smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1 1193023 PNFXTTSYFGPYHT-CIAFOILYSA-N 366.490 3.939 50 50 FHGA O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(F)c1 704686 CLWHEATWXKMBRU-RGVLZGJSSA-N 353.309 3.758 50 50 FHGA CC1=C(C#N)[C@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(N)O1 994153 IPGXOOIYCYNPMM-MRXNPFEDSA-N 352.415 3.573 50 50 FHGA CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 3147518 UFCPPKZLLFOTAL-KEBDBYFISA-N 367.232 3.921 50 50 FHGA C=CCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)cc1 37867213 ZUIBMKWJVVTYEH-SRZZPIQSSA-N 368.824 3.625 50 50 FHGA CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 4812591 WQOHVEUWLNPAEG-LBPRGKRZSA-N 373.254 3.688 50 50 FHGA O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 3194184 BLMHHXZFKXMLGI-HZHRSRAPSA-N 360.413 3.795 50 50 FHGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2OCC)cc1 2080932 SWFICZOHDHDHBX-PXLXIMEGSA-N 370.449 3.793 50 50 FHGA Cc1ccc([C@@H]2C(C#N)=C(N)S[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])cc1 14944155 KBMHVFMSHPQZFZ-KZNAEPCWSA-N 351.431 3.906 50 50 FHGA O=C(CCc1ccccc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 1194127 WIQBZSJCAKOVIO-HYARGMPZSA-N 362.385 3.728 50 50 FHGA O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccc(Cl)cc1 5756982 VRWNBWJIURGORT-RGVLZGJSSA-N 364.232 3.862 50 50 FHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 752551 JYORIGWCMGDEFO-KKSFZXQISA-N 372.424 3.904 50 50 FHGA CC(C)(C)OC(=O)NN=Cc1cccc(OC(=O)C=Cc2ccco2)c1 2049286376 GWYPAWZQJIFVDB-UHFFFAOYSA-N 356.378 3.757 50 50 FHGA CC1=C(C#N)[C@@H](c2cccc(Br)n2)C2=C(CC(C)(C)CC2=O)N1 636698 UDHARPKFPPJRAT-INIZCTEOSA-N 372.266 3.972 50 50 FHGA COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CCCCl)cc1 3883400 OKUZYLRANRUHLW-QZTJIDSGSA-N 373.836 3.689 50 50 FHGA N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccc(Cl)cc1 2855359 RWDNUHKTBWDKKU-VZUCSPMQSA-N 371.736 3.523 50 50 FHGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2ccc(/C=N/O)c(F)n2)C1 169794013 WOTVVABGCQKFMF-UZPSYVQNSA-N 353.514 3.877 50 50 FHGA in-vitro COc1cc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)ccc1O 9110323 SDJHOLLCTNPNBC-HNNXBMFYSA-N 366.442 3.673 50 50 FHGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1 946751 BWLFBWYSAVQYAH-LPYMAVHISA-N 362.433 3.745 50 50 FHGA COc1ccc(C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 2950203 OEZQWVLZNGBCIC-SRZZPIQSSA-N 353.809 3.969 50 50 FHGA CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 1427252 ZFHZOOKVASZQPL-IBGZPJMESA-N 371.440 3.880 50 50 FHGA Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2)cc1 4978219 YARNUEWJGCJUNS-HXUWFJFHSA-N 372.428 3.824 50 50 FHGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 705505 KDDPRAAYXCPUTO-NRFANRHFSA-N 371.440 4.000 50 50 FHGA Cc1ccc(C)c(NC(=S)NNC(=O)CSCc2ccccc2)c1 6390485 JKBUEXSCOTVSEQ-UHFFFAOYSA-N 359.520 3.554 50 50 FHGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccccc1 3162108 YFCOVYXAQCTMLX-HZHRSRAPSA-N 360.413 3.795 50 50 FHGA C[C@@H](Cl)C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 1875380553 RUDJNKQTMHRICO-YLJYHZDGSA-N 371.912 3.702 50 50 FHGA COc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)cc1 5593491 HTEVLHVGZMJIIM-AEOXGOBCSA-N 368.462 3.593 50 50 FHGA Cc1cccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 939555 QPHUXNCRBNZXHD-NSHDSACASA-N 367.232 3.530 50 50 FHGA NP(=O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 100183694 JRIPXRAYILRSLL-UHFFFAOYSA-N 353.202 3.912 50 50 FHGA BrCCOc1ccc(Br)cc1Br 84402770 ZJAWXCGAPUYTAZ-UHFFFAOYSA-N 358.855 3.985 50 50 FHGA c1ccc([P+](CCC2OCCO2)(c2ccccc2)c2ccccc2)cc1 95713921 JQBZKUAKVQWPBW-UHFFFAOYSA-N 363.417 3.744 50 50 FHGA in-vitro O=C(N/N=C/c1c(F)cccc1Cl)c1n[nH]c2c1CCc1ccccc1-2 6383093 ISPMDWSDHQNDNQ-LSHDLFTRSA-N 368.799 3.732 50 50 FHGA COc1ccc(/C(C)=N/NC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 5750442 SWWKAXGQYZSCGN-XQNSMLJCSA-N 367.449 3.571 50 50 FHGA N#C/C(=C/c1ccc(I)o1)c1ccc2c(c1)OCO2 16362034 RYTSUTLWBHOIRX-YHYXMXQVSA-N 365.126 3.677 50 50 FHGA C=CCc1cccc(/C=N/NC(=O)COc2ccc3ccccc3c2)c1O 1233669 MGVNUFDGVFQSAZ-OEAKJJBVSA-N 360.413 3.803 50 50 FHGA Cc1cc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]n1 1051022 CEAWQWWVOBUDFC-SRZZPIQSSA-N 356.470 3.783 50 50 FHGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 5574502 SZVKWNOFWMOSKL-OAHLLOKOSA-N 364.430 3.755 50 50 FHGA O=C(CBr)c1cc(F)cc(Br)c1Br 263624378 PXFHTJMWYHQQHM-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA COc1ccc([C@@H]2C(C#N)=C(S)NC3=C2C(=O)CC(C)(C)C3)cc1OC 12384427 ISYWEMTYPDNFIQ-QGZVFWFLSA-N 370.474 3.699 50 50 FHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2)cc1 4210485 RHDJOEXLQMLPMR-OEAKJJBVSA-N 374.396 3.684 50 50 FHGA C=CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 2143775 LGQRYWXLJFPLCR-SFHVURJKSA-N 350.418 3.702 50 50 FHGA O=C(COc1ccc2ccccc2c1)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 2771699 DJPSYFCGCPXNPX-QNHQYDMRSA-N 365.345 3.535 50 50 FHGA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Cl)[C@@H]2Cl 101137107 HVDYUTDWJCDTJP-JSKVFSMCSA-N 360.879 3.862 50 50 FHGA COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@@H](C)Cl)CC2 1875364921 YBJKQKGESYFDQY-DIFFPNOSSA-N 365.882 3.867 50 50 FHGA CCOc1ccc(/C(C)=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1 3903256 OWNBATLNUPTJEK-PXLXIMEGSA-N 362.433 3.938 50 50 FHGA COc1cc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)ccc1O 9110324 SDJHOLLCTNPNBC-OAHLLOKOSA-N 366.442 3.673 50 50 FHGA C[C@H]1C[C@H](P(c2ccccc2)c2ccccc2)OB(c2ccccc2)O1 195803512 QLXAORCNSGXDJH-AVRDEDQJSA-N 360.202 3.666 50 50 FHGA CC(C)(C)C1CCC(=NNC(=O)c2ccc(CN3CCOCC3)cc2)CC1 19418407 UYXZFCNWPFDPRU-UHFFFAOYSA-N 371.525 3.841 50 50 FHGA CCn1c(SCC(=O)N/N=C/c2sccc2C)nc2ccccc21 945974 YPXIGNSMGLZNKV-VCHYOVAHSA-N 358.492 3.669 50 50 FHGA C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cccc2cccnc12 1211087 AACYNLOMCOGAAU-PVLQNKMRSA-N 370.412 3.701 50 50 FHGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccccc2Cl)n[nH]1 1773982 LQFRBLAYAPIHOM-SSDVNMTOSA-N 363.808 3.975 50 50 FHGA O=C1c2ccccc2C(=O)C1(Cl)[C@@H](Cl)c1ccc([N+](=O)[O-])cc1 3080752 AGHUIHFZNWUYCS-ZDUSSCGKSA-N 350.157 3.932 50 50 FHGA CC(C)(C)OC(=O)N/N=C(/Cc1ccc(Cl)cc1)NCC(F)(F)F 66323333 WWXDXDDVULYFKG-UHFFFAOYSA-N 365.783 3.873 50 50 FHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CC[C@]34O[C@H]3C(=O)CC[C@@]14C[C@H]1O[C@@H]1C2 257359267 ZIIMGLGIENRQEF-COKFHCAMSA-N 364.558 3.835 50 50 FHGA N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccccc1[N+](=O)[O-] 17076153 CEPDNTOKAAXKSP-VZUCSPMQSA-N 371.736 3.523 50 50 FHGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 855484 VLKMXTVESNIZON-FYJGNVAPSA-N 362.389 3.766 50 50 FHGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(SC)cc2)C(C#N)=C(N)O1 752585 KWIBAVZMAFAHMD-INIZCTEOSA-N 358.463 3.833 50 50 FHGA C[C@@]12CCC3(CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#N)OCCO3 253527959 VRSHJJXUDZAQKD-LDIYZUBKSA-N 357.494 3.947 50 50 FHGA O=C1OC(=O)c2ccccc2/C1=N\Nc1ccc(Cl)c(C(F)(F)F)c1 100924241 TXCRVEXDNMZZCT-LPYMAVHISA-N 368.698 3.872 50 50 FHGA O=C(CCl)N[C@@H](c1ccc2c(c1)OCCCO2)c1ccccc1Cl 1875384941 YVSDQTXEMQQYJK-SFHVURJKSA-N 366.244 3.946 50 50 FHGA C[C@@H](NC(=S)NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 6853032 LSCYTACOHRNVNY-LFPRZYRFSA-N 371.550 3.849 50 50 FHGA O=C(CCc1ccccc1)NNC(=S)Nc1cc(Cl)cc(Cl)c1 6829454 XGRDCHODFREUFY-UHFFFAOYSA-N 368.289 3.944 50 50 FHGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1 4360282 JDSRMRKJYXBDCZ-HYARGMPZSA-N 370.449 3.663 50 50 FHGA COc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC 3576418 YIJZDEFFFGKWAA-DJKKODMXSA-N 353.205 3.775 50 50 FHGA COc1cccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC 628739 PKBDVUUHVFBPHB-GOSISDBHSA-N 352.434 3.831 50 50 FHGA CN(C(=O)CBr)c1ccc(Cl)cc1C(=O)c1ccccc1 1840980 ATRGENZZRLPDFV-UHFFFAOYSA-N 366.642 3.929 50 50 FHGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)s1 752511 KKXSNSFABZGPSJ-FUXBKTLASA-N 365.252 3.571 50 50 FHGA C=CCOc1ccccc1/C=N/NC(=O)c1ccccc1Br 2901062 PHFFUVULRBPXHR-XDHOZWIPSA-N 359.223 3.778 50 50 FHGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(O)cc1 65356347 HMVSLCQDVNRNJA-HXUWFJFHSA-N 357.413 3.697 50 50 FHGA COc1cccc2c1CC[C@]2(CBr)NC(=O)OC(C)(C)C 725269454 UIKGHKKSPDOJPV-MRXNPFEDSA-N 356.260 3.756 50 50 FHGA CC(C)(C)c1cc(/C=N/NC(=O)c2cnccn2)cc(C(C)(C)C)c1O 1306321 GSNSJAMMEWEGBG-FOKLQQMPSA-N 354.454 3.541 50 50 FHGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1O 4372890 QWGMTCGPGLYTNR-LGVXEURYSA-N 360.413 3.977 50 50 FHGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 2530428 XRULESJNTVDXMV-HZHRSRAPSA-N 373.412 3.876 50 50 FHGA O=C(O)CCSSCCNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 1875388889 UNVKBWHEGMMGST-HZPDHXFCSA-N 367.536 3.618 50 50 FHGA COc1ccc(/C=C(\C#N)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 4831775 PSUWIMNKZCIZNF-NTUHNPAUSA-N 370.361 3.693 50 50 FHGA N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccnc1 13162837 RUVSICVFDATNKI-BKUYFWCQSA-N 369.424 3.884 50 50 FHGA N#Cc1ccc(NNC(=O)c2ccc(Cl)c(C#N)c2)c(C(F)(F)F)c1 799750561 IMIVTXSOJRKCSB-UHFFFAOYSA-N 364.714 3.859 50 50 FHGA C/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)c2ccco2)c1 5019937 UXFDWLPYRBAZFW-MTJSOVHGSA-N 351.362 3.587 50 50 FHGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc3ccccc3c2)n[nH]1 1190092 YSFPFQRJXYPAHT-LPYMAVHISA-N 356.385 3.699 50 50 FHGA COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1C(=O)O 5028690 IYTZCDMAYJQRLZ-DHDCSXOGSA-N 350.374 3.556 50 50 FHGA COc1ccc(/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1OC 5006192 RGHDGHWSVMAHLI-HZHRSRAPSA-N 362.429 3.940 50 50 FHGA Cc1cccc(C(=O)NNC(=O)c2cc3c4ccccc4n(C)c3s2)c1 1386908 NKFHLRYMTOONQC-UHFFFAOYSA-N 363.442 3.776 50 50 FHGA CCCCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1 2843539 DAZVGWNVLSLILT-SFHVURJKSA-N 356.422 3.510 50 50 FHGA CC1(C)OB(c2ccc(C(F)(F)F)cc2CBr)OC1(C)C 170008643 JZOSNWGJPQXMMC-UHFFFAOYSA-N 364.998 3.900 50 50 FHGA CC(C)(C)c1n[nH]c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 4812593 WQOHVEUWLNPAEG-GFCCVEGCSA-N 373.254 3.688 50 50 FHGA CCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2CC)cc1 1245142 QQPWVVVTSBNLHC-FYJGNVAPSA-N 366.490 3.861 50 50 FHGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1Cl 2566418 WMIRKXZEOZZWRM-UFWORHAWSA-N 370.623 3.736 50 50 FHGA O=C(CBr)c1ccc(I)c(Cl)c1 230278509 ZVWGSPRJSYFWSD-UHFFFAOYSA-N 359.388 3.522 50 50 FHGA CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OCC)C(C#N)=C(N)O1 1227797 DNNFNQPAVFNCKR-QGZVFWFLSA-N 356.422 3.510 50 50 FHGA N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccc(C(=O)O)cc1 4810701 ZNWWTSLIGUUBGZ-WLRTZDKTSA-N 372.174 3.940 50 50 FHGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 4997638 DUXWACNHZSPBGS-QGZVFWFLSA-N 358.401 3.612 50 50 FHGA c1ccc(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169815945 FNJGJIYEZWWABI-UHFFFAOYSA-N 352.509 3.733 50 50 FHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cccc(F)c1 718393 LRTZPOBTWMJNKH-HNNXBMFYSA-N 350.328 3.573 50 50 FHGA Cc1nn(C(F)F)c(C)c1CC(=O)NNc1cccc(C(F)(F)F)c1 170621150 HHRONNJFPWCNTK-UHFFFAOYSA-N 362.302 3.600 50 50 FHGA OB(O)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1 503895030 MLFGWWZGBTYHTM-UHFFFAOYSA-N 362.237 3.730 50 50 FHGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(F)(F)F)cc1 732351 KXVJZEJRKIXOAW-ZVBGSRNCSA-N 372.730 3.768 50 50 FHGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C 19879742 GSGBXYTXNMZSAL-JQLZVUEQSA-N 355.825 3.792 50 50 FHGA N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)OCO2 17074189 MJNLRCKUYDBZBW-KPKJPENVSA-N 360.291 3.980 50 50 FHGA COc1ccc(/C=N\NC(=O)c2ccco2)cc1COc1ccc(F)cc1 32573537 DJUNVVHSZCPLCC-UUYOSTAYSA-N 368.364 3.770 50 50 FHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 4081430 ZCSOKCWHRBYRRA-DEDYPNTBSA-N 367.478 3.748 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccncc1 5354012 BWUCRWNIMCQMIM-OEAKJJBVSA-N 355.401 3.779 50 50 FHGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1 1213876 DZCPXYMETSMYKE-GIJQJNRQSA-N 367.630 3.632 50 50 FHGA Cc1ccc(C)c(NC(=S)NNC(=O)c2csc3c2CCCC3)c1 13469003 UFEXROJJRYHCGK-UHFFFAOYSA-N 359.520 3.875 50 50 FHGA CCOc1cc2c(cc1/C=C(/C#N)c1nc3cc(OC)ccc3[nH]1)OCO2 4754865 WVZPDKBWSLIHIB-MLPAPPSSSA-N 363.373 3.763 50 50 FHGA O=C(O)[C@H](Br)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100440299 PKGVWUJFDWNKFJ-HAPPLVQASA-N 352.066 3.568 50 50 FHGA Cc1c(/C=N/NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cnn1C 6413282 YOSZEMLMRFFSTK-IOVUBPJKSA-N 364.474 3.712 50 50 FHGA CC(C)(C)OC(=O)N[C@H](CI)Cc1ccccc1 34411355 OOWACWHUQANTFH-LBPRGKRZSA-N 