCC/N=C(/O)N2CCC[C@H](c3cc(C)[nH]n3)C2)c1 328755867 TWHOGICKXKVHKI-KRWDZBQOSA-N 356.470 3.507 30 50 FHEA N#Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1 758692 WZVLRRVJTHEUNP-UHFFFAOYSA-N 366.380 3.935 30 50 FHEA CCOC(=O)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 759576 OWOZYFPKPPMBSV-UHFFFAOYSA-N 361.441 3.502 30 50 FHEA CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 4681805 YUEISTHTGGNRTR-GOSISDBHSA-N 354.406 3.788 30 50 FHEA Cc1ccc(S(=O)(=O)CCSc2nc3c(cc2C#N)CCCC3)cc1 6143557 XJXCGTREGPZZMQ-UHFFFAOYSA-N 372.515 3.707 30 50 FHEA C=CCN(CC#Cc1ccccc1)[C@@H](C(=O)O)c1cc(C)c(OC)c(C)c1 55369738 OTZMUWLCGCFUHE-OAQYLSRUSA-N 363.457 3.977 30 50 FHEA N#Cc1c(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)sc2c1CCCCC2 100709464 RRSKSLDMAKYXOF-OLZOCXBDSA-N 360.866 3.911 30 50 FHEA CCCc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnn(C)c1 71774859 RQKOWXHOBGIMER-ZDUSSCGKSA-N 353.470 3.561 30 50 FHEA O=S(=O)(c1ccccc1)[C@H](N=C(Cl)Cl)C(Cl)(Cl)Cl 1056892 LTOKMRNFPSRXSO-ZETCQYMHSA-N 369.484 3.990 30 50 FHEA CCCCN1CCC[C@@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC 1535916 IDZASIQMRGPBCQ-QGZVFWFLSA-N 365.477 3.714 30 50 FHEA biogenic,investigational COc1ccc2c(c1)OCC/C2=N\OC(=O)c1cc(F)c(F)cc1Cl 4471196 GJCDFSGERMKBSE-RCCKNPSSSA-N 367.735 3.970 30 50 FHEA COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 4914466 CNGDWXXYKYMNOX-PBHICJAKSA-N 365.404 3.839 30 50 FHEA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 19315048 IBWOYFDXZPKSNH-FQEVSTJZSA-N 368.477 3.672 30 50 FHEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(F)cc(C#N)c1 55358716 RKRZDAZSMXXWOG-UHFFFAOYSA-N 362.364 3.576 30 50 FHEA OC(=Nc1cccc2c1OCO2)N1CCC[C@H]1c1ccc2c(c1)OCO2 329462576 QFQXGXDKCMJHAE-AWEZNQCLSA-N 354.362 3.527 30 50 FHEA CC(C)(C)[C@@H]1CCN(/C(O)=N/[C@H](Cc2ccccc2)C(F)(F)F)C[C@@H]1O 330817711 NEQKBNFXDPKTGB-OWCLPIDISA-N 372.431 3.803 30 50 FHEA C=CCOc1ccc(CN2CCC[C@H]2c2nonc2C)c(OCC=C)c1 55341379 ATHUMBJOJZGNIF-SFHVURJKSA-N 355.438 3.845 30 50 FHEA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C(F)(F)F)cc1 170612952 FASFDLYCXNODED-XCVCLJGOSA-N 364.279 3.992 30 50 FHEA COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2cccc(Cl)c2)S1 5047060 FONFWOADZKUQFU-YODDIOPGSA-N 373.865 3.513 30 50 FHEA CCOC(=O)c1sc(/N=C/c2ccccc2O)c(C(=O)OCC)c1C 2346755 OGFVMTCALLOKMK-VXLYETTFSA-N 361.419 3.866 30 50 FHEA CN(C)CCCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 5699691 ODARKJMXFBSZFF-UHFFFAOYSA-N 364.493 3.835 30 50 FHEA C#CCCC1(CCC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)N=N1 2325892299 IEXAEVBUBATFHD-CQSZACIVSA-N 359.499 3.669 30 50 FHEA Cc1nc(CCN(C)c2oc(-c3cccc4ccccc34)nc2C#N)no1 1857800624 KWWVDNWEUOFKTN-UHFFFAOYSA-N 