361.223 3.557 50 50 FHGA in-vitro COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 5126060 OHWZSTRWPKOKPS-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA CCN(CC)c1ccc(/C=N/NC(=O)CNc2cccc(Cl)c2)cc1 5130626 YDEKQSYAVKXZIY-LPYMAVHISA-N 358.873 3.748 50 50 FHGA C/C(=N\NC(=O)Cn1c(-c2ccccn2)nc2ccccc21)c1ccccc1 4786406 ZMXHKLVFIQKQGU-PCLIKHOPSA-N 369.428 3.639 50 50 FHGA COC(=O)N/N=C\c1cc(Br)ccc1OCc1ccccc1 32632340 PWXOXTWFAGDXIM-ZDLGFXPLSA-N 363.211 3.718 50 50 FHGA C[C@H]1C[C@@H](P(c2ccccc2)c2ccccc2)OB(c2ccccc2)O1 195803515 QLXAORCNSGXDJH-PGRDOPGGSA-N 360.202 3.666 50 50 FHGA Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1 8685689 QRJKLUZVWNTEEP-HZPDHXFCSA-N 359.882 3.770 50 50 FHGA COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 752621 ONZUEPFLPAVQKO-BTYIYWSLSA-N 372.424 3.904 50 50 FHGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 945621 NYVQNCFSYHUZQU-CIAFOILYSA-N 368.824 3.893 50 50 FHGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2C[C@H](CC(C)(C)C)CC3)cc1 5295941 WZYIJJDWQOBBGY-IKMPRTQCSA-N 368.481 3.723 50 50 FHGA Cc1cccc(C(=O)NNC(=O)c2cc3cc4ccccc4nc3s2)c1 1399204 RVCBOYLOEQZXCL-UHFFFAOYSA-N 361.426 3.833 50 50 FHGA O=C(O)CCSSCCNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 1875388888 UNVKBWHEGMMGST-HOTGVXAUSA-N 367.536 3.618 50 50 FHGA C[C@H](Cl)C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 1875380550 RUDJNKQTMHRICO-FXAWDEMLSA-N 371.912 3.702 50 50 FHGA CCn1c(-c2ccccc2)cs/c1=N/NC(=O)COc1ccccc1C 102318092 HFPQUUNGILBTGH-LSDHQDQOSA-N 367.474 3.556 50 50 FHGA COc1ccc(CCN(Cc2ccsc2)C(=O)[C@H](C)Cl)cc1OC 1875364292 NICHDHHNLSRDMD-ZDUSSCGKSA-N 367.898 3.964 50 50 FHGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 2379915 PYNOLIPJCQUMAI-KCHOUBKZSA-N 362.216 3.747 50 50 FHGA CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccccc1F 2888697 QGKFYHNOPKPWMW-OQLLNIDSSA-N 356.422 3.996 50 50 FHGA C/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(C)o2)c1 13108735 XJSJJTZFMRJRBY-BKUYFWCQSA-N 351.362 3.587 50 50 FHGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1216456 SBRZEQCMUPOICW-HADWXUJASA-N 363.373 3.666 50 50 FHGA Cc1c(C(=O)NNC(=S)NCc2ccc(Cl)cc2)oc2ccccc12 2857262 UXNVOHMFTBZTLD-UHFFFAOYSA-N 373.865 3.704 50 50 FHGA CC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2521107 TVVGHJCGDYKXHH-DJKKODMXSA-N 351.189 3.683 50 50 FHGA CCN(CC)[C@H](CNC(=O)[C@H](C)Cl)c1ccc(C(F)(F)F)cc1 1875364906 XXKYKJVXTXJZFT-SMDDNHRTSA-N 350.812 3.832 50 50 FHGA Cc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 939546 MXGBIANZAWICKC-NSHDSACASA-N 367.232 3.530 50 50 FHGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(F)cc2)[nH]n1 4953957 FORLRBSSYGTCPI-LPYMAVHISA-N 366.396 3.769 50 50 FHGA CC1(C)OB(c2cc(C(F)(F)F)ccc2CBr)OC1(C)C 261493627 GDYCGJMXMOEPQO-UHFFFAOYSA-N 364.998 3.900 50 50 FHGA C[Si](C)(C)OC(=O)[C@@H]1CCCN1C[P@@](C)(=O)O[Si](C)(C)C 217370003 NCWPEIANHWIWHD-BUXKBTBVSA-N 351.532 3.546 50 50 FHGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1 2754803 NXGCEGQMAQDRIK-UHFFFAOYSA-N 366.367 3.558 50 50 FHGA Cc1ccc([C@@H]2C(C#N)=C(N)S[C@H](c3ccccc3)[C@H]2[N+](=O)[O-])cc1 14944158 KBMHVFMSHPQZFZ-FGTMMUONSA-N 351.431 3.906 50 50 FHGA C=CCOc1ccccc1/C=N/NC(=O)COc1cccc2ccccc12 4372688 NQHXCBNYXYBMHM-HZHRSRAPSA-N 360.413 3.934 50 50 FHGA Cc1cc(C)nc(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)n1 1053894 YWTLXIOMTMJVCH-CNHKJKLMSA-N 369.277 3.643 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Cl)cc1 632578 FVUNYVVVJSXLRZ-OAHLLOKOSA-N 350.761 3.665 50 50 FHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cc(F)ccc1F 1132559 OKLBSPANEFXWKV-HNNXBMFYSA-N 350.328 3.573 50 50 FHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1 9011889 NFDIJZDWYGFKCX-YDZHTSKRSA-N 373.416 3.721 50 50 FHGA CCOC(=O)/C(O)=C(/C#N)C1(C#N)CCC(C)(OCc2ccccc2)CC1 102310619 IWOXNHZNNSSGOD-ISLYRVAYSA-N 368.433 3.945 50 50 FHGA CCCCNC(=O)NNC(=O)c1sc2cc(CC)ccc2c1Cl 2089915 WZVCFLOKNBETCB-UHFFFAOYSA-N 353.875 3.861 50 50 FHGA Cc1cc2ccccc2nc1NNC(=O)CCc1nnc(-c2ccccc2)o1 181306851 UNSBXHDCCRWHTG-UHFFFAOYSA-N 373.416 3.669 50 50 FHGA CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 799099 YNXNYRNHACJJJH-YBFXNURJSA-N 370.503 3.605 50 50 FHGA O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccncc1 5670692 UKISANPUAIZPGJ-RGVLZGJSSA-N 352.221 3.698 50 50 FHGA N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccccc1 1187499 VXFOPONAWDDETR-WUXMJOGZSA-N 371.190 3.723 50 50 FHGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(O)cc1 4366420 LJGFSFROBOPXGJ-LGVXEURYSA-N 360.413 3.977 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc2ccccc12 753421 OTHIXQZOICDDAI-LJQANCHMSA-N 365.392 3.899 50 50 FHGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccc(Cl)cc1 6529660 DDOUCUKNKZKWIB-UHFFFAOYSA-N 365.911 3.591 50 50 FHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 831177 BMBBERLWFKEJFS-HZHRSRAPSA-N 374.396 3.678 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 867738 HLNARYLOQQYMHC-CIAFOILYSA-N 368.824 3.893 50 50 FHGA O=C1CCC[C@]2(O)OO[C@]3(C=C12)CC1c2ccccc2C3c2ccccc21 101082287 YCCUIFDICOZDIJ-GZAPNMDCSA-N 360.409 3.736 50 50 FHGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 19879771 BFKPUCYCHZQEER-JGOSEAMUSA-N 355.825 3.792 50 50 FHGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Br)cs1 752543 MMAVVUIKNMQTRY-WPPNPWJKSA-N 365.252 3.571 50 50 FHGA Cc1nc(N)sc1C(=O)N/N=C/c1c(Cl)ccc(Cl)c1Cl 939722 PLXROUFJENBMCU-HAVNEIBRSA-N 363.657 3.758 50 50 FHGA Cc1ccc2cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c(Cl)nc2c1 5795855 MOSFYOZIWZBOCQ-ZVBGSRNCSA-N 367.792 3.689 50 50 FHGA C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc2ccccc12 43763785 ZYPLQZPMBUVVIM-KGENOOAVSA-N 363.373 3.667 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 705860 JAYPSSUHELJFKH-HXUWFJFHSA-N 360.413 3.998 50 50 FHGA C[Si](C)(C)OC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C=C[C@@H]32)[C@H]1C(=O)O[Si](C)(C)C 247534982 QEWRIHXEVMMUJR-VNAATALASA-N 364.590 3.593 50 50 FHGA CC(C)(C)c1noc2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)N2 59897862 IZXKUXGYPZBXMC-LBPRGKRZSA-N 373.254 3.986 50 50 FHGA O=C1OC(=O)[C@@H]2[C@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 169615832 LXGWNCJNLUFEQL-KZTDQWPFSA-N 368.388 3.533 50 50 FHGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCCC1 836630 INERQYJGKZBWEJ-NTCAYCPXSA-N 351.362 3.774 50 50 FHGA N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@H]2[C@H]1c1ccc(Cl)s1 4453597 BYKPRBQZBLKASR-YGRLFVJLSA-N 358.879 3.558 50 50 FHGA O=C(Nc1ccccc1Cl)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104247499 CFLFRWSIMOEBGW-UHFFFAOYSA-N 365.685 3.545 50 50 FHGA O=C(NNC(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1 685824 FOENBPSHZJKMSU-UHFFFAOYSA-N 374.647 3.631 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1O 4566759 PJFFYFMGZXQRPB-RGVLZGJSSA-N 354.797 3.590 50 50 FHGA COc1ccc(/C=N\NC(=O)c2cc3ccccc3cc2OC)cc1OC 32222753 VUNOJNFMLGWPAX-XKZIYDEJSA-N 364.401 3.630 50 50 FHGA CC1=C(C#N)[C@@H](c2ccccc2F)C(C(=O)OCc2ccccc2)=C(N)O1 994154 KQZOKJBISRRLJB-GOSISDBHSA-N 364.376 3.651 50 50 FHGA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CI 100044443 HFCSJMGXADMMTI-UHFFFAOYSA-N 359.957 3.890 50 50 FHGA COc1cccc([C@@H]2C(C#N)=C(N)S[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])c1 13153153 DWDZUKHJSOSLGF-KZNAEPCWSA-N 367.430 3.606 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccc(F)c1 1422114 GFUZAQGMGXMZBR-OAHLLOKOSA-N 350.374 3.619 50 50 FHGA Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1 1090059 USMQXOGECGOLSS-SDNWHVSQSA-N 371.824 3.624 50 50 FHGA Cc1cc2c(c(=O)o1)[C@H](c1ccc(-c3ccccc3)cc1)C(C#N)=C(N)O2 752604 WDYQFBWSAMKFLJ-LJQANCHMSA-N 356.381 3.833 50 50 FHGA C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]2(O)C#N 253500074 VRSHJJXUDZAQKD-LEKSSAKUSA-N 357.494 3.947 50 50 FHGA biogenic O=C(COc1ccccc1Cl)N/N=C/c1ccccc1Br 2584795 CUOSTQUKBFGSHK-GIJQJNRQSA-N 367.630 3.632 50 50 FHGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 752497 XSVRVVXAWCPYIK-PSLIRLAXSA-N 359.223 3.510 50 50 FHGA CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@@H]1c1ccsc1 652212 NHQLSPWJECUOIJ-HNNXBMFYSA-N 352.415 3.530 50 50 FHGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)[nH]n1 4482714 GDODFDLNSYJZER-CIAFOILYSA-N 368.824 3.893 50 50 FHGA C[C@H](c1ccccc1)N(Cc1ccc2c(c1)CCC(=O)N2C)C(=O)CCl 2325893156 XBRUUJUODAMQNT-OAHLLOKOSA-N 370.880 3.924 50 50 FHGA CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)[C@H](F)Cl 2325898430 CCCASWMCLCCUPD-NSHDSACASA-N 360.614 3.875 50 50 FHGA O=C(N/N=C\c1cc(O)ccc1Br)c1ccccc1Cl 32626872 NOSYWJSTEFHSBR-IUXPMGMMSA-N 353.603 3.572 50 50 FHGA C[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1202173 WIMFHPKYBHCUFP-HADWXUJASA-N 362.389 3.699 50 50 FHGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(C)s1 1431757 RBPUSJWFVZZGBX-ZDUSSCGKSA-N 360.460 3.821 50 50 FHGA COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 36748184 ZPLOROPWUUENPJ-IZZDOVSWSA-N 373.752 3.508 50 50 FHGA O=C(NNC(=S)NCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 2142425 DSRAOGTWQQQNCB-UHFFFAOYSA-N 369.277 3.694 50 50 FHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 690782 TVVFIQXLSZUGLZ-KRWDZBQOSA-N 370.884 3.553 50 50 FHGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(F)cc2)[nH]n1 946679 LSGVWKMQBZSTCE-LPYMAVHISA-N 366.396 3.769 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O1 705929 ZLJMANBOWMVHTF-LJQANCHMSA-N 364.376 3.651 50 50 FHGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(C)cc2C)cc1 6400682 NTLLNYPBAQSXAZ-UHFFFAOYSA-N 373.547 3.863 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)C(C#N)=C(N)O1 705923 HTFUQCBXSXHNBW-KRWDZBQOSA-N 352.415 3.573 50 50 FHGA C/C(=N\NC(=O)COc1ccccc1)c1cccc(NC(=O)C(C)(C)C)c1 5612631 VRMZNYCJFXQTEJ-HZHRSRAPSA-N 367.449 3.590 50 50 FHGA Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)Nc2ccc(F)c(Cl)c2)cc1 13322182 JPRSDTJOARMQIK-UONOGXRCSA-N 361.804 3.744 50 50 FHGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 2381363 UTBLYYSZGJQZIJ-UFWORHAWSA-N 370.623 3.736 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1 752515 WAOSBWQJHRFISR-CQSZACIVSA-N 353.205 3.638 50 50 FHGA N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@@H]2[C@@H]1c1ccc(Cl)s1 4453600 BYKPRBQZBLKASR-IINYFYTJSA-N 358.879 3.558 50 50 FHGA COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C 195890505 GDGVOGGJKRMIOF-OLZOCXBDSA-N 359.539 3.559 50 50 FHGA Cc1cccc(NC(=O)NNC(=S)Nc2ccc(F)cc2F)c1C 17072681 UMHYQMBPZGXESI-UHFFFAOYSA-N 350.394 3.605 50 50 FHGA O=C(CNc1ccc(Cl)cc1Br)NN=C1CCCCC1 1230649 OEKGWGGOTXDFLU-UHFFFAOYSA-N 358.667 3.951 50 50 FHGA C=CCOc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799751169 JOAJQFUAAMFXDI-UHFFFAOYSA-N 361.323 3.899 50 50 FHGA CC(C)C[C@H]1C[C@@](C)(c2csc(NNC(=O)c3ccccc3)n2)OC1=O 819892 SUGQVMVKDZYGDL-LIRRHRJNSA-N 373.478 3.724 50 50 FHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)s2)C2=C1CCCC2=O 1445976 DVJQWWQVHJBJJA-QGZVFWFLSA-N 370.522 3.622 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccc(F)c1 718317 SSTTZJHBVVRJTG-XIKOKIGWSA-N 350.349 3.627 50 50 FHGA Cc1cc(-c2n[nH]c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)c(C)s1 5490411 NOGWYDQDPPVXRE-OAHLLOKOSA-N 364.430 3.679 50 50 FHGA Cc1cccc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CCCC3=O)c1 705451 CYVZXTSKMMEVMT-HXUWFJFHSA-N 356.429 3.695 50 50 FHGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc(F)cc3)[nH]n2)c1 5319118 BDINXBJJAJEPSK-LPYMAVHISA-N 366.396 3.769 50 50 FHGA O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1228728 KFPYOKZJYMQCAQ-RTWAWAEBSA-N 356.425 3.918 50 50 FHGA O=C(CCc1ccccc1)NNC(=S)Nc1cc(Cl)ccc1Cl 6829455 PNCDRRFENAXKBH-UHFFFAOYSA-N 368.289 3.944 50 50 FHGA CC[C@@H](NC(=O)[C@H](C)Cl)c1noc(-c2cccc(Br)c2)n1 1875363999 HDLVMWROLRYHCR-GZMMTYOYSA-N 372.650 3.694 50 50 FHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccncc1 102294879 YHFWJLOIDLTGNF-XQNSMLJCSA-N 360.502 3.569 50 50 FHGA Cc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 939545 MXGBIANZAWICKC-LLVKDONJSA-N 367.232 3.530 50 50 FHGA C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccco2)cc1 5019876 QBBNWURZGCQHDM-MTJSOVHGSA-N 351.362 3.587 50 50 FHGA Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 788187 UKRCSKFWRKQBJO-NRFANRHFSA-N 370.452 3.762 50 50 FHGA COc1cc(OC)cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 629530 PHRIDSMPMOCOQD-LJQANCHMSA-N 352.434 3.831 50 50 FHGA O=C(O)[C@@H](Br)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100434442 PKGVWUJFDWNKFJ-RDLSHOLPSA-N 352.066 3.568 50 50 FHGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)n1 1192061 HCQMFYWAUPYNLE-CNHKJKLMSA-N 369.277 3.643 50 50 FHGA