359.389 3.737 30 50 FHEA C[C@H](c1ccco1)N(C)Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1 65394227 NWBRHRNDAMNFCQ-OAHLLOKOSA-N 360.417 3.992 30 50 FHEA COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 4915482 YVQQDLFGTUXOPL-CRAIPNDOSA-N 365.404 3.839 30 50 FHEA CN1CC[C@]2(CCCN(C(=O)c3ccc(-c4cccc(C#N)c4)cc3)C2)C1 426518275 ICGHPDLONUQNKA-HSZRJFAPSA-N 359.473 3.783 30 50 FHEA Cc1cccc2c(CC(=O)N3CCCN(c4ccccc4C#N)CC3)c[nH]c12 172829899 CDCCKJAEAJNLDP-UHFFFAOYSA-N 372.472 3.629 30 50 FHEA C=CCOc1ccc(CN(CCN(C)C)Cc2cnc(C)[nH]2)cc1CC=C 1772702406 VXAUVHZZLFJNBF-UHFFFAOYSA-N 368.525 3.575 30 50 FHEA COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br 16226540 GQNCDGRPKHAXQN-LCYFTJDESA-N 358.191 3.802 30 50 FHEA COc1ccc(C(C)C)cc1CN1CCN(c2ccc(C#N)cc2)C(=O)C1 82119955 AKCOOCGNEZKQIV-UHFFFAOYSA-N 363.461 3.539 30 50 FHEA CCN(CC)CCOC(=O)Nc1ccc(C(=O)/C=C\c2ccncc2)cc1 4531797 RKHKFZYXRMEILD-YHYXMXQVSA-N 367.449 3.868 30 50 FHEA N#Cc1c2c(c(NCCN3CCCCC3)n3c1nc1ccccc13)CCC2 945521 MVEOKHICOGPIMP-UHFFFAOYSA-N 359.477 3.746 30 50 FHEA N#Cc1c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)sc2c1CCCC2 1167461 WSHHPMASUIPYIX-AWEZNQCLSA-N 358.463 3.703 30 50 FHEA CC(C)(O)C#Cc1ccc(CN2CCC([C@H](O)c3cccs3)CC2)cc1 952964991 BCBZJVFMGVDWKL-NRFANRHFSA-N 369.530 3.816 30 50 FHEA O=C(C[n+]1ccc(/C=C/c2ccccc2)cc1)c1ccc2c(c1)OCCO2 2267927 OJKCNTHDYHCWIV-VOTSOKGWSA-N 358.417 3.799 30 50 FHEA C=CCOc1cccc(C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)c1 12713934 ZAQWSGMDYCBIMR-UHFFFAOYSA-N 370.493 3.506 30 50 FHEA C=CCN1C(=O)/C(=C2\SC(=S)N(CCCCC)C2=O)c2ccccc21 2672917 ZBBJGHUTCAJOJQ-NXVVXOECSA-N 372.515 3.981 30 50 FHEA CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O 13587680 HIFJCPQKFCZDDL-ITQKTNNISA-N 360.494 3.541 30 50 FHEA fda N#Cc1c(N)nc2c(c1-c1c(Cl)ccc(O)c1Cl)[C@H]1CC[C@@H](C2)N1 71775996 FLYOGOIAWHZQPQ-OIBJUYFYSA-N 361.232 3.564 30 50 FHEA C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)CCC(=O)O 257356516 IRQUJNVGEAJGSD-CGSRYZMKSA-N 374.477 3.905 30 50 FHEA N#Cc1ccc(-c2cccc(C(=O)NCC3CCNCC3)c2)cc1Cl 426503254 JKUAMCWTJSLANU-UHFFFAOYSA-N 353.853 3.608 30 50 FHEA CCc1nn(C)c(NC(=O)CC2=C(c3ccccc3)CCC2=O)c1CC 1506416627 KJUUDMFRMHYNON-UHFFFAOYSA-N 351.450 3.690 30 50 FHEA C=CCc1cc(Cl)ccc1OCCCC(C(=O)OCC)C(=O)OCC 4845354 DKOGYJUWXCNDMI-UHFFFAOYSA-N 368.857 3.970 30 50 FHEA N#Cc1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)sc2c1CCC2 20608236 YGWSHASMHAOBGB-UHFFFAOYSA-N 372.837 3.852 30 50 FHEA C=CCn1c(SCOC(=O)C(C)(C)C)nc2sc(C)c(C)c2c1=O 170591383 XFLMRWRZEIQFEH-UHFFFAOYSA-N 366.508 3.900 30 50 FHEA COc1ccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)c(OC)c1 13763727 KDXHDDOSBANVSS-CIAFOILYSA-N 364.405 3.621 30 50 