O=C(N/N=C\N1CCCc2ccccc21)Nc1cccc(Br)c1 33697225 QTRCJKWXXPVUOQ-UNOMPAQXSA-N 373.254 3.967 50 50 FHGA C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1ccccc1F 8219251 RALKSAHBNMWIBC-ZDUSSCGKSA-N 367.380 3.599 50 50 FHGA O=C(N/N=C\c1cc(Br)ccc1O)c1ccc(Cl)s1 17074163 HSHSEDDXMJEROJ-UUASQNMZSA-N 359.632 3.634 50 50 FHGA O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 772626163 CQNNPEUVHAJJEW-QHAWAJNXSA-N 371.440 3.512 50 50 FHGA C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 4372779 CEGJQZDQZAYDQG-HADWXUJASA-N 358.825 3.822 50 50 FHGA Cc1ccc(NCC(=O)N/N=C\C(Br)=C\c2ccccc2)cc1 4739494 DWCOIGMVUKIFQY-UZNBDGRHSA-N 372.266 3.945 50 50 FHGA O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1CC1(c1ccccc1)c1ccccc1 779645 QHSNVIIXLAPFMZ-UDIPQKBFSA-N 372.424 3.554 50 50 FHGA Cc1ccc(C(=O)NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1 1386909 IQNJJKQVUBITSI-UHFFFAOYSA-N 363.442 3.776 50 50 FHGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C)cc3)[nH]n2)cc1 5126058 ICNLMTMMASISMH-PXLXIMEGSA-N 362.433 3.938 50 50 FHGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(Cl)s1 2857255 XFTMGHRJFWBTKZ-UHFFFAOYSA-N 360.222 3.530 50 50 FHGA Cc1ccccc1[C@@H](OC(N)=O)P(=O)(OCCCl)OCCCl 107521762 KXQGBSDAUYPNAR-LBPRGKRZSA-N 370.169 3.793 50 50 FHGA CC(C)(C)c1[nH]nc2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 5125957 FZOAXUCXDQGNNQ-GFCCVEGCSA-N 362.355 3.944 50 50 FHGA O=C(NNC(=O)c1cccc(Br)c1)Nc1ccc(Cl)cc1 671670 HVVLYHKZESGBJF-UHFFFAOYSA-N 368.618 3.569 50 50 FHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(C(F)(F)F)c1 753426 GVINXTXGDDSXFQ-QGZVFWFLSA-N 359.351 3.990 50 50 FHGA O=C(COc1ccccc1Cl)N/N=C/c1cccc(Br)c1 2566843 GWXYZSGVDMQRJV-GIJQJNRQSA-N 367.630 3.632 50 50 FHGA Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)Nc1ccccc1 2762523 VVHBVXJAFOCWHR-UHFFFAOYSA-N 370.796 3.770 50 50 FHGA O=C(N/N=C/c1cccc(O)c1)[C@H]1CC1(c1ccccc1)c1ccccc1 1228049 PTOPZLVEIYTXNO-KCOUNZPASA-N 356.425 3.849 50 50 FHGA COC(=O)[C@H]1C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H]([C@H](C)O)[C@H]12 169833766 DHSFANSVVLOSMA-ZBKXOCMDSA-N 356.579 3.983 50 50 FHGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(C)c2C)C(C#N)=C(N)O1 1227856 STMNRNURLSNFTL-GOSISDBHSA-N 370.449 3.737 50 50 FHGA O=C(N/N=C/c1ccc(F)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 4311183 LZSUDFQTXYZVFA-FSJBWODESA-N 366.440 3.781 50 50 FHGA CC(C)N(Cc1ccc(NC(=O)[C@H](F)Cl)cc1)C[C@H]1CCCCO1 2325898391 ABQSKSBQSVSYNJ-SJORKVTESA-N 356.869 3.939 50 50 FHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 2172241 PUQNAWAZPIXDAN-UFWORHAWSA-N 370.623 3.736 50 50 FHGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2521938 DEVVYKKLEIFJOD-KCHOUBKZSA-N 362.216 3.747 50 50 FHGA CC[C@@H](NC(=O)[C@@H](C)Cl)c1noc(-c2cccc(Br)c2)n1 1875364002 HDLVMWROLRYHCR-LDYMZIIASA-N 372.650 3.694 50 50 FHGA COc1ccc(OC)c([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 632724 HSIHXNPSRUGFDS-LJQANCHMSA-N 352.434 3.831 50 50 FHGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 4248297 QSJIBXBGQSLKPG-IBGZPJMESA-N 372.428 3.749 50 50 FHGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CCCC3=O)cc1 1057135 WNKGBHXZXXNZNN-HXUWFJFHSA-N 356.429 3.695 50 50 FHGA COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl 30774233 SPPJYRDMYGKUDV-NVMNQCDNSA-N 367.630 3.875 50 50 FHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 8378765 JPSYJRZUTIMFFD-UFWORHAWSA-N 369.711 3.614 50 50 FHGA C[C@@H](Br)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 43808068 WTPXMCDQDPDRBU-LLVKDONJSA-N 354.207 3.713 50 50 FHGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 855594 QYCRESVYGTXCJX-FYJGNVAPSA-N 362.389 3.766 50 50 FHGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 860085 ZQOGISVGJXZUKM-FQEVSTJZSA-N 372.428 3.798 50 50 FHGA O=C(CBr)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2556761 VYYHFSBVBDFTML-UHFFFAOYSA-N 352.615 3.904 50 50 FHGA in-vitro C[C@H](Cl)C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 1875363703 SLTVBFDQSLBMAI-LBPRGKRZSA-N 362.823 3.756 50 50 FHGA Cc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 939554 QPHUXNCRBNZXHD-LLVKDONJSA-N 367.232 3.530 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccccc1O 4953944 TZOACFHHPOYRTC-RGVLZGJSSA-N 354.797 3.590 50 50 FHGA CCOc1cc(C=NNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)ccc1O 252679104 HXJAIYPOVGPKRG-XHDPSFHLSA-N 371.264 3.832 50 50 FHGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1 1216380 OAMKMYZZFMHWEW-VCHYOVAHSA-N 351.631 3.795 50 50 FHGA CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccc(C)cc2)oc1N(C)C 3200505 FCVQKLZQLQBMSV-SANMLTNESA-N 370.389 3.981 50 50 FHGA COc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c(OC)c1 100195017 WTMBXRSWDAQTND-CHHVJCJISA-N 358.401 3.712 50 50 FHGA N#C/C(=C(\N)S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101122941 MWQWPEKZLYNPJU-MRCUWXFGSA-O 361.430 3.562 50 50 FHGA Cc1nn(C)c(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c1Cl 675967 FUMILQHFHGYMFE-CIAFOILYSA-N 352.825 3.813 50 50 FHGA N#C/C(C(=O)c1ccc(Cl)cc1Cl)=C1/NC(=O)c2ccccc2N1 100434768 SESYPWCSIZUIAS-VBKFSLOCSA-N 358.184 3.767 50 50 FHGA in-vitro Cc1cccc(NC(=O)NNC(=O)c2ccc(OCC(C)C)cc2)c1C 5041419 DECWQHBGDGBAPW-UHFFFAOYSA-N 355.438 3.805 50 50 FHGA CCOC(=O)[C@H]1C[C@@H](Sc2ccccc2)[C@@H](Cl)C[C@H]1C(=O)OCC 230065143 AUTVLJMYUKTMEB-FXUDXRNXSA-N 370.898 3.907 50 50 FHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 2544072 YDHODOJIKGZMDN-KEBDBYFISA-N 364.232 3.645 50 50 FHGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccc(Cl)cc1 4889212 WNUUQGMEGIPRTM-CIAFOILYSA-N 372.881 3.859 50 50 FHGA O=C1OC(=O)[C@]23Cc4ccccc4C[C@]12C[C@@H]1Cc2ccccc2C[C@@H]1C3 100971986 IQIBRSZRBYIBNJ-GKIBHXGMSA-N 358.437 3.666 50 50 FHGA COc1ccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1OC 2383001 KTZFMSWYHRTWCF-SRZZPIQSSA-N 369.808 3.669 50 50 FHGA O=C(CNc1ccc2ccccc2c1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1 2824717 YANLGYGLBKSIBN-KUZNRIHWSA-N 374.400 3.975 50 50 FHGA Cc1cccc(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CCCC3=O)c1 705450 CYVZXTSKMMEVMT-FQEVSTJZSA-N 356.429 3.695 50 50 FHGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2 5125859 MUXDVRDGWGPSCU-FSJBWODESA-N 369.428 3.729 50 50 FHGA COc1cccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)c1 5353070 GDRGFXRISMOFEO-WSDLNYQXSA-N 373.416 3.639 50 50 FHGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1cccc2ccccc12 2568395 BFBZELQDXJDHRZ-CIAFOILYSA-N 351.793 3.582 50 50 FHGA O=C1c2ccccc2C[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]12 101812085 GPSVPJIXKBATCI-IXOXFDKPSA-N 358.073 3.979 50 50 FHGA CC(=O)N1CCCc2cc(C(=O)NNc3nc4ccccc4cc3C)ccc21 1875257502 VYJYKNNYOBAYEC-UHFFFAOYSA-N 374.444 3.599 50 50 FHGA Cc1ccc2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)nc2c1 725623 OPQHNFFKGPRYES-KEBDBYFISA-N 368.780 3.869 50 50 FHGA CCCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 2484175 QPCYGXDSRIZCIM-GOSISDBHSA-N 352.434 3.926 50 50 FHGA Cc1cccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1 1002218 QASJTKRTZNFFPH-UHFFFAOYSA-N 368.220 3.534 50 50 FHGA Cc1ccc(COc2ccccc2[C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 5409096 REZQDPJUZQKSIR-HXUWFJFHSA-N 372.428 3.824 50 50 FHGA C[C@]12CCC3(CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#N)OCCO3 253527962 VRSHJJXUDZAQKD-ZVZGYBOSSA-N 357.494 3.947 50 50 FHGA CCc1ccccc1NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 2793575 UDADUPVCYJRENR-DLBZAZTESA-N 353.491 3.679 50 50 FHGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1 1474847 GXIWWMVCTOEXLT-VCHYOVAHSA-N 357.460 3.547 50 50 FHGA CCCN(CCC)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2749763 XWVFTEYRXPIAKV-RCCKNPSSSA-N 368.437 3.985 50 50 FHGA COC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc3c(c2)CCC3)c1 17074734 UYUDXJVFMYGHFJ-ZDLGFXPLSA-N 363.413 3.843 50 50 FHGA CC(C)(C)c1[nH]nc2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 5130444 DUMBEZRCZZCZLR-GFCCVEGCSA-N 373.254 3.688 50 50 FHGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1C1CCCCC1 6648841 XLUWLALVFQUZHQ-QGZVFWFLSA-N 352.434 3.881 50 50 FHGA O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc(-c2cccs2)n[nH]1 5126153 QGWWIXDEPKMBNQ-AWQFTUOYSA-N 364.352 3.921 50 50 FHGA O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cn2cccn2)o1 32573602 SKTMIRUYTOKZQC-OCKHKDLRSA-N 363.204 3.595 50 50 FHGA COc1cc(C(=O)N/N=C(C)/C=C/c2ccccc2)cc(OC)c1OC 4956235 RVTSCQRWSIDRJL-QQQPHYRHSA-N 354.406 3.532 50 50 FHGA Cc1ccccc1NC(=S)NNC(=O)c1csc2c1CC[C@H](C)C2 8581800 WYGLDQSIGUKXSP-NSHDSACASA-N 359.520 3.813 50 50 FHGA Cc1ccc(C(=O)NN(C)c2nc3ccccc3nc2C(F)(F)F)cc1 5413312 GTPQSIHDXAVGOC-UHFFFAOYSA-N 360.339 3.738 50 50 FHGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2)n[nH]1 1050817 FPRBAWWIIFCNIV-SSDVNMTOSA-N 363.808 3.975 50 50 FHGA C/C(=N\NC(=O)c1ccccn1)c1cccc(NC(=O)c2cccc(C)c2)c1 17076238 OOYOJYJHDYFPCM-PCLIKHOPSA-N 372.428 3.796 50 50 FHGA O=C(NNC(=S)Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 13555157 NURLVWCSCJBVNO-CABCVRRESA-N 363.845 3.600 50 50 FHGA C[C@H](NC(=S)NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 6851134 LSCYTACOHRNVNY-HILYYZTDSA-N 371.550 3.849 50 50 FHGA C=CCc1cccc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1O 1213806 SRQXONQWOGHRFF-XMOVILSBSA-N 358.825 3.692 50 50 FHGA C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@]2(O)C#N 118913601 VRSHJJXUDZAQKD-CEGNMAFCSA-N 357.494 3.947 50 50 FHGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Cl)c2)C2=C1CC(C)(C)CC2=O 1080059 JCAPVZXALOBVAS-KRWDZBQOSA-N 370.884 3.553 50 50 FHGA CCN(C(=O)CCl)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 261507840 MUWQXQMIHCLXHK-UHFFFAOYSA-N 363.685 3.591 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl 728126 HURKNJZVTMANSN-ZDUSSCGKSA-N 353.205 3.638 50 50 FHGA C[Si](C)(CCl)c1c(F)c(F)c([Si](C)(C)CCl)c(F)c1F 169816750 VFICWMQKEZLJHC-UHFFFAOYSA-N 363.330 3.630 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccsc2)C(C#N)=C(N)O1 705931 ZEHTUBUZWUKNAN-QGZVFWFLSA-N 352.415 3.573 50 50 FHGA Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)cc1 1196591 RAWXKEWVEIJKAV-SRKIZSPNSA-N 363.461 3.605 50 50 FHGA Cc1ccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)cc1C 6401088 HCUWZWRXXKGFEQ-UHFFFAOYSA-N 365.861 3.656 50 50 FHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 5677167 MFCBEGSLMZRSBL-CYGNYLSHSA-N 373.840 3.628 50 50 FHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1cccnc1 2546773 QZRQTIZWHOTRKO-LPYMAVHISA-N 373.441 3.760 50 50 FHGA COc1ccccc1NC(=O)/C(C#N)=C/c1coc2ccc(C)cc2c1=O 2743815 FYAPOQBSMSQKHP-GXDHUFHOSA-N 360.369 3.656 50 50 FHGA C=C[C@@H](C)[C@H](OCOCCOC)[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C 169834741 UGVCPSIRACZBEB-NCOADZHNSA-N 360.567 3.603 50 50 FHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(N)cc3)cc2)c1 2325809482 AJJXRIOAUIJHEW-ZVHZXABRSA-N 373.412 3.560 50 50 FHGA COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1Br 947063 BHBDMYIMKORVTC-GIJQJNRQSA-N 367.630 3.875 50 50 FHGA COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1nc2ccccc2[nH]1 4756137 RFBFSUNULODRQU-GHXNOFRVSA-N 350.334 3.552 50 50 FHGA CCc1ccc(NC(=S)NNC(=O)CSCc2ccccc2)cc1 6283933 WKKIEZJHUACARF-UHFFFAOYSA-N 359.520 3.500 50 50 FHGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1csc2c1CCCC2 667332 OKXBVODUTQDIFZ-QGMBQPNBSA-N 363.826 3.952 50 50 FHGA Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1 6492287 VUFGGALIONUSTC-MRXNPFEDSA-N 364.430 3.822 50 50 FHGA CCc1ccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4209646 UDLVRBSOEAEVPE-WSDLNYQXSA-N 367.836 3.980 50 50 FHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 623079 IATUWHXKLLWPJN-OAHLLOKOSA-N 373.250 3.900 50 50 FHGA O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cncc(Br)c1 22343337 ZFHSLXJSMHIRGS-FXBPXSCXSA-N 373.037 3.915 50 50 FHGA Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3cccnc3)cc12 793969 FEYXGRSRXBLMFM-CIAFOILYSA-N 361.430 3.554 50 50 FHGA C[C@@H](Cl)C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 1875380552 RUDJNKQTMHRICO-XLIONFOSSA-N 371.912 3.702 50 50 FHGA O=C(CI)c1ccc(C(=O)c2ccccc2)cc1 2387177 VHABLLAGXVCOGA-UHFFFAOYSA-N 350.155 3.535 50 50 FHGA CCOc1ccc(/C=N/NC(=O)c2ccc(Br)s2)cc1 669139 RJLUGYLSYLXMQE-CXUHLZMHSA-N 353.241 3.673 50 50 FHGA Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cnc(N2CCCC2)nc1 207694770 NRTPBXVYZQAMNG-DHDCSXOGSA-N 367.840 3.584 50 50 FHGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(-c3ccccc3)cc1)C(C#N)=C(N)O2 752603 WDYQFBWSAMKFLJ-IBGZPJMESA-N 356.381 3.833 50 50 FHGA CC(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1 843954 WYSLAURGSXYYBM-UHFFFAOYSA-N 357.211 3.522 50 50 FHGA O=C(NNC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 2167811 IWCQXMZZUZIZRU-UHFFFAOYSA-N 357.719 3.825 50 50 FHGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(C)c2C)C(C#N)=C(N)O1 1227855 STMNRNURLSNFTL-SFHVURJKSA-N 370.449 3.737 50 50 FHGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1C 43761065 QSPLLYWCJAMWHU-PZHMZNBSSA-N 355.825 3.792 50 50 FHGA COc1ccc(Br)cc1[C@H]1C(C#N)=C(C)NC2=C1C(=O)CCC2 637021 UKRRJICUTQOXHA-KRWDZBQOSA-N 373.250 3.949 50 50 FHGA CCCN(CCC)c1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1 32626855 DQABXTDQEPRKRV-HMAPJEAMSA-N 367.449 3.806 50 50 FHGA N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Br)c1 5074129 MZUZBZGRDYZGEU-JYRVWZFOSA-N 371.190 3.693 50 50 FHGA N#Cc1ccc(NNC(=O)c2cc(O)ccc2Cl)c(C(F)(F)F)c1 811492981 CWHPNERNYMAXAF-UHFFFAOYSA-N 355.703 3.693 50 50 FHGA Cc1cc(OC(C)(C)C(=O)N/N=C/c2ccc3c(c2)OCO3)ccc1Cl 6825947 ORJRPRBCPGFMHR-UFFVCSGVSA-N 374.824 3.685 50 50 FHGA O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1)NC1CCCCC1 14027921 KNRKAQMZAQLJQG-UHFFFAOYSA-N 367.449 3.542 50 50 FHGA N#CC1(C#N)[C@@H]2C[C@@H]([C@H](Cl)[C@@H]2Cl)C1(C(F)(F)F)C(F)(F)F 95832174 NTESZNJQNKSALM-UCROKIRRSA-N 351.077 3.995 50 50 FHGA Cc1ccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 1228094 LGVKMNIAKCOCMN-SRZZPIQSSA-N 353.809 3.726 50 50 FHGA COc1cccc([C@@H](CNC(=O)CCl)c2c[nH]c3ccccc23)c1OC 1341509615 JYDOAPDBGFBKKG-MRXNPFEDSA-N 372.852 3.672 50 50 FHGA O=C(Cc1ccccc1)N/N=C/c1c[nH]c2ccc(Br)cc12 1192939 CYVCFWYSSJDLEE-RGVLZGJSSA-N 356.223 3.623 50 50 FHGA O=C(N/N=C\c1cccc2ccccc12)c1cncc(Br)c1 4459474 YZNDMOZUBYHJTK-JMIUGGIZSA-N 354.207 3.761 50 50 FHGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(O)cc1 16136975 XFJQTEFOVOSETP-YBFXNURJSA-N 357.460 3.634 50 50 FHGA O=C(O)C1(P(=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 17356996 CNZOEVNWHMYVSE-UHFFFAOYSA-N 355.157 3.925 50 50 FHGA CN(C)c1cccc(C(=O)N/N=C/c2cc(Cl)c(O)cc2Cl)c1 1875264392 UFEQHCYZGMFVEZ-DJKKODMXSA-N 352.221 3.529 50 50 FHGA Cc1nn(C)c(NC(=O)NNc2ccc(F)c(F)c2)c1-c1ccccc1 1875304091 ZQXXINAAHXEVFQ-UHFFFAOYSA-N 357.364 3.822 50 50 FHGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)O)=C(C#N)[C@@H]2c1ccccc1 1248418 OQSHKIPBLGKGGN-KRWDZBQOSA-N 368.458 3.570 50 50 FHGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)O)=C(C#N)[C@H]2c1ccccc1 1248419 OQSHKIPBLGKGGN-QGZVFWFLSA-N 368.458 3.570 50 50 FHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CC[C@]34O[C@H]3C(=O)CC[C@@]14C[C@@H]1O[C@H]1C2 257359269 ZIIMGLGIENRQEF-QYVIUVFXSA-N 364.558 3.835 50 50 FHGA CC(C)N(Cc1ccc(NC(=O)[C@H](F)Cl)cc1)C[C@@H]1CCCCO1 2325898390 ABQSKSBQSVSYNJ-IRXDYDNUSA-N 356.869 3.939 50 50 FHGA CCCc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccccc2)cc1 5672052 ZGXUEZXYDUFYQY-XQNSMLJCSA-N 367.449 3.539 50 50 FHGA CC(/C=C/c1ccccc1)=N\NC(=O)CNC(=O)c1cccc2ccccc12 25504534 PNMDUWYLWDLVRD-QAWWPKJNSA-N 371.440 3.775 50 50 FHGA Cc1cc(C)n(-c2ccc(CNC(=O)[C@H](C)Cl)c(C(F)(F)F)c2)n1 1875364925 YEIXARYMAGBFKI-NSHDSACASA-N 359.779 3.751 50 50 FHGA Cc1nn(C)cc1/C=N/NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 6413268 IPQUZZIMBUULDD-IOVUBPJKSA-N 364.474 3.712 50 50 FHGA O=C(Cn1cc(Cl)c2cc(C(F)(F)F)cnc21)NNc1ccccc1 263639815 KCJVDMGFORJZCJ-UHFFFAOYSA-N 368.746 3.852 50 50 FHGA CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1 2907533 LXZUEDQXYOUNKJ-SLDJAQPHSA-N 372.494 3.513 50 50 FHGA CN(C)/C=C(\C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100472478 FXRZEWOCYXPWDV-FCDQGJHFSA-N 357.417 3.907 50 50 FHGA COc1ccccc1NC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 8169331 ADNMRWKIOKPZFN-UHFFFAOYSA-N 361.401 3.829 50 50 FHGA CC(C)(C)OC(=O)NN=Cc1cccc(OC(=O)/C=C/c2ccco2)c1 252678866 GWYPAWZQJIFVDB-DCTYYEGTSA-N 356.378 3.757 50 50 FHGA COc1cccc(/C=N/NC(=O)[C@H](C)Nc2cccc3ccccc23)c1O 1204417 LTXIQEIVFOBIDV-KOUDTOEKSA-N 363.417 3.505 50 50 FHGA COc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1 2325809662 VHYDRCKIPZAAGW-HZHRSRAPSA-N 374.396 3.678 50 50 FHGA Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1 8685687 QRJKLUZVWNTEEP-CVEARBPZSA-N 359.882 3.770 50 50 FHGA O=C(O)[C@@H]1C[C@H](Cl)CN1C(=O)OCC1c2ccccc2-c2ccccc21 710002786 FMTZZERMZHVPFB-SGTLLEGYSA-N 371.820 3.702 50 50 FHGA CCOC(=O)/C(C#N)=C(\O)c1ccc(NC(=O)c2ccccc2Cl)cc1 100501733 QVGZXUVNUWMUEP-ICFOKQHNSA-N 370.792 3.948 50 50 FHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(C(F)(F)F)cc1 756354 YDAZTARLUNHXAX-CQSZACIVSA-N 366.339 3.740 50 50 FHGA COc1ccc([C@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1 850183 SAGWJOHJTFYXJF-SFHVURJKSA-N 358.426 3.834 50 50 FHGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3cccs3)c2C)cc1 5296168 RBUSDORXHAIFDW-YBFXNURJSA-N 354.435 3.609 50 50 FHGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)cc1 6187280 BXCSVOFCTCWKAR-VXLYETTFSA-N 374.853 3.954 50 50 FHGA CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)[C@@H](F)Cl 2325898429 CCCASWMCLCCUPD-LLVKDONJSA-N 360.614 3.875 50 50 FHGA N#C/C(=C\c1ccc(Br)cc1)C(=O)NCCc1ccccc1 1185403 ILDITQKFRCUEFA-FOWTUZBSSA-N 355.235 3.715 50 50 FHGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc1 4355671 CDPJNQLNVQWKHB-PXLXIMEGSA-N 367.449 3.517 50 50 FHGA N#Cc1ccc(NNC(=O)c2c(F)cc(F)cc2F)c(C(F)(F)F)c1 799751649 QSTXWDHRWVCOIZ-UHFFFAOYSA-N 359.229 3.751 50 50 FHGA CC(=O)N(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccco1 1204063 XGZXJULCFGCACD-UHFFFAOYSA-N 367.385 3.642 50 50 FHGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 2884735 PNWKCNCQHLOQCW-UHFFFAOYSA-N 373.840 3.544 50 50 FHGA CCCCOc1ccc(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)cc1 2852673 DUSAEEMGRCQNCP-HNNXBMFYSA-N 371.506 3.736 50 50 FHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CC[C@]34O[C@H]3C(=O)CC[C@@]14C[C@@H]1O[C@@H]1C2 257359268 ZIIMGLGIENRQEF-QYBQCNLOSA-N 364.558 3.835 50 50 FHGA O=C(Cl)c1cc(Br)c(C(=O)Cl)cc1Br 115452313 POSQGFWJUAQFMQ-UHFFFAOYSA-N 360.816 3.970 50 50 FHGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccncc1 1215709 RQIKMGSLJCNQFU-RGVLZGJSSA-N 370.206 3.868 50 50 FHGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccccc2C)c(C)c1 6400365 UTQGNVZUBRDUBJ-UHFFFAOYSA-N 373.547 3.863 50 50 FHGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CCCC3=O)cc1 713317 IUEWFZZWWCIBGN-OAQYLSRUSA-N 371.440 4.000 50 50 FHGA C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2ccco2)c1 5020971 XAZHYSONHZZSNW-YDZHTSKRSA-N 365.364 3.825 50 50 FHGA Cc1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 1001903 VPYBKGDBNOYRKD-OAHLLOKOSA-N 354.450 3.521 50 50 FHGA O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CC=CC[C@H]1C(=O)O 6219633 LJSZSQVPHABSGJ-DTWKUNHWSA-N 363.628 3.757 50 50 FHGA COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CCCCl)cc1 3883402 OKUZYLRANRUHLW-ROUUACIJSA-N 373.836 3.689 50 50 FHGA O=C(O)CCSSCCNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 1875388890 UNVKBWHEGMMGST-JKSUJKDBSA-N 367.536 3.618 50 50 FHGA C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 1200761 PFIVUVPFOSVBPJ-FFSVQTDXSA-N 361.445 3.679 50 50 FHGA CCOC(=O)[C@@H]1C[C@H](Cl)[C@@H](Sc2ccccc2)C[C@H]1C(=O)OCC 254702792 AUTVLJMYUKTMEB-WCVJEAGWSA-N 370.898 3.907 50 50 FHGA CCc1ccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)cc1 6394778 FBRORAFJTKAXCJ-UHFFFAOYSA-N 365.861 3.602 50 50 FHGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1O 2379728 HLLJUFDZJAKRTQ-DJKKODMXSA-N 353.205 3.862 50 50 FHGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc(Br)ccc1O 1193839 JKBGHXQSICMPMG-CAOOACKPSA-N 353.603 3.572 50 50 FHGA Cc1ccc(NNC(=O)C2(C)CCN(c3ccncc3)CC2)c(Cl)c1 1875268737 BQHGXNLAPSSABL-UHFFFAOYSA-N 358.873 3.793 50 50 FHGA COc1ccc(CCN(Cc2ccsc2)C(=O)[C@@H](C)Cl)cc1OC 1875364289 NICHDHHNLSRDMD-CYBMUJFWSA-N 367.898 3.964 50 50 FHGA C/C(=N/NC(=O)[C@@H](C)Nc1ccccc1)c1ccc(Br)cc1 230141616 WPFFRMHORHGYRE-UAAGNOOKSA-N 360.255 3.790 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)[nH]n2)cc1 4482710 TWHWZTAVLMKNNL-CIAFOILYSA-N 368.824 3.893 50 50 FHGA COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](F)Cl)CCN2C(=O)OC(C)(C)C 2325898266 YQRPKUSLRIGMAB-GXTWGEPZSA-N 372.824 3.532 50 50 FHGA C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CBr 126687034 VHIWKIUMIUWENS-ZETCQYMHSA-N 361.088 3.668 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(CC)cc2)n[nH]1 867850 VNECMQVRHZGSSQ-HYARGMPZSA-N 362.433 3.802 50 50 FHGA O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)[C@H](O)c1ccccc1 4996791 AWGHVJVAQRKEIR-DVUKPTEKSA-N 374.400 3.991 50 50 FHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1cccs1 4258892 RLKWVGLAEOGCPK-CIAFOILYSA-N 368.389 3.870 50 50 FHGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1cccc2ccccc12 2544162 HTPUEJHJXYMTDX-CPXQZVORSA-N 357.413 3.984 50 50 FHGA CCc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)s1 1144739 HPIQJOAJEJCMDA-KRWDZBQOSA-N 370.522 3.523 50 50 FHGA COc1ccccc1[C@H]1CC(=O)NC(SCc2ccccc2)=C1C#N 706664 HIRHNJSMJWDDON-MRXNPFEDSA-N 350.443 3.967 50 50 FHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1 5676588 MFCBEGSLMZRSBL-KOUDTOEKSA-N 373.840 3.628 50 50 FHGA CS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 263639704 FEHQFMVJDHQVJB-RIYZIHGNSA-N 352.337 3.676 50 50 FHGA CCC(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799749631 WNDPEKJJKRXHSA-UHFFFAOYSA-N 361.323 3.927 50 50 FHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 4261289 JNFAVJIQOHJVFR-OEAKJJBVSA-N 374.396 3.684 50 50 FHGA C=CCc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c1O 3903128 POBKLHCGDVJOEB-LPYMAVHISA-N 360.417 3.583 50 50 FHGA C[C@@]12CCC3(CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#N)OCCO3 253527961 VRSHJJXUDZAQKD-WSBLSWJJSA-N 357.494 3.947 50 50 FHGA CC(C)Oc1ccc(/C=N\NC(=O)c2ccc(Br)o2)cc1 32573490 DGIVWEXEHYPVGX-MFOYZWKCSA-N 351.200 3.593 50 50 FHGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(CC)cc3)[nH]n2)c1 946240 QPJWEBSQXPKDAA-HYARGMPZSA-N 362.433 3.802 50 50 FHGA C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 4372780 CEGJQZDQZAYDQG-CNRHGSOZSA-N 358.825 3.822 50 50 FHGA CCCCOc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 2388557 FYIBPDVGCIYQQK-KGENOOAVSA-N 356.422 3.647 50 50 FHGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 4366720 JOZDNLZYPDXDDT-HJBKSLHUSA-N 353.378 3.568 50 50 FHGA Cc1ccc(COc2ccc(/C=N/NC(=O)CN3CCCCC3)cc2)cc1 1209380 WVEJGTAYWOEDJV-HZHRSRAPSA-N 365.477 3.510 50 50 FHGA Cc1ccsc1C(=O)NNC(=S)Nc1ccccc1C(F)(F)F 2851169 KHIWULYZGVFSIS-UHFFFAOYSA-N 359.398 3.707 50 50 FHGA O=C(Oc1ccc(/C=N/NC(=O)C2CCCCC2)cc1)c1ccccc1 2505899 HCRIEAKDKHHLNU-PXLXIMEGSA-N 350.418 3.936 50 50 FHGA CCOc1cc(C=NNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)ccc1O 252678948 HXJAIYPOVGPKRG-ABAIWWIYSA-N 371.264 3.832 50 50 FHGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc2cccnc12 1211210 KFOQOBMXYIOTRS-ZVHZXABRSA-N 355.397 3.917 50 50 FHGA CC(C)(C)OC(=O)n1cc(/C=N/NC(=O)c2ccco2)c2ccccc21 1396181 IAIZMRPUKQAUML-RGVLZGJSSA-N 353.378 3.781 50 50 FHGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1233671 HLJWHIOJIULYPQ-HADWXUJASA-N 363.373 3.666 50 50 FHGA CCc1ccccc1NC(=S)NNC(=O)[C@H]1C[C@H]1c1ccc(C)cc1 2793574 UDADUPVCYJRENR-IRXDYDNUSA-N 353.491 3.679 50 50 FHGA O=C(N/N=C/c1cccc(Cl)c1)c1n[nH]c2c1CCc1ccccc1-2 5072515 BVMZLZFBCCNLDS-SRZZPIQSSA-N 350.809 3.593 50 50 FHGA COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 2521755 VSTQNVIBOWQOCX-DJKKODMXSA-N 353.205 3.531 50 50 FHGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F 2165558 JTPCZBJZAMJCDY-UHFFFAOYSA-N 360.147 3.738 50 50 FHGA CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCl)[C@@H](c2ccccc2)CC1 1875376938 NSDHJWWYHWXMED-CVEARBPZSA-N 366.889 3.525 50 50 FHGA O=C(N/N=C/c1cccc(O)c1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1228047 PTOPZLVEIYTXNO-DOZBRYHWSA-N 356.425 3.849 50 50 FHGA CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OCC)C(C#N)=C(N)O1 1227796 DNNFNQPAVFNCKR-KRWDZBQOSA-N 356.422 3.510 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc(F)c(F)c1 1432413 UEDQYGGIFBNTPQ-OAHLLOKOSA-N 368.364 3.758 50 50 FHGA CCCc1cc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cs1 2785402 FSKJBYWEHWWWKH-CNHKJKLMSA-N 350.827 3.847 50 50 FHGA C/C(=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccc(C)cc1 13147085 UMAUXZKEVNHXJA-HYARGMPZSA-N 357.841 3.908 50 50 FHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3)[nH]n2)cc1 5297747 YTCWCXNUUOOBCP-CIAFOILYSA-N 368.824 3.893 50 50 FHGA CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C(\C)c3ccc(O)cc3)c2C1 5402564 MYASFQLHQZBDBV-NSMHLIOHSA-N 368.481 3.810 50 50 FHGA O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1228726 KFPYOKZJYMQCAQ-SFTDATJTSA-N 356.425 3.918 50 50 