FHEA CC(C)C[C@H](C)C(=O)NCC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 2325866915 DXZORTZDTLVPJB-AZUAARDMSA-N 355.526 3.959 30 50 FHEA N#Cc1cc(F)cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c1 77339898 DUFPTMRVNYXULL-AWEZNQCLSA-N 356.372 3.768 30 50 FHEA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cccc(C#N)c2)C3)cc1 91526437 OZZYSFDGYGYQFU-FCHUYYIVSA-N 361.489 3.663 30 50 FHEA CC(=O)NCc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1 187297233 QNPUUECVKMOTEW-UHFFFAOYSA-N 355.482 3.551 30 50 FHEA CCOc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)c1O 239248024 XWQDBQLKQGCJJV-UHFFFAOYSA-N 374.853 3.874 30 50 FHEA C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1cnc(-c2ccccc2)[nH]1 2325859744 JCYHATPDAZGBMW-SFHVURJKSA-N 371.488 3.655 30 50 FHEA C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1ccccc1 5047096 QCOVCJQGBPASPF-ZTFHPCNJSA-N 367.449 3.888 30 50 FHEA CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 27517578 HIFJCPQKFCZDDL-DDTNHEQNSA-N 360.494 3.541 30 50 FHEA in-vitro N#CCN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CCCC1 170634247 GGIUKGWMFGSKLY-UHFFFAOYSA-N 364.327 3.664 30 50 FHEA C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC=C(c2ccc(F)cc2)CC1 192997506 ZCWHJKARSZHFDG-MRXNPFEDSA-N 355.457 3.646 30 50 FHEA O/C(=N/CCc1cscn1)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 328605472 NWZFWRPQGADCKP-ZWKOTPCHSA-N 368.462 3.606 30 50 FHEA N#Cc1cnc2c(Cl)cccc2c1N1CCN[C@@H](Cc2ccccc2)C1 1458554838 OZEYMSTWPVSONM-KRWDZBQOSA-N 362.864 3.781 30 50 FHEA C=C(C)Cn1nc(-c2ccco2)nc1C[C@H](c1ccccc1)n1ccnn1 1875335748 FPXNEQOJSUADTF-QGZVFWFLSA-N 360.421 3.538 30 50 FHEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc(C)c1 7720192 ZABFNLNPEFQWGM-UHFFFAOYSA-N 363.417 3.882 30 50 FHEA C=CCN(Cc1ccccc1OCC)C(=O)c1cc(=O)c2ccccc2[nH]1 55307686 GWSVJQBYSOLPOD-UHFFFAOYSA-N 362.429 3.755 30 50 FHEA COc1cc(OC)c(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)cc1OC 67472615 NVKWRPKYRWTFRI-UHFFFAOYSA-N 365.389 3.797 30 50 FHEA O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914728 ACQSSVHQYWANGK-RHSMWYFYSA-N 353.368 3.969 30 50 FHEA CC1(C)C[C@](CCNC(=O)N2CCC(C#N)CC2)(c2ccccc2)CCO1 426430970 FSSLGWINRITJJN-JOCHJYFZSA-N 369.509 3.849 30 50 FHEA C#CCCC1(CCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)N=N1 2325891061 OGHUQQBSDKXZSR-UHFFFAOYSA-N 364.453 3.585 30 50 FHEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 19790760 SZVQRCCJPPUGTQ-HXUWFJFHSA-N 366.461 3.925 30 50 FHEA CC(C)Oc1cccc2c1c(NC(=O)c1cc(F)cc(C#N)c1)nn2C 77354771 WEPVMNTUDZMKSJ-UHFFFAOYSA-N 352.369 3.624 30 50 FHEA O=[N+]([O-])c1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)cc1 252429451 QMWWNZPKPBLVOL-UHFFFAOYSA-N 359.798 3.678 30 50 FHEA C#CCCC1(CCC(=O)N[C@@H](Cc2ccccc2)Cc2cscn2)N=N1 2325892436 NLDGSYOUQWTZCQ-KRWDZBQOSA-N 366.490 3.769 30 50 FHEA C#CCCC1(CCC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)N=N1 2325892505 PKHANOLYLRKGIS-MRXNPFEDSA-N 366.465 3.995 30 50 FHEA Cc1cc(C)c(C#N)c(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 95513302 LYPWQHXHQAJSIX-UHFFFAOYSA-N 372.476 3.594 30 50 FHEA Cc1nsc(N2CCN(c3nc(Cl)cc4ccccc34)CC2)c1C#N 1875337325 RAXCGRNOMKTVBQ-UHFFFAOYSA-N 369.881 3.851 30 50 FHEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1 13285519 VFYGBBGWINROOO-LJQANCHMSA-N 354.450 3.637 30 50 FHEA Cc1nc2sc3c(c2c(=O)n1C(=S)/N=C/c1ccccc1)CCCC3 2597831 RYXDPZRKAWKXRH-RGVLZGJSSA-N 367.499 3.897 30 50 FHEA CCN1CCC[C@@H](CN(C)[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 328632997 LRWRZNFWYNOBAN-PIPMEXSNSA-N 365.525 3.758 30 50 FHEA C#CCCC1(CCC(=O)NCc2ccncc2OCc2ccccc2)N=N1 2325892135 AQODVXNIOIDHHT-UHFFFAOYSA-N 362.433 3.633 30 50 FHEA COc1ccc(/C=C2\Nc3ccn(Cc4ccccc4)c(=O)c3C2=O)cc1 23549733 JECUZXGLLMFYHK-UYRXBGFRSA-N 358.397 3.555 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1Cl 25694834 DBGYTQQTKVQZJZ-INIZCTEOSA-N 360.841 3.512 30 50 FHEA CCO[C@@H]1C[C@H](Nc2ccc(Br)cc2C#N)C12CCOCC2 302292714 WVLBXVFFHGQYEU-JKSUJKDBSA-N 365.271 3.707 30 50 FHEA N#CCCC[C@@H](NC(=O)C[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 2325780817 RGVWHDDCUAPOTP-RBUKOAKNSA-N 361.445 3.739 30 50 FHEA CN(Cc1nccs1)[C@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 275548184 FVGZZYGYUVCBJH-SFHVURJKSA-N 352.507 3.501 30 50 FHEA Cc1cc(C#N)ccc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 329078676 BPRMMYIMFIZGAF-UHFFFAOYSA-N 358.445 3.838 30 50 FHEA C#CCCC1(CCNS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)N=N1 2325900029 IIUWBTNLKFGIRG-UHFFFAOYSA-N 361.511 3.845 30 50 FHEA C=CCOC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 2902288 CYTZHZDUSVEGMB-UHFFFAOYSA-N 364.397 3.800 30 50 FHEA O/C(=N/C1Cc2ccccc2C1)N[C@H]1c2ccccc2CC12CCOCC2 329615054 PLEUAKVDXHZAEL-NRFANRHFSA-N 362.473 3.752 30 50 FHEA Cc1oc2ccc(N=C(O)N=c3cc([C@@H]4CCCOC4)[nH][nH]3)cc2c1C 329807276 AALJRXQRQFQYQG-CYBMUJFWSA-N 354.410 3.746 30 50 FHEA Cc1cnc(C2CCN(c3ncc(Br)cc3C#N)CC2)s1 296882130 XCZUPNUWHJZCNB-UHFFFAOYSA-N 363.284 3.865 30 50 FHEA C=CCN1C(=O)[C@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 4301635 SGLAWCKYTLMZBX-PCYTUBISSA-N 359.425 3.636 30 50 FHEA O/C(=N/Cc1ccnc(OC2CCOCC2)c1)N[C@@H]1C[C@H]1C1CCCCC1 329802958 KVSCONCGJWEBSI-RBUKOAKNSA-N 373.497 3.612 30 50 FHEA O=C1C[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914687 BTAMLTLRATZKSX-RHSMWYFYSA-N 353.368 3.969 30 50 FHEA C=CCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)c1 