FHGA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H](Cl)[C@@H]2Cl 101137103 HVDYUTDWJCDTJP-KJQSODDZSA-N 360.879 3.862 50 50 FHGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 245226604 GMECDSONWHNXFI-IYRPKICHSA-N 366.417 3.921 50 50 FHGA C/C(O)=C(\C#N)C(=O)Nc1cc(Br)ccc1Br 37868487 UVSVTDVJQAJIFG-VURMDHGXSA-N 360.005 3.506 50 50 FHGA in-vivo C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Br)s1 752513 KKXSNSFABZGPSJ-UHLUBPPHSA-N 365.252 3.571 50 50 FHGA O=C(N/N=C\c1cccnc1)c1ccc(COc2ccc3c(c2)CCC3)o1 30860462 YYXDUMSMYYMJPR-QRVIBDJDSA-N 361.401 3.506 50 50 FHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CC[C@@]34O[C@@H]3C(=O)CC[C@@]14C[C@H]1O[C@H]1C2 257359270 ZIIMGLGIENRQEF-QZIKSMLMSA-N 364.558 3.835 50 50 FHGA CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1O 13943552 FOPPVNPXOVWATP-GHXNOFRVSA-N 350.334 3.640 50 50 FHGA COc1cc(C(=O)N/N=C/C(C)=C\c2ccccc2)cc(OC)c1OC 3576353 KSVAHSMLAGNPPK-CWQIKWSSSA-N 354.406 3.532 50 50 FHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccnc1 102294605 CBJZMEXCERDOKX-XQNSMLJCSA-N 360.502 3.569 50 50 FHGA O=C(CCl)N[C@H](c1ccc2c(c1)OCCCO2)c1ccccc1Cl 1875384940 YVSDQTXEMQQYJK-GOSISDBHSA-N 366.244 3.946 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccc([N+](=O)[O-])cc1 9273858 JCXCWYUVNFXKDA-WOJGMQOQSA-N 369.406 3.509 50 50 FHGA O=C(N/N=C/c1cccc2cccnc12)c1ccccc1Br 1208815 ANQMSVZIHRUIKF-RGVLZGJSSA-N 354.207 3.761 50 50 FHGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 752498 XSVRVVXAWCPYIK-VFZGTOFNSA-N 359.223 3.510 50 50 FHGA Cc1ccc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)s1 814496 IOKUODUMUGHXGJ-SFHVURJKSA-N 362.458 3.756 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccccc3)n[nH]2)cc1 6780324 UFWFUGGSQHGJRB-IVUYBEGISA-N 360.417 3.904 50 50 FHGA CO[C@@H](C(=O)N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1 6180342 BUNTXJAJWHCYDI-KKJJZKEWSA-N 353.809 3.726 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl 752451 MJJFIRGQPDKMJU-CQSZACIVSA-N 353.205 3.638 50 50 FHGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccc2ccccc2c1 4372599 KXGPMXMAUJVDCI-HZHRSRAPSA-N 360.413 3.934 50 50 FHGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 2285952 GLYMCKUCSMZDQB-GOSISDBHSA-N 372.380 3.576 50 50 FHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)cc1 1190016 FSBQYQUDZLSTIL-WSDLNYQXSA-N 357.417 3.939 50 50 FHGA CC1=C(C#N)[C@@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(N)O1 994152 IPGXOOIYCYNPMM-INIZCTEOSA-N 352.415 3.573 50 50 FHGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)cc3)[nH]n2)cc1 5354325 AGOFDTBFSQFOQH-HYARGMPZSA-N 362.433 3.802 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1Cl 632616 QACWADGDVNNMJN-HNNXBMFYSA-N 350.761 3.665 50 50 FHGA CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(=O)OCC)cc2)c1C 1187629 MAEZTGDNTYRZHZ-LDADJPATSA-N 366.417 3.741 50 50 FHGA C/C=C1/C[N@@+]2(CCCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14 245253779 PMVPZDGAMARLPF-RTDYUXKTSA-O 365.497 3.878 50 50 FHGA biogenic N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc(F)c(F)c1 1432412 UEDQYGGIFBNTPQ-HNNXBMFYSA-N 368.364 3.758 50 50 FHGA O=C(Cn1nc(C(F)F)cc1C(F)F)N/N=C/c1ccc(Cl)cc1 652360 YQACJPPOAJLVAD-CGOBSMCZSA-N 362.714 3.562 50 50 FHGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)c1 946231 BUWDTRXHRIHNMI-CIAFOILYSA-N 368.824 3.893 50 50 FHGA CC(C)(C)OC(=O)CCOCCSSCCO[C@@H]1CCCCO1 230493552 JTKJXQXCOWSQCZ-OAHLLOKOSA-N 366.545 3.659 50 50 FHGA O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1cccc2ccccc12 3029257 OQMVYXJWGOKWAQ-UHFFFAOYSA-N 358.401 3.717 50 50 FHGA O=C1CCC[C@]2(O)OO[C@@]3(C=C12)CC1c2ccccc2C3c2ccccc21 101082290 YCCUIFDICOZDIJ-XZHRWESNSA-N 360.409 3.736 50 50 FHGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(OC2CCCC2)cc1 1003507 OAJDNCZHKIJUED-CIAFOILYSA-N 352.390 3.501 50 50 FHGA C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc2ccccc2c1 5744109 MMTIOZHCQURDPI-HZHRSRAPSA-N 364.474 3.879 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccc(F)c1 718319 SSTTZJHBVVRJTG-KZULUSFZSA-N 350.349 3.627 50 50 FHGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(F)c(Oc2ccccc2)c1 1125833 JFNDMCIQJJTHIB-UHFFFAOYSA-N 364.405 3.836 50 50 FHGA O=C=Nc1c(Br)cc(Br)cc1Br 2560427 NGVBAZXOCBEMDK-UHFFFAOYSA-N 355.811 3.941 50 50 FHGA Cc1onc(-c2ccc(Br)cc2)c1C(=O)CBr 44672032 VZOVSEUZTNLQFY-UHFFFAOYSA-N 359.017 3.990 50 50 FHGA C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 5010404 GMECDSONWHNXFI-JYRGILPZSA-N 366.417 3.921 50 50 FHGA Cc1cc2c(c(=O)o1)[C@H](c1cccc(Oc3ccccc3)c1)C(C#N)=C(N)O2 823012 XVXNVWZFTOIBKL-LJQANCHMSA-N 372.380 3.959 50 50 FHGA Cc1cccc(CN(C(=O)CCl)[C@H](C)c2ccc3c(c2)NC(=O)CO3)c1 2325893153 UNRZFSDJGTWPGL-CQSZACIVSA-N 372.852 3.655 50 50 FHGA CCOC(=O)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1 38149251 ZVSGQPCUSBJUOG-UHFFFAOYSA-N 350.354 3.503 50 50 FHGA N#C/C(=C\c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 2858648 ULKPIQPDNPOZOX-RIYZIHGNSA-N 366.211 3.927 50 50 FHGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 9358732 DISISXCZGVWVNM-QGZVFWFLSA-N 358.401 3.694 50 50 FHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 867793 STSRYIVOVUJADP-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA O=C(NNC(=O)c1cccc(Br)c1)Nc1cccc(Cl)c1 1227854 AEFVWHNKEYUTIH-UHFFFAOYSA-N 368.618 3.569 50 50 FHGA C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@]2(O)C#N 253500075 VRSHJJXUDZAQKD-OFELHODLSA-N 357.494 3.947 50 50 FHGA biogenic O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(Br)o1 1200371 PGVXEKNRMUHGIP-CNHKJKLMSA-N 361.117 3.825 50 50 FHGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1 5625442 DTDPRZIEDKSDBW-DEDYPNTBSA-N 368.462 3.999 50 50 FHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)c1 2568418 NALOZXITYHHTEU-OEAKJJBVSA-N 374.396 3.684 50 50 FHGA CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(OC)c1 1184994 DLYKDJWUDOSDOP-MHWRWJLKSA-N 355.365 3.883 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1cccc([N+](=O)[O-])c1 19800335 MTRYONNMXUZQSA-WOJGMQOQSA-N 369.406 3.509 50 50 FHGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 2568394 RNBWVAASYIQGBQ-CIAFOILYSA-N 351.793 3.582 50 50 FHGA COCc1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OC 4615033 ZFAOKDBSCGXSMR-YDZHTSKRSA-N 370.493 3.898 50 50 FHGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Br)c2)C=C1C1CC1 632660 DBQCQDQIIMMFQC-INIZCTEOSA-N 365.234 3.653 50 50 FHGA COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1O 36031945 KXSZSABXZNPBQV-IZZDOVSWSA-N 353.359 3.983 50 50 FHGA C[Si](C)(C)OC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C=C[C@H]32)[C@H]1C(=O)O[Si](C)(C)C 247534975 QEWRIHXEVMMUJR-OWDFPOFWSA-N 364.590 3.593 50 50 FHGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2Cl)[nH]n1 4928067 UHKKWZOLAJCRHL-CIAFOILYSA-N 368.824 3.893 50 50 FHGA O=C(CBr)c1cc(F)c(Br)c(Br)c1 263624623 SBRKQCHDJFASBR-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA C[C@@H](Cl)C(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 1875364753 SLCSISREMAXNJC-UKRRQHHQSA-N 362.823 3.527 50 50 FHGA O=C(COc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 4372608 IGLFWXKXOCQKFZ-HZHRSRAPSA-N 360.413 3.795 50 50 FHGA CCn1cc(/C=N/NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cn1 6490296 BUNJAENCIABDSC-IOVUBPJKSA-N 364.474 3.887 50 50 FHGA O=C(CSCc1cccc(Br)c1)N/N=C/c1cccs1 1233608 SDTYDCWLGQTKMY-LZYBPNLTSA-N 369.309 3.894 50 50 FHGA C[Si](C)(C)OC(=O)[C@H]1CCCN1C[P@@](C)(=O)O[Si](C)(C)C 217370068 NCWPEIANHWIWHD-BLVKFPJESA-N 351.532 3.546 50 50 FHGA CC(C)(C)[Si](C)(C)OCC[C@H]1OC[C@]1(C=O)OCc1ccccc1 169835288 WPQUOTRFINPPEP-MJGOQNOKSA-N 350.531 3.952 50 50 FHGA COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 752427 XAECUTLJNKDJEN-KKSFZXQISA-N 372.424 3.904 50 50 FHGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)cc2)cc1 4355198 CUXSNWVHCWNFFP-NMWDDECMSA-N 374.440 3.758 50 50 FHGA CC(C)(C)OC(=O)N1CCC2(CC1)CC(I)C2 307377351 CFXHCGRYXGBFKG-UHFFFAOYSA-N 351.228 3.601 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(F)c(F)c1 718023 RYISCUCZFRYFAM-BBATYDOGSA-N 368.339 3.766 50 50 FHGA Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1cccc(Oc2ccccc2)c1 31841397 BDAFQUBLBHIAFX-HMAPJEAMSA-N 362.433 3.902 50 50 FHGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1n[nH]c2c1CCC2 5359275 LTVIWIRCMVUIMZ-YDZHTSKRSA-N 354.413 3.969 50 50 FHGA CCCCOc1ccc(C(=O)NNC(=S)N[C@H](C)c2ccccc2)cc1 2852674 DUSAEEMGRCQNCP-OAHLLOKOSA-N 371.506 3.736 50 50 FHGA O=C(N/N=C/c1ccccc1OCc1cnc(Cl)s1)c1cccnc1 1406066 IBSXNYYOUGWCON-ZVBGSRNCSA-N 372.837 3.534 50 50 FHGA O=C(O)CCSSCCNC(=O)C1(Cc2cccc(F)c2)CCC1 1875388513 FBNLHAZYTCMLAR-UHFFFAOYSA-N 371.499 3.511 50 50 FHGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CCCC3=O)cc1 1057133 WNKGBHXZXXNZNN-FQEVSTJZSA-N 356.429 3.695 50 50 FHGA Cc1ccc2[nH]c(/C(C#N)=C\c3cn(CC(=O)O)c4ccccc34)nc2c1 5028032 VZSKWTKXDSUZDI-ZROIWOOFSA-N 356.385 3.975 50 50 FHGA N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1cccc(Br)c1 5090926 SXRWZYDWFGICPX-ZSOIEALJSA-N 352.191 3.866 50 50 FHGA N=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1 2512157 RIXHNWGRTHDXPC-UHFFFAOYSA-N 372.639 3.937 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1 1236792 FCMHMYYECUOPPR-VXLYETTFSA-N 374.853 3.954 50 50 FHGA NC(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 3095186 QAXNCZZJXGWCLJ-AWQFTUOYSA-N 373.821 3.776 50 50 FHGA CCOc1cccc(/C=N/NC(=O)C2=C(C)Nc3ccccc3S2)c1O 1201107 MYOHUQADQQXWJV-RGVLZGJSSA-N 369.446 3.690 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(Br)cc1 5296934 LMNMSTKGXTUXIO-VCHYOVAHSA-N 373.210 3.586 50 50 FHGA COc1cccc(/C=N/NC(=O)c2cccc(OC(F)(F)C(F)F)c2)c1 662989 IQZHMWRHTANANN-LSHDLFTRSA-N 370.302 3.696 50 50 FHGA O=C(N/N=C/c1ccc(Cl)cc1)c1n[nH]c2c1CCc1ccccc1-2 5296865 LJAZNRRSUBXCNH-SRZZPIQSSA-N 350.809 3.593 50 50 FHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 752550 JYORIGWCMGDEFO-IIBYNOLFSA-N 372.424 3.904 50 50 FHGA O=C(NNC(=O)c1ccccc1-n1cccc1)c1cccc(C(F)(F)F)c1 1394341 MQCRLCQTBKVGIB-UHFFFAOYSA-N 373.334 3.571 50 50 FHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)c1 4326746 HCCRXEUMSLSEQU-LFVJCYFKSA-N 372.424 3.907 50 50 FHGA CCCNC(=O)NNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 6879816 STNRZXKWKHVANW-UHFFFAOYSA-N 368.462 3.626 50 50 FHGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1n[nH]c2c1CCCC2 730063 XCMNNJAOCAVQHO-OEAKJJBVSA-N 374.444 3.631 50 50 FHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cc(F)ccc1F 1132556 OKLBSPANEFXWKV-OAHLLOKOSA-N 350.328 3.573 50 50 FHGA COc1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1OC 4302438 NQSRKBIXLHWKJX-DJKKODMXSA-N 353.205 3.775 50 50 FHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccccc2)cc1 1922868 IISGMFJJYQCUKM-FYJGNVAPSA-N 361.357 3.731 50 50 FHGA O=C(NNC(=S)Nc1ccc(F)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 13555160 NURLVWCSCJBVNO-LSDHHAIUSA-N 363.845 3.600 50 50 FHGA O=C(N/N=C/c1ccc(O)cc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1229924 CLSKBZZGKZGOKC-DOZBRYHWSA-N 356.425 3.849 50 50 FHGA Cc1cccc(OCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1C 2764538 OZCQAZOWDAYWEL-LSHDLFTRSA-N 350.340 3.851 50 50 FHGA CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1209597 MMEQBOIOYLDVFJ-ZROIWOOFSA-N 358.239 3.510 50 50 FHGA COc1cccc(C(=O)C(Br)C(=O)c2cccc(OC)c2)c1 100802036 TUECNKMLFJLFOE-UHFFFAOYSA-N 363.207 3.533 50 50 FHGA C=C[C@@H](C)[C@H](OCOCCOC)[C@@H]1O[C@H]1CO[Si](C)(C)C(C)(C)C 169834739 UGVCPSIRACZBEB-LTIDMASMSA-N 360.567 3.603 50 50 FHGA Cc1ccc(S(=O)(=O)N(CCBr)c2ccccc2)cc1 690090 BZENNILAPOEORO-UHFFFAOYSA-N 354.269 3.585 50 50 FHGA COc1cccc(CN(C)C(=O)[C@@H](C)Cl)c1OCc1ccccc1F 1875380149 GLWOCIOGSJVVQL-CYBMUJFWSA-N 365.832 3.999 50 50 FHGA COc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 100194998 OFMRGGKESHAUHM-AUWJEWJLSA-N 358.401 3.712 50 50 FHGA CCn1c(SCC(=O)N/N=C/c2ccccc2Cl)nc2ccccc21 1192975 HOJHMPFLJCGGFK-RGVLZGJSSA-N 372.881 3.952 50 50 FHGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1233673 HLJWHIOJIULYPQ-CNRHGSOZSA-N 363.373 3.666 50 50 FHGA C=CCOc1ccc(/C=N/NC(=O)COc2ccc(CCC)cc2)cc1 4372843 SQXPYZQRFKDNCQ-PXLXIMEGSA-N 352.434 3.733 50 50 FHGA Cc1oc(C(=O)NCCSSCCC(=O)O)cc1-c1ccccc1 1875388455 BUFILXHWQKLDQS-UHFFFAOYSA-N 365.476 3.841 50 50 FHGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 4210141 DHWVQLOGARKAHP-FYJGNVAPSA-N 362.389 3.766 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1Cc1ccccc1 856095 RRKVXVLDSGQSKX-ROUUACIJSA-N 356.425 3.970 50 50 FHGA C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)C#N)OCCO3 253502016 VRSHJJXUDZAQKD-WMDQAZIPSA-N 357.494 3.947 50 50 FHGA O=C(CCl)Nc1ccc(Cc2ccc(NC(=O)CCl)cc2)cc1 1669857 SVQWRVUVTZFTFO-UHFFFAOYSA-N 351.233 3.632 50 50 FHGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Cl)ccc2O)cc1C 6215631 TVDBWQIECZYOHA-SRZZPIQSSA-N 373.840 3.531 50 50 FHGA O=C(CCl)Nc1ccc(Oc2ccc(NC(=O)CCl)cc2)cc1 2284644 SEWAENFHTIIIGK-UHFFFAOYSA-N 353.205 3.834 50 50 FHGA CCOC(=O)c1sc2nc(C)c(Cl)c(C)c2c1NC(=O)CCl 1069813 MCPPUXJBIOEGPS-UHFFFAOYSA-N 361.250 3.921 50 50 FHGA O=C(CCc1ccccc1)NNC(=S)Nc1ccc(Cl)c(Cl)c1 6829456 UVSFTYILFYGNHR-UHFFFAOYSA-N 368.289 3.944 50 50 FHGA O=C(NNc1cc(C(F)(F)F)cc(Cl)n1)c1c(F)cccc1F 96190131 XXZWHXSSLDFMDL-UHFFFAOYSA-N 351.662 3.789 50 50 FHGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cccc(F)c1 1229858 QSGQMJVNIWXXLE-CIAFOILYSA-N 368.389 3.870 50 50 FHGA CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N/N=C(\C)c3ccc(O)cc3)c2C1 5402561 MYASFQLHQZBDBV-IKMPRTQCSA-N 368.481 3.810 50 50 FHGA C=C[C@@H](C)[C@H](OCOCCOC)[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C 169834743 UGVCPSIRACZBEB-WCXIOVBPSA-N 360.567 3.603 50 50 FHGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5126177 FOKHXWCIAMYKTP-BUVRLJJBSA-N 367.412 3.903 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2s1 1474868 NXBPUSVOWJUHOA-YBFXNURJSA-N 371.487 3.937 50 50 FHGA O=C(CBr)c1cc(Br)cc(Br)c1F 263622867 BNZZTGOAGDADBD-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA CCOC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169837937 CYFLZPMMJMRFPZ-UHFFFAOYSA-N 370.565 3.906 50 50 FHGA COc1cc(Cl)cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)c1 816569919 BDBZHBIWCUYPCJ-UHFFFAOYSA-N 369.730 3.996 50 50 FHGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccccc2C)cc1C 6401629 ZCIUREFVLCQWQR-UHFFFAOYSA-N 373.547 3.863 50 50 FHGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccco3)[nH]n2)cc1 5402574 WIEOSUITBXIKIX-DEDYPNTBSA-N 352.394 3.613 50 50 FHGA COc1cccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)c1OC 238881518 ALXSHYSGJLBONN-UHFFFAOYSA-N 370.449 3.530 50 50 FHGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2ccc(C(=O)O)c(F)n2)C1 169794150 CFUCDNWBSUCSFQ-LBPRGKRZSA-N 354.498 3.767 50 50 FHGA in-vitro O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2379922 MKKPRGNKGWWVIP-UFWORHAWSA-N 370.623 3.736 50 50 FHGA O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)Cl)c1ccccc1 3109727 KYBKLXXNQVHMEC-CQSZACIVSA-N 368.289 3.533 50 50 FHGA CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H](NC(=O)CCl)CC1 1875376941 NSDHJWWYHWXMED-JKSUJKDBSA-N 366.889 3.525 50 50 FHGA c1ccc(CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169816318 CJVSPTOVYOQHNA-UHFFFAOYSA-N 366.536 3.870 50 50 FHGA Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 1106682 CNKNNMZTXPOUQI-CYBMUJFWSA-N 365.252 3.634 50 50 FHGA O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1c2ccccc2-c2ccccc21 252510280 ZGCVEODSAWBVGV-UHFFFAOYSA-N 357.369 3.687 50 50 FHGA O=C(COc1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1 4287368 WOCBLRXEOSVTPM-HZHRSRAPSA-N 360.413 3.795 50 50 FHGA CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 5317582 WWJZRAKXGIJAQD-HYARGMPZSA-N 362.433 3.938 50 50 FHGA CCOC(=O)[C@@H]1C[C@H](Cl)[C@H](Sc2ccccc2)C[C@H]1C(=O)OCC 254702790 AUTVLJMYUKTMEB-LVQVYYBASA-N 370.898 3.907 50 50 FHGA O=C(CCc1ccccc1)NNC(=S)Nc1ccccc1C(F)(F)F 6402842 RIQSLSTVEXPFKD-UHFFFAOYSA-N 367.396 3.656 50 50 FHGA CC(/C=N/NC(=O)CSc1nc2ccccc2n1C)=C\c1ccccc1 12342805 HJXGNIACHXDAQF-XLLHXKPXSA-N 364.474 3.871 50 50 FHGA O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1cccc2ccccc12 673301 AZYXKCMLQANZFV-UHFFFAOYSA-N 353.809 3.889 50 50 FHGA aggregator COc1ccc2c(c1)[C@H](NC(=O)[C@H](F)Cl)CCN2C(=O)OC(C)(C)C 2325898268 YQRPKUSLRIGMAB-OCCSQVGLSA-N 372.824 3.532 50 50 FHGA Cc1ccccc1C(=O)NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 788185 UKRCSKFWRKQBJO-OAQYLSRUSA-N 370.452 3.762 50 50 FHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 2573620 BXQYIFRHKQPHII-KEBDBYFISA-N 364.232 3.645 50 50 FHGA N#CC(Cl)=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 4827935 IQVJGJHCSWXAQL-UHFFFAOYSA-N 361.697 3.892 50 50 FHGA CC1=C(C#N)[C@H](c2ccncc2Br)C2=C(CC(C)(C)CC2=O)N1 25695315 YQCNZETUTSVTMS-INIZCTEOSA-N 372.266 3.972 50 50 FHGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 2143777 LGQRYWXLJFPLCR-GOSISDBHSA-N 350.418 3.702 50 50 FHGA Cc1cc(C)cc(NC(=S)NNC(=O)c2csc3c2CCCC3)c1 6571464 FPDSLPNBAJXZIO-UHFFFAOYSA-N 359.520 3.875 50 50 FHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3Cl)[nH]n2)cc1 1822064 CLWHGEQMHQMFBK-UFFVCSGVSA-N 356.788 3.942 50 50 FHGA CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@H]1c1ccccc1F 995031 TYPBMSRNHACSLJ-QGZVFWFLSA-N 364.376 3.608 50 50 FHGA O=C(COc1cccc(Cl)c1)N/N=C\c1c(O)ccc2ccccc12 16671070 FXXQUWOPLNSYFZ-NHDPSOOVSA-N 354.793 3.728 50 50 FHGA NC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2543149 NMWLKJXUNHGUGC-SSDVNMTOSA-N 367.792 3.715 50 50 FHGA CC[C@H](NC(=O)[C@H](C)Cl)c1noc(-c2cccc(Br)c2)n1 1875364001 HDLVMWROLRYHCR-KWQFWETISA-N 372.650 3.694 50 50 FHGA COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OC 8578121 MJQDYNUMIKBFJM-NTUHNPAUSA-N 364.361 3.861 50 50 FHGA C=CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60272631 HRVUBYDKEWNBKA-UHFFFAOYSA-N 361.401 3.710 50 50 FHGA COc1ccc(/C(C#N)=C/c2ccc(N3CCC(O)CC3)s2)cc1OC 117645501 NOGGBVNCVONHHC-RVDMUPIBSA-N 370.474 3.791 50 50 FHGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1 867960 PBDYXFKHYGCYSZ-YBFXNURJSA-N 354.435 3.609 50 50 FHGA CN(C)c1ccc(/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc2)cc1 12599491 DPLNWXMMSVHTJS-LNVKXUELSA-N 359.429 3.641 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl 632652 UXRUJLDFQWVDOC-ZDUSSCGKSA-N 353.205 3.638 50 50 FHGA COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1Br 226694186 KBHIRKVXQIODMK-LVGXXRRVSA-N 365.271 3.734 50 50 FHGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@H]1CCCO1 854930 FIKOGMSTPDEPDY-IDKBZEPQSA-N 356.809 3.802 50 50 FHGA C[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1202176 WIMFHPKYBHCUFP-CNRHGSOZSA-N 362.389 3.699 50 50 FHGA COc1cccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)c1 946190 PIVNPLZEPSVMNT-LPYMAVHISA-N 362.433 3.973 50 50 FHGA N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(N)=S 4811257 WDOQYIFJXOAFGJ-ZROIWOOFSA-N 362.414 3.791 50 50 FHGA O=C(CCn1cnc2ccccc21)N/N=C/c1ccc(Cl)cc1Cl 12467155 QTHRKWJWLKNPOV-UFFVCSGVSA-N 361.232 3.884 50 50 FHGA O=C(CCc1ccccc1)NNC(=S)Nc1cccc(C(F)(F)F)c1 6402840 DWLWAGODTHQHRL-UHFFFAOYSA-N 367.396 3.656 50 50 FHGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc3ccccc3c2)n[nH]1 4310888 RONDYZNQBNBYIU-LPYMAVHISA-N 356.385 3.699 50 50 FHGA Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccoc2)C(C#N)=C(N)O3)cc1 8557761 YBGMYXBDOZZBRM-INIZCTEOSA-N 364.430 3.822 50 50 FHGA O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1cccc(F)c1 1229856 ODMASTZVXDTKJL-CNHKJKLMSA-N 371.593 3.711 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1Cc1ccccc1 856096 RRKVXVLDSGQSKX-ZWKOTPCHSA-N 356.425 3.970 50 50 FHGA O=C1CCC[C@@]2(O)OO[C@]3(C=C12)CC1c2ccccc2C3c2ccccc21 101082285 YCCUIFDICOZDIJ-NBMNISKBSA-N 360.409 3.736 50 50 FHGA COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@H](C)Cl)CC2 1875364922 YBJKQKGESYFDQY-GTNSWQLSSA-N 365.882 3.867 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 705861 JAYPSSUHELJFKH-FQEVSTJZSA-N 360.413 3.998 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 752469 WZYSCZRWRMYDJK-QRWLVFNGSA-N 358.397 3.601 50 50 FHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 2519995 NBIMOFQOMGVYRJ-OEAKJJBVSA-N 374.396 3.684 50 50 FHGA O=C(N/N=C\c1ccc2ccccc2c1)c1cncc(Br)c1 32666350 VCDYOBQXMMOBHU-UKWGHVSLSA-N 354.207 3.761 50 50 FHGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 867734 NVROBOOJAKOVPY-SSDVNMTOSA-N 361.380 3.769 50 50 FHGA C/C(=N\NC(=O)Cc1c[nH]c2ccccc12)c1cn(C(C)(C)C)nc1C 222145571 WTDPFVVGVIYUFF-LPYMAVHISA-N 351.454 3.511 50 50 FHGA O=C(N/N=C/c1nc2ccccc2n1Cc1ccccc1)c1ccccc1 6457328 AXLXDEHBSBQIIB-HZHRSRAPSA-N 354.413 3.849 50 50 FHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CC[C@@]34O[C@@H]3C(=O)CC[C@@]14C[C@@H]1O[C@H]1C2 257359266 ZIIMGLGIENRQEF-CBUXLUALSA-N 364.558 3.835 50 50 FHGA Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccc(F)c1 1229821 ULOULNVJQUXQJS-SRZZPIQSSA-N 356.788 3.737 50 50 FHGA N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1nc2ccccc2[nH]1 13425338 TWDCZCDEONUPMA-GHXNOFRVSA-N 353.765 3.744 50 50 FHGA O=C(CCl)N[C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)nc1 1875377352 CQYIKMWIISGAOI-AWEZNQCLSA-N 361.175 3.781 50 50 FHGA CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 15219447 ZNFIWUSWGGFOFM-PTNGSMBKSA-N 352.390 3.735 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 4366560 UDUASKHDQQMFRK-KEBDBYFISA-N 367.232 3.921 50 50 FHGA CC(C)Oc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1 4631453 WMOSTIZWDKCMSW-OAHLLOKOSA-N 352.438 3.713 50 50 FHGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 946170 BDAFQUBLBHIAFX-HYARGMPZSA-N 362.433 3.902 50 50 FHGA COc1cc(Br)cc(C2C(C#N)=C(C)NC(C)=C2C#N)c1OC 623461 HOAMNCANYRJAGS-UHFFFAOYSA-N 374.238 3.748 50 50 FHGA COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1Br 1154086 ZLXVVIXFYXKDMF-UHFFFAOYSA-N 352.140 3.585 50 50 FHGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 4366462 QXIBLGITPDYGBG-HZHRSRAPSA-N 358.397 3.978 50 50 FHGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1O 2379733 OEQDQGRDQJWFCW-DJKKODMXSA-N 353.205 3.862 50 50 FHGA CCCOc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1OCC 2901066 DTBYWZOMKVUBGV-QCBCRBAMSA-N 370.449 3.712 50 50 FHGA COc1ccc([C@@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1 850184 SAGWJOHJTFYXJF-GOSISDBHSA-N 358.426 3.834 50 50 FHGA COc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1Cl 799753654 LZOPPCIRIYWQJW-UHFFFAOYSA-N 369.730 3.996 50 50 FHGA Cc1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 6813098 SOQNRTAMNVOQGH-YDZHTSKRSA-N 362.477 3.950 50 50 FHGA NC(=O)N/N=C/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 2571256 OIZDZLYZIARHHC-AERZKKPOSA-N 358.707 3.548 50 50 FHGA O=C(N/N=C/c1ccccc1O)c1ccc(N2Cc3ccccc3C2)cc1 1190463 PTIQSFUMPOCVLC-YDZHTSKRSA-N 357.413 3.676 50 50 FHGA COc1cccc([C@H](CNC(=O)CCl)c2c[nH]c3ccccc23)c1OC 1341509612 JYDOAPDBGFBKKG-INIZCTEOSA-N 372.852 3.672 50 50 FHGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@@H]1CCCO1 854932 FIKOGMSTPDEPDY-SHRNQRGKSA-N 356.809 3.802 50 50 FHGA CSc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 945537 CGEQXDAZMKUGGO-VCHYOVAHSA-N 356.476 3.527 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(N)O1 705924 XWBGSDWFMLLXCC-IBGZPJMESA-N 364.376 3.651 50 50 FHGA C[Si](C)(C)OC(=O)[C@H]1CCCN1C[P@](C)(=O)O[Si](C)(C)C 195813240 NCWPEIANHWIWHD-CWTRNNRKSA-N 351.532 3.546 50 50 FHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CC[C@@]34O[C@@H]3C(=O)CC[C@@]14C[C@@H]1O[C@@H]1C2 257359272 ZIIMGLGIENRQEF-WXOKESRISA-N 364.558 3.835 50 50 FHGA COc1ccccc1-c1cc(C(=O)N/N=C/C(C)=C/c2ccccc2)[nH]n1 5402838 DGSGSRFPCQELSI-IVUYBEGISA-N 360.417 3.904 50 50 FHGA Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc1 6492288 VUFGGALIONUSTC-INIZCTEOSA-N 364.430 3.822 50 50 FHGA COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OC(F)F 32573668 ZLIAGRIGKPJXKL-ZROIWOOFSA-N 365.357 3.635 50 50 FHGA C[C@H](NC(=S)NNC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 17076521 FKAOYISZFYQXNA-ZDUSSCGKSA-N 373.547 3.887 50 50 FHGA Cc1nn(Cc2ccc(C(=O)N/N=C\c3cccc(F)c3)o2)c(C)c1Cl 32467459 WVHYRUIJNWXYEO-NKVSQWTQSA-N 374.803 3.698 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O1 705928 ZLJMANBOWMVHTF-IBGZPJMESA-N 364.376 3.651 50 50 FHGA CC(=O)C1=C(c2ccccc2)NC(=C(C#N)C#N)C(C#N)=C1c1ccccc1 253471383 QTDKWUPCUGPXQX-UHFFFAOYSA-N 362.392 3.869 50 50 FHGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccn1 1215532 BXORMGAIIASWBL-RGVLZGJSSA-N 370.206 3.868 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1c(F)cccc1Cl 626045 XIFFSDWHLVIGTK-AWEZNQCLSA-N 368.751 3.804 50 50 FHGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 752499 XSVRVVXAWCPYIK-RFAUZJTJSA-N 359.223 3.510 50 50 FHGA CN1C(=O)/C(=N\NC(=O)c2sc3ccccc3c2Cl)c2ccccc21 6211807 XCXMEGXKBWJGDQ-HKWRFOASSA-N 369.833 3.665 50 50 FHGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 4482711 HNJPMTZWMPMFIN-CIAFOILYSA-N 368.824 3.893 50 50 FHGA CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C(c2ccccc2)=C[C@H]1c1ccccc1 754092 CSMCOWPCFXDBHM-NZQKXSOJSA-N 369.424 3.677 50 50 FHGA O=C(N[C@@H](NC(=S)Nc1ccccc1)C(Cl)Cl)c1ccccc1 3109728 KYBKLXXNQVHMEC-AWEZNQCLSA-N 368.289 3.533 50 50 FHGA Cn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(O)ccc3O)ccc21 15934452 VOOKNWMKFQGFDK-WSDLNYQXSA-N 359.385 3.507 50 50 FHGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(CC)cc2)[nH]n1 