12701844 FPAJCNRYYYUGGX-GOSISDBHSA-N 370.493 3.506 30 50 FHEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 19774987 IPWHHNNOQBYLTR-KRWDZBQOSA-N 361.388 3.742 30 50 FHEA CC(C)CN(Cc1cccnc1)C(=O)c1cccc(C#CC(C)(C)O)c1 952991058 ZFCUGMFUHCQXOX-UHFFFAOYSA-N 350.462 3.502 30 50 FHEA CCOc1cc(C#N)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 1076820 FFUKIQRXJHNROV-UHFFFAOYSA-N 355.350 3.516 30 50 FHEA O[C@@](C#C[C@](O)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F 4348160 CAWQSBSWIGDWAY-HOTGVXAUSA-N 374.280 3.890 30 50 FHEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)Cn1cnc2ccsc2c1=O 55414398 DDNPFIKWSUSTKO-HOTGVXAUSA-N 369.490 3.526 30 50 FHEA N#Cc1c(NCc2nccn2C(F)F)nc2c(c1C#N)CCCCCC2 280774745 SGFXPOLDQJOABH-UHFFFAOYSA-N 356.380 3.688 30 50 FHEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1n[nH]c2c1CCCCC2 670459575 KLGDQQOWNRMXNE-UHFFFAOYSA-N 363.461 3.502 30 50 FHEA C=CCNC(=O)CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1 2731851 PACGMJXIDZUUEN-UHFFFAOYSA-N 354.262 3.845 30 50 FHEA C=CCN(Cc1ccccc1OCC)C(=O)c1nc(O)c2ccccc2n1 55042053 UHBHUNQBYMENTF-UHFFFAOYSA-N 363.417 3.563 30 50 FHEA CC1(C)OB(c2ccc(C(=O)NC3CCCC3)c3ccccc23)OC1(C)C 170004503 YKPVFNJAAGRXKB-UHFFFAOYSA-N 365.282 3.811 30 50 FHEA CC1(C)OB([C@@H]2CCN(C(=O)N3CCC[C@@H]3c3ccncc3)C2)OC1(C)C 1875366777 VNVNZQWZMWLTFT-IAGOWNOFSA-N 371.290 3.507 30 50 FHEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 861751 LCNHMTWIHYLEKA-ICSRJNTNSA-N 365.385 3.914 30 50 FHEA aggregator Cc1ccc(N2CCC[C@H](/N=C(/O)Cc3ccc4c(c3)CCCC4)C2)nn1 329585751 MHRXRITUQDYRFH-FQEVSTJZSA-N 364.493 3.832 30 50 FHEA CC(C)(C)OC(=O)N1CC[C@@]2(C1)[C@@H](B1OC(C)(C)C(C)(C)O1)C2(F)F 1857784327 JDMHCSQIBXORBW-BDJLRTHQSA-N 359.222 3.725 30 50 FHEA COCc1cc(C)nc(SCC(=O)Oc2ccc(Cl)cc2)c1C#N 1427967 SLCVJLPHILJWLG-UHFFFAOYSA-N 362.838 3.759 30 50 FHEA N#Cc1c(NC(=S)NC(=O)/C=C/c2ccccc2)sc2c1CCC2 14041127 ZGQIXYJGMXLCBH-MDZDMXLPSA-N 353.472 3.635 30 50 FHEA C=C(C)CN(C)c1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1 39461195 UFCPZUQSCOCXHP-UHFFFAOYSA-N 366.421 3.828 30 50 FHEA N#Cc1ccc(CNC(=O)c2cccnc2SC(F)(F)F)c(F)c1 170931334 JKXCXBYQNGMACS-UHFFFAOYSA-N 355.316 3.634 30 50 FHEA Cc1cccc(NC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 196261925 RRBQRXSUDSDIMI-UHFFFAOYSA-N 352.243 3.938 30 50 FHEA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1cccc(C#N)c1)CC2 426425490 SLBLVKDYCGHCOR-JAXLGGSGSA-N 363.461 3.544 30 50 FHEA C#CC[C@@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 756954306 WXGJMMYJDVVYBR-GOSISDBHSA-N 355.401 3.698 30 50 FHEA N#Cc1ccc2ccccc2c1CN(Cc1ccccc1)[C@]1(CO)CCOC1 1875268629 ZQWNVAUAPFCEPI-DEOSSOPVSA-N 372.468 3.865 30 50 FHEA