868070 HYMWAVFZBHAIBT-HYARGMPZSA-N 362.433 3.802 50 50 FHGA N#Cc1ccc(NNC(=O)c2ccc(C#N)c(Cl)c2)c(C(F)(F)F)c1 799747110 XTKCWHGATOSBEH-UHFFFAOYSA-N 364.714 3.859 50 50 FHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 4282415 SFYDWWOJNXGSJR-UFWORHAWSA-N 370.623 3.736 50 50 FHGA COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 1501070 HZXMGLZHEVGAQN-QGMBQPNBSA-N 368.176 3.674 50 50 FHGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2cccc3ccccc23)n[nH]1 2377250 VHOUKTLTCKTEMD-LPYMAVHISA-N 356.385 3.699 50 50 FHGA Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(Cl)cc1Cl 5318822 IXHNZPNPVWNZMN-AWQFTUOYSA-N 361.232 3.802 50 50 FHGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2571795 XKLMADQNXPAGIA-UFWORHAWSA-N 370.623 3.736 50 50 FHGA COc1cccc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)c1 9087139 IQWHGCVZKDVBKZ-KRWDZBQOSA-N 350.443 3.967 50 50 FHGA C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)s1 5094712 SRVQVFMQRFBVOE-OVCLIPMQSA-N 368.212 3.573 50 50 FHGA Cc1cccc(OCC(=O)N/N=C/c2ccccc2C(F)(F)F)c1C 668706 LGCALOIHLBGRNF-LSHDLFTRSA-N 350.340 3.851 50 50 FHGA CCOC(=O)CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1229899 HDSIABOOBJGHCQ-UHFFFAOYSA-N 357.173 3.870 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)cc1 945608 PKNQNJXWARYDKM-LPYMAVHISA-N 362.433 3.973 50 50 FHGA Cc1ccsc1C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl 2852948 AKHJQNSIRNJEPR-UHFFFAOYSA-N 360.291 3.995 50 50 FHGA N#CC(C(=O)CO/N=C/c1ccccc1Cl)=C1Nc2ccccc2N1 5729393 RZMJWFIFKHUILD-UFFVCSGVSA-N 352.781 3.532 50 50 FHGA O=C(CBr)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 15442646 RVHSDLUBNZBRMH-UHFFFAOYSA-N 372.218 3.685 50 50 FHGA in-vitro C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1ccccc1 100631335 CNVPSGBXKXNXPF-FSJBWODESA-N 363.339 3.840 50 50 FHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)cc1 9110568 VINUPBANSWZAAU-CIAFOILYSA-N 368.824 3.893 50 50 FHGA COc1ccccc1/C=N/NC(=O)COc1cccc(Cl)c1Cl 43761067 WLGKAYIAVLHWPA-DJKKODMXSA-N 353.205 3.531 50 50 FHGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 752500 XSVRVVXAWCPYIK-BJOHPYRUSA-N 359.223 3.510 50 50 FHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1 4210646 XSRDYAIJQRGAMF-HZHRSRAPSA-N 358.397 3.978 50 50 FHGA C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 5021109 PFIVUVPFOSVBPJ-UWLAKRBBSA-N 361.445 3.679 50 50 FHGA O=C(NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)Nc1ccccc1 779828 WOFYSDPNLPDPFH-HXUWFJFHSA-N 371.440 3.846 50 50 FHGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2ccccc2F)CCCC1 732113538 WRAGDULKEDIMFM-UHFFFAOYSA-N 366.396 3.831 50 50 FHGA Cc1c(C(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)oc2ccccc12 5060844 RJPCPNADVIIENL-UHFFFAOYSA-N 367.449 3.654 50 50 FHGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2530446 BAKUXAVTDLRAKJ-FYJGNVAPSA-N 373.840 3.608 50 50 FHGA CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@@H]1c1ccccc1F 995032 TYPBMSRNHACSLJ-KRWDZBQOSA-N 364.376 3.608 50 50 FHGA Cc1ccccc1NC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2 8581802 WYGLDQSIGUKXSP-LLVKDONJSA-N 359.520 3.813 50 50 FHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1 3097432 PXDKAIZFBOEOHF-OEAKJJBVSA-N 374.396 3.684 50 50 FHGA C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(Cl)cc1 12342866 WNUUQGMEGIPRTM-MTJSOVHGSA-N 372.881 3.859 50 50 FHGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1c(O)ccc2ccccc12 2686185 WAGYVRBXRBRRBF-ZIFAQYRBSA-N 372.428 3.682 50 50 FHGA O=C(CCl)N1CCC[C@@H](c2nc(-c3cccnc3)nc3ccccc23)C1 1875386997 ITCKVNDACYWESR-OAHLLOKOSA-N 366.852 3.637 50 50 FHGA N#Cc1nc(-c2ccc(Cl)cc2)oc1NNC(=O)c1ccc(F)cc1 1857799092 NQDJQJVMNNFOMN-UHFFFAOYSA-N 356.744 3.763 50 50 FHGA O=C1c2ccccc2C[C@@H]2C[C@H](Br)[C@H](Br)C[C@@H]12 101812073 GPSVPJIXKBATCI-FOUMNBMASA-N 358.073 3.979 50 50 FHGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 860083 ZQOGISVGJXZUKM-HXUWFJFHSA-N 372.428 3.798 50 50 FHGA CCO[P@](=O)(c1ccccc1)c1nc(-c2ccc(C)cc2)oc1N(C)C 3200507 FCVQKLZQLQBMSV-AREMUKBSSA-N 370.389 3.981 50 50 FHGA O=C1OC(=O)[C@]23Cc4ccccc4C[C@]12C[C@H]1Cc2ccccc2C[C@H]1C3 100971981 IQIBRSZRBYIBNJ-XZOTUCIWSA-N 358.437 3.666 50 50 FHGA O=C(N/N=C1/CN2CCC1CC2)c1cc(-c2ccccc2)nc2ccccc12 23115020 QYIMERMKWRQLBZ-LVWGJNHUSA-N 370.456 3.713 50 50 FHGA C[Si](C)(C)OC(=O)[C@@H]1CCCN1C[P@](C)(=O)O[Si](C)(C)C 195813239 NCWPEIANHWIWHD-HXPMCKFVSA-N 351.532 3.546 50 50 FHGA Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)c3ccccc23)c1 5068975 YMHZBUIQXPEUEO-GDNBJRDFSA-N 359.385 3.580 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(F)c(F)c1 718020 RYISCUCZFRYFAM-ZMZPIMSZSA-N 368.339 3.766 50 50 FHGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccco2)[nH]n1 4981354 HTUYGRADEHXZQM-CIAFOILYSA-N 360.373 3.595 50 50 FHGA O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C/c1ccncc1 1203114 AIUDPFJKVFDWNA-FBCYGCLPSA-N 358.612 3.571 50 50 FHGA COc1ccccc1-c1cc(C(=O)N/N=C/c2c(F)cccc2Cl)[nH]n1 5125856 MRXXRDACGDQLAT-UFFVCSGVSA-N 372.787 3.642 50 50 FHGA CC1=C(C#N)[C@@H](c2ccncc2Br)C2=C(CC(C)(C)CC2=O)N1 25695311 YQCNZETUTSVTMS-MRXNPFEDSA-N 372.266 3.972 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 676340 DQFVTTQWBUUIPF-OMBDHMDGSA-N 360.841 3.965 50 50 FHGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccc(C(=O)O)c(F)n2)C1 169794149 CFUCDNWBSUCSFQ-GFCCVEGCSA-N 354.498 3.767 50 50 FHGA in-vitro CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(O)cc3O)ccc21 1228362 YJSDXYSDUGIJPA-YDZHTSKRSA-N 373.412 3.990 50 50 FHGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1O 4372889 QWGMTCGPGLYTNR-PFRBSUFTSA-N 360.413 3.977 50 50 FHGA Cc1ccc(NCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)cc1 55429975 CTZAPQALALUVJF-ZBKNUEDVSA-N 352.221 3.570 50 50 FHGA O=C(N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)Nc1ccccc1 408720470 QJXGDOQDRLWRDY-RGVLZGJSSA-N 365.345 3.506 50 50 FHGA Cc1cc(/C=C(\C#N)C(N)=S)c(C)c(Cn2ccc(C(F)(F)F)n2)c1 1078945 DPFJHFCIBZPDDR-NTUHNPAUSA-N 364.396 3.760 50 50 FHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 781463 PGMUYVZMPKMYNI-HYARGMPZSA-N 356.385 3.896 50 50 FHGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 1247533 NBFXRIOGNVHRDO-YBFXNURJSA-N 371.487 3.937 50 50 FHGA O=C(COc1ccc(Br)cc1)N/N=C/C=C/c1ccccc1 3166892 ILJBFZJOORVGSW-MZBBQUMVSA-N 359.223 3.643 50 50 FHGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 2568422 NPOWKMCVMOZZSG-UFWORHAWSA-N 370.623 3.736 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccco1 4531313 MMPOVYGKGVLQCJ-VCHYOVAHSA-N 373.210 3.586 50 50 FHGA Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 653585 QMTUTEPGRWOFIQ-CVEARBPZSA-N 359.882 3.770 50 50 FHGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 5125956 FZOAXUCXDQGNNQ-LBPRGKRZSA-N 362.355 3.944 50 50 FHGA CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCl)[C@H](c2ccccc2)CC1 1875376939 NSDHJWWYHWXMED-HOTGVXAUSA-N 366.889 3.525 50 50 FHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 2761191 UQGBZFUHHNLLLK-HNNXBMFYSA-N 373.250 3.900 50 50 FHGA C[C@H](Br)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 43808065 WTPXMCDQDPDRBU-NSHDSACASA-N 354.207 3.713 50 50 FHGA COc1ccc(C(=O)N/N=C/C(Br)=C/c2ccccc2)cc1 1203623 XHTVKVGNIDHJQF-CTGWRUSHSA-N 359.223 3.847 50 50 FHGA O=C(COc1cccc(Br)c1)N/N=C/c1ccccc1Cl 1230236 WRFYTRLOQMUZLE-GIJQJNRQSA-N 367.630 3.632 50 50 FHGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)s1 752512 KKXSNSFABZGPSJ-WPPNPWJKSA-N 365.252 3.571 50 50 FHGA C=CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 2839117 BWGBCEYJIMUNGW-CNRHGSOZSA-N 358.825 3.822 50 50 FHGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1Cl 725059 XDBFHHGMVOAFBP-GIJQJNRQSA-N 367.630 3.632 50 50 FHGA COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 752619 ONZUEPFLPAVQKO-VFNWGFHPSA-N 372.424 3.904 50 50 FHGA Cc1ccc(/C=N/NC(=O)COc2ccccc2Br)c(C)c1 1209246 DUDPQFFCWFLGKW-VXLYETTFSA-N 361.239 3.595 50 50 FHGA O=C(NNC(=O)c1sc2ccccc2c1Cl)NC1CCCCC1 2761186 FVBCXDXCXRHQBY-UHFFFAOYSA-N 351.859 3.831 50 50 FHGA COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 752425 XAECUTLJNKDJEN-IERDGZPVSA-N 372.424 3.904 50 50 FHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1 5799494 IDEZZEBIAPCSIN-FYJGNVAPSA-N 365.437 3.588 50 50 FHGA COc1ccc(NCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 5586520 VTECIAFKYXCICH-AWQFTUOYSA-N 352.221 3.564 50 50 FHGA C[Si](C)(C)OC(=O)[C@H]1[C@H]2C=C[C@@H]([C@H]3C=C[C@H]32)[C@H]1C(=O)O[Si](C)(C)C 215870171 QEWRIHXEVMMUJR-OHQCYIMMSA-N 364.590 3.593 50 50 FHGA O=C(N/N=C/c1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1 1083244 ONWGJPDBNJONCO-HZHRSRAPSA-N 364.832 3.726 50 50 FHGA C/C=C1/C[N@@+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14 245253780 PMVPZDGAMARLPF-XMAUJETRSA-O 365.497 3.878 50 50 FHGA biogenic CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 8569549 YVBOPIUEHXQEQJ-CIAFOILYSA-N 367.840 3.560 50 50 FHGA Cc1cccc(CN(C(=O)CCl)[C@@H](C)c2ccc3c(c2)NC(=O)CO3)c1 2325893152 UNRZFSDJGTWPGL-AWEZNQCLSA-N 372.852 3.655 50 50 FHGA CSc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1 6294973 WYTOEMPZNOUULV-CIAFOILYSA-N 362.458 3.661 50 50 FHGA O=C(Nc1ccccc1)NC(NC(=O)Nc1ccccc1)C(Cl)Cl 820664 SQTYCSVLMKYYOI-UHFFFAOYSA-N 367.236 3.760 50 50 FHGA O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)c(Cl)c1 1394344 AGVSMNZDBBPDBT-UHFFFAOYSA-N 374.227 3.859 50 50 FHGA CCOc1cc(C=NNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)ccc1O 252678949 HXJAIYPOVGPKRG-IAQYHMDHSA-N 371.264 3.832 50 50 FHGA CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C(c2ccccc2)=C[C@@H]1c1ccccc1 754089 CSMCOWPCFXDBHM-OFNKIYASSA-N 369.424 3.677 50 50 FHGA CCNc1nc(N)c(C(=C(C#N)C#N)c2ccc(Br)cc2)s1 1201178 ACWXCKLCCVMHSW-UHFFFAOYSA-N 374.267 3.769 50 50 FHGA Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 1001902 VPYBKGDBNOYRKD-HNNXBMFYSA-N 354.450 3.521 50 50 FHGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc2ccccc2c1 4567643 UNAVZGUPBFMGSV-PXLXIMEGSA-N 357.417 3.515 50 50 FHGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1233675 VEAJNZDYGLNDGD-HADWXUJASA-N 363.373 3.666 50 50 FHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 2761192 UQGBZFUHHNLLLK-OAHLLOKOSA-N 373.250 3.900 50 50 FHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 13369884 NIFRLTASLXGADK-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](O[C@H]2CCCCO2)C[C@@H]2OC(=O)C[C@@H]21 169876661 JJMNYDDYIZNLIX-QFXBJFAPSA-N 370.562 3.872 50 50 FHGA in-vitro N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccnc2ccccc12 6813969 DNBXZWZKOZXYQB-GOSISDBHSA-N 365.396 3.843 50 50 FHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1 1210155 WGJLDGXBPUWGKB-BUVRLJJBSA-N 367.412 3.698 50 50 FHGA CCCC[C@@H](CC)C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 1750112 XXQUQAAPEAGPDZ-CQSZACIVSA-N 354.878 3.699 50 50 FHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1 1227965 QJJMEIBAKNMHCW-CQSZACIVSA-N 366.339 3.740 50 50 FHGA Cc1cccc(NC(=S)NNC(=O)c2csc3c2CC[C@H](C)C3)c1 8581806 LUCANNOQYKZQNR-LBPRGKRZSA-N 359.520 3.813 50 50 FHGA Cc1c(/C=N/NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cnn1C 6413278 YOSZEMLMRFFSTK-DBRLUCFCSA-N 364.474 3.712 50 50 FHGA CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2O)sc(C)c1C 1218733 UQEBDAWXNJOECZ-NTEUORMPSA-N 370.430 3.793 50 50 FHGA CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1cccc2ccccc12 43761018 NSEMODZKWZPREZ-LCKYRVOGSA-N 371.440 3.775 50 50 FHGA C[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccc2c(c1)OCO2 1203775 BMWXJWMUBSRSRW-LVCXCXRVSA-N 361.401 3.519 50 50 FHGA O=C(COc1cccc(Br)c1)N/N=C/c1ccc(Cl)cc1 1209274 SQASESKFRKGUNJ-GIJQJNRQSA-N 367.630 3.632 50 50 FHGA COC(=O)[C@H]1C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H]([C@@H](C)O)[C@H]12 169833768 DHSFANSVVLOSMA-NCMUWALVSA-N 356.579 3.983 50 50 FHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)c1C 2899648 BIQDRRXQOOQFSY-AWQFTUOYSA-N 364.232 3.699 50 50 FHGA C[C@H]1CCc2c(C(=O)NNC(=S)N[C@H](C)c3ccccc3)csc2C1 2765201 HSACIVVPJNPQKP-QWHCGFSZSA-N 373.547 3.743 50 50 FHGA Cn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nc2ccccc21 945920 PXTZZPAGFLCHEM-LPYMAVHISA-N 374.469 3.969 50 50 FHGA CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CO1 169835346 YBVJZFJGIJSFFU-HXUWFJFHSA-N 354.566 3.988 50 50 FHGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 727798 QLVZNNXOWONKBB-UHFFFAOYSA-N 360.841 3.612 50 50 FHGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 2485480 PQYDQHXFSYFGPM-VFZGTOFNSA-N 359.223 3.510 50 50 FHGA Cc1ccc(OCC(=O)N/N=C\C(Br)=C\c2ccccc2)cc1 4989798 DPRYLGHIRHBNOD-NPPPXDBXSA-N 373.250 3.912 50 50 FHGA C/C(=N\NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(N)cc1 222155575 PWSIEBDMTRKFSV-FOKLQQMPSA-N 350.344 3.511 50 50 FHGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(N2Cc3ccccc3C2)cc1 656996 DIGNXLXITAEMAX-YDZHTSKRSA-N 357.413 3.676 50 50 FHGA N#Cc1ccc(NNC(=O)c2c(F)ccc(F)c2F)c(C(F)(F)F)c1 799746306 GEQHCPSNYJJMRA-UHFFFAOYSA-N 359.229 3.751 50 50 FHGA CN(C)C(C)(C)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCl 1875364963 ZNYHUOSATSADIR-UHFFFAOYSA-N 351.705 3.901 50 50 FHGA C[C@H](Cl)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 1875363729 VYEXXGBKDAOZJM-HNNXBMFYSA-N 353.853 3.842 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cncc(-c2ccc(F)cc2)c1 1425677 NZAPUIGNLAWDOB-LJQANCHMSA-N 361.376 3.702 50 50 FHGA C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@]2(O)C#N 253500077 VRSHJJXUDZAQKD-STHVQZNPSA-N 357.494 3.947 50 50 FHGA biogenic O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C/c1cccnc1 1215151 OJJGOTXWXFKZQJ-FBCYGCLPSA-N 358.612 3.571 50 50 FHGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 2820952 PQYDQHXFSYFGPM-RFAUZJTJSA-N 359.223 3.510 50 50 FHGA O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(F)c1 711497 QFAMAGFFPYSCTF-RGVLZGJSSA-N 353.309 3.758 50 50 FHGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 5574469 SZVKWNOFWMOSKL-HNNXBMFYSA-N 364.430 3.755 50 50 FHGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1n[nH]c2c1CCCC2 5354336 BBUABMKJNDPQDQ-OEAKJJBVSA-N 374.444 3.631 50 50 FHGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 714346 UDCMGZACIRXGNN-INIZCTEOSA-N 362.410 3.733 50 50 FHGA Cc1ccccc1NC(=O)NNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 798312804 MEFJQKDAUZPMTM-UHFFFAOYSA-N 370.409 3.667 50 50 FHGA COc1cc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC 2250622 ZQWQQSLRQAIEGI-KPKJPENVSA-N 355.306 3.584 50 50 FHGA C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)C#N)OCCO3 253502012 VRSHJJXUDZAQKD-RDWCLUPISA-N 357.494 3.947 50 50 FHGA O=C1CCC[C@@]2(O)OO[C@@]3(C=C12)CC1c2ccccc2C3c2ccccc21 101082288 YCCUIFDICOZDIJ-CEZGBXOASA-N 360.409 3.736 50 50 FHGA COc1ccc(C(=O)C(Br)C(=O)c2ccc(OC)cc2)cc1 100801972 GAFTWWMWCDHOJD-UHFFFAOYSA-N 363.207 3.533 50 50 FHGA O=C(COc1ccccc1Cl)N/N=C/c1ccccc1C(F)(F)F 2584796 MHIRFYLQTWQDGU-ZVBGSRNCSA-N 356.731 3.888 50 50 FHGA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H](C)Cl)CC2 1875364920 YBJKQKGESYFDQY-APPDUMDISA-N 365.882 3.867 50 50 FHGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Br)cs1 752545 MMAVVUIKNMQTRY-CPFSXVBKSA-N 365.252 3.571 50 50 FHGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 4997637 DUXWACNHZSPBGS-KRWDZBQOSA-N 358.401 3.612 50 50 FHGA COc1ccc(CCC(=O)NNC(=O)Nc2cccc3ccccc23)cc1 8117144 JZLJVEXNNWXATA-UHFFFAOYSA-N 363.417 3.634 50 50 FHGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccc(O)cc1 1298940 INZUMENFTOXRJQ-HZHRSRAPSA-N 361.445 3.766 50 50 FHGA BrCCOc1cc(Br)ccc1Br 15021497 GYEXZRRSPGQVFH-UHFFFAOYSA-N 358.855 3.985 50 50 FHGA O=C(N/N=C/c1ccccc1Cl)c1n[nH]c2c1CCc1ccccc1-2 5296778 PHINJHMIXDLVST-SRZZPIQSSA-N 350.809 3.593 50 50 FHGA CC(=C/c1ccccc1)/C=N/NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 43761061 ZHYGRGLMTRVDEC-YIQONTHZSA-N 353.378 3.568 50 50 FHGA CCOc1ccc(NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 5332941 COWJVBNRCRNSTH-UFFVCSGVSA-N 366.248 3.954 50 50 FHGA CN(C)c1ccc(/C=N/NC(=O)CSc2ccc3ccccc3n2)cc1 704646 NQFMEVDCEFLETA-FYJGNVAPSA-N 364.474 3.543 50 50 FHGA CC(C)c1ccc(OCC(=O)NNC(=O)Nc2ccccc2Cl)cc1 6347315 IPBSYGYYJSNEDV-UHFFFAOYSA-N 361.829 3.695 50 50 FHGA CCn1c2ccccc2c2ccc(/C=N/NC(=O)c3ccc(O)cc3O)cc21 671921 XPPAKUGLOKCFLI-YDZHTSKRSA-N 373.412 3.990 50 50 FHGA COc1ccc2c(c1)[C@H](NC(=O)[C@@H](F)Cl)CCN2C(=O)OC(C)(C)C 2325898269 YQRPKUSLRIGMAB-TZMCWYRMSA-N 372.824 3.532 50 50 FHGA CCc1ccc(NC(=S)NNC(=O)CSCc2ccccc2C)cc1 6394770 RJGMAWDVEWMKBJ-UHFFFAOYSA-N 373.547 3.808 50 50 FHGA CC(C)(C)N(NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)c1ccccc1 263639928 OTPFGTQCPNJZOW-UHFFFAOYSA-N 365.355 3.686 50 50 FHGA CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 2326088 OQKIIRSSYGGRQE-UDWIEESQSA-N 368.462 3.594 50 50 FHGA C/C=C1/C[N@+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14 245253778 PMVPZDGAMARLPF-OGPUIGBUSA-O 365.497 3.878 50 50 FHGA biogenic O=C(N/N=C/c1ccc(Br)cc1)c1ccc(Cl)cc1O 1231077 BPDAZXKGJSMFCH-CAOOACKPSA-N 353.603 3.572 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3)[nH]n2)cc1 5297718 QCEHCLDIOUBHDG-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA CCOc1ccc(C2=CC(C3CC3)=C(C#N)C(=C(C#N)C#N)N2)c(OCC)c1 1514675 BMMZMNFBEUGERZ-UHFFFAOYSA-N 372.428 3.960 50 50 FHGA Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2)cc1 4978218 YARNUEWJGCJUNS-FQEVSTJZSA-N 372.428 3.824 50 50 FHGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 4293279 IYWKJRIEDFQCLF-UFWORHAWSA-N 370.623 3.736 50 50 FHGA Clc1ccc(NC2=NC[C@H](CI)S2)cc1 690270 KSURQIDBPNDRGH-VIFPVBQESA-N 352.628 3.658 50 50 FHGA O=C(NNC(=O)c1cc(Cl)ccc1O)Nc1cccc(C(F)(F)F)c1 1121823 CQIPLCQVCLBZBW-UHFFFAOYSA-N 373.718 3.531 50 50 FHGA CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 8968912 JPDMCHVDQDBVRR-QGZVFWFLSA-N 350.443 3.967 50 50 FHGA COc1cccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)c1O 1288605 SZJGHJKOLYNITM-WSDLNYQXSA-N 361.401 3.590 50 50 FHGA Cc1ccc([C@@H]2C(C#N)=C(N)S[C@@H](c3ccccc3)[C@H]2[N+](=O)[O-])cc1 4625399 KBMHVFMSHPQZFZ-SQNIBIBYSA-N 351.431 3.906 50 50 FHGA Cc1nn(Cc2ccc(C(=O)N/N=C\c3ccccc3F)o2)c(C)c1Cl 4647098 ZKFQFLKKBRBYIN-NKVSQWTQSA-N 374.803 3.698 50 50 FHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccccc1F 4751299 XXFOQXKMNKICAH-SFHVURJKSA-N 352.365 3.970 50 50 FHGA C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 5021108 PFIVUVPFOSVBPJ-JMVLLECOSA-N 361.445 3.679 50 50 FHGA COc1ccc(Br)cc1C(=O)N/N=C/C=C/c1ccccc1 2388504 BWFMTDWOLOTWMP-CEGJKDKLSA-N 359.223 3.887 50 50 FHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 729233 FEKLRNGFXAVLKT-AWEZNQCLSA-N 366.339 3.740 50 50 FHGA CC1=C(C#N)C(=O)NC(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 32639109 MCMOMTONVLQPEV-RIYZIHGNSA-N 352.777 3.788 50 50 FHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CC[C@@]34O[C@@H]3C(=O)CC[C@@]14C[C@H]1O[C@@H]1C2 257359271 ZIIMGLGIENRQEF-SPRRPYHMSA-N 364.558 3.835 50 50 FHGA COc1ccc2c(c1)[C@@H](NC(=O)[C@H](F)Cl)CCN2C(=O)OC(C)(C)C 2325898267 YQRPKUSLRIGMAB-JSGCOSHPSA-N 372.824 3.532 50 50 FHGA Cc1ccc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)s1 814495 IOKUODUMUGHXGJ-GOSISDBHSA-N 362.458 3.756 50 50 FHGA O=C1c2ccccc2C(=O)C1(Cl)[C@H](Cl)c1ccc([N+](=O)[O-])cc1 1745171 AGHUIHFZNWUYCS-CYBMUJFWSA-N 350.157 3.932 50 50 FHGA CCCCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2OC)cc1 2900018 USUHMPSHIOYMAP-HYARGMPZSA-N 370.449 3.576 50 50 FHGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](C)Cn1cnc2ccccc21 2369411 GTDDMGYLVMIOKD-BMYBCIMUSA-N 359.433 3.612 50 50 FHGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccco1 3167091 JDEOOKWMPGUJQH-SITPEIFSSA-N 364.401 3.776 50 50 FHGA CCCc1cc(C(=O)NNC(=S)NCc2ccc(Cl)cc2)cs1 5041299 DHBNFQJYIXMSDZ-UHFFFAOYSA-N 367.927 3.663 50 50 FHGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccnc2ccccc12 6813964 DNBXZWZKOZXYQB-SFHVURJKSA-N 365.396 3.843 50 50 FHGA O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)Nc1ccccc1 779827 WOFYSDPNLPDPFH-FQEVSTJZSA-N 371.440 3.846 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)cc1 1831801 LPAJKNBBZRICPD-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA O=C(N/N=C/c1ccncc1)c1sccc1OCc1ccc(F)cc1 1403586 LAPDOTPPPDQRQY-SRZZPIQSSA-N 355.394 3.625 50 50 FHGA N#Cc1ccc(OCc2ccc(/C=N/NC(=O)C3CCCCC3)o2)cc1 681636 MXHRGIZBDDMRDK-LPYMAVHISA-N 351.406 3.761 50 50 FHGA CCCCCCCCCCCC(=O)NNC(=S)NC[C@H]1CCCO1 97941887 SFFISBUBVZSOTC-MRXNPFEDSA-N 357.564 3.582 50 50 FHGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1228727 KFPYOKZJYMQCAQ-LEWJYISDSA-N 356.425 3.918 50 50 FHGA C[C@H](Cl)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 74941389 AFMOCRQNUQSDMO-LBPRGKRZSA-N 359.882 3.744 50 50 FHGA O=C(NN=C1CCCCC1)c1ccc(C(=O)NN=C2CCCCC2)cc1 1229878 WPHWZPXRTNENRI-UHFFFAOYSA-N 354.454 3.786 50 50 FHGA CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1O 245241767 OJQPHECJQXZWNS-UHFFFAOYSA-N 370.449 3.618 50 50 FHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 2566378 SXHKASLHFIMNQN-KEBDBYFISA-N 364.232 3.645 50 50 FHGA CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCl)[C@@H](c2ccccc2)CC1 1875376940 NSDHJWWYHWXMED-HZPDHXFCSA-N 366.889 3.525 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 752471 WZYSCZRWRMYDJK-FOIQADDNSA-N 358.397 3.601 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)COc1cccc(Cl)c1Cl 4327401 ADHRRLXGNBLQIM-KEBDBYFISA-N 367.232 3.921 50 50 FHGA C/C(=N\NC(=O)c1ccc(C)s1)c1cccc(NC(=O)C2CCC2)c1 5795624 STDOCUXJMMTPJZ-FYJGNVAPSA-N 355.463 3.949 50 50 FHGA COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2s1 716826 DZQJZGHWWGJNLW-VCHYOVAHSA-N 357.460 3.547 50 50 FHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3sccc3C)[nH]n2)cc1 5297739 AFNYLVBNFBLZLO-YBFXNURJSA-N 354.435 3.609 50 50 FHGA C[C@H](Cl)C(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 1875364751 SLCSISREMAXNJC-DZGCQCFKSA-N 362.823 3.527 50 50 FHGA CCOc1ccc(-c2[nH]nc(C(=O)N/N=C(\C)c3ccccc3)c2C)cc1 9331636 NTXOFHDHHLIAPH-PXLXIMEGSA-N 362.433 3.938 50 50 FHGA N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N1CCCCC1 1202945 CNPKCAOLXKGOHU-OWBHPGMISA-N 351.362 3.774 50 50 FHGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(C)s2)n[nH]1 18148595 IDCHGBLJICGLMV-YVUBOPQPSA-N 366.446 3.884 50 50 FHGA Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc(F)c(Cl)c2)cc1 13322178 JPRSDTJOARMQIK-KBPBESRZSA-N 361.804 3.744 50 50 FHGA CC(C)(C)OC(=O)NN=Cc1cccc(OC(=O)/C=C\c2ccco2)c1 252678867 GWYPAWZQJIFVDB-YVBIYKSWSA-N 356.378 3.757 50 50 FHGA C[C@H](Cl)C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F 1875364245 JZMYVDFCGCYZOU-LBPRGKRZSA-N 366.795 3.559 50 50 FHGA CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 5130443 DUMBEZRCZZCZLR-LBPRGKRZSA-N 373.254 3.688 50 50 FHGA Cc1cc(CNC(=O)CCl)ccc1N(C(=O)OC(C)(C)C)C1CC1 1875364664 PRCYHCZKQBPSQP-UHFFFAOYSA-N 352.862 3.754 50 50 FHGA COc1ccccc1[C@@H]1CC(=O)NC(SCc2ccccc2)=C1C#N 706665 HIRHNJSMJWDDON-INIZCTEOSA-N 350.443 3.967 50 50 FHGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(C2CC2)nc2ccccc12 1259855 CVFJKNRPSYKSEG-SSDVNMTOSA-N 359.385 3.605 50 50 FHGA Cc1cc(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)c(C)s1 5490407 NOGWYDQDPPVXRE-HNNXBMFYSA-N 364.430 3.679 50 50 FHGA BrCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169817699 ZWMWWVYRPVIFKI-UHFFFAOYSA-N 367.362 3.552 50 50 FHGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 4282590 PJTHZOHVWLAUSE-FYJGNVAPSA-N 373.840 3.608 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1)c1ccccc1O 17138583 BLWLPHWGGFAPJF-GIJQJNRQSA-N 360.826 3.651 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1Cc1ccccc1 856094 RRKVXVLDSGQSKX-QZTJIDSGSA-N 356.425 3.970 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccncc1 946769 GQESGRQQVADBMS-HZHRSRAPSA-N 361.449 3.824 50 50 FHGA CC1=C(C#N)[C@H](c2ccccc2F)C(C(=O)OCc2ccccc2)=C(N)O1 994155 KQZOKJBISRRLJB-SFHVURJKSA-N 364.376 3.651 50 50 FHGA COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 752426 XAECUTLJNKDJEN-IIBYNOLFSA-N 372.424 3.904 50 50 FHGA O=C(N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccco1 6885318 ZMXNFOIWCBYKGE-OEAKJJBVSA-N 370.412 3.955 50 50 FHGA COc1ccc(/C=C(\C#N)C(=O)NC(=O)Nc2cccc(Cl)c2)cc1 1085629 XFCLXSPPWAUTBD-UKTHLTGXSA-N 355.781 3.604 50 50 FHGA CC(=C/c1ccccc1)/C=N/NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 43761034 VQGLJFCBUIIDNT-YIQONTHZSA-N 353.378 3.568 50 50 FHGA O=C(OCCSSc1ccccn1)Oc1ccc([N+](=O)[O-])cc1 113178088 JHDROZPIXZYTMZ-UHFFFAOYSA-N 352.393 3.946 50 50 FHGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1 2325809523 FFCQKEMQSFPTJH-XDHOZWIPSA-N 359.223 3.778 50 50 FHGA COc1cc(/C=C(\C#N)C(N)=O)ccc1OCCSc1ccc(C)cc1 2964787 UVBPMKOAUYABBF-LFIBNONCSA-N 368.458 3.567 50 50 FHGA COc1ccc(CCC(=O)NNC(=O)Nc2ccc(C(C)C)cc2)cc1 6346679 DXDOXWWCBGHNOD-UHFFFAOYSA-N 355.438 3.604 50 50 FHGA COc1ccc(NC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 8157630 DYKXNVMOGCZVAD-UHFFFAOYSA-N 361.401 3.829 50 50 FHGA Cc1cccc(C)c1NC(=O)NNC(=O)c1sccc1-n1cccc1 1394328 OYYTVCSSWYMSRN-UHFFFAOYSA-N 354.435 3.622 50 50 FHGA Cc1ccc(NC(=O)NNC(=O)COc2cccc3ccccc23)cc1C 13322176 KCCLARXHTKLZLB-UHFFFAOYSA-N 363.417 3.688 50 50 FHGA C[C@@H]1C[C@H](P(c2ccccc2)c2ccccc2)OB(c2ccccc2)O1 195803510 QLXAORCNSGXDJH-GCJKJVERSA-N 360.202 3.666 50 50 FHGA O=C1OC(=O)[C@]23Cc4ccccc4C[C@]12C[C@H]1Cc2ccccc2C[C@@H]1C3 230122147 IQIBRSZRBYIBNJ-DVJXIFHOSA-N 358.437 3.666 50 50 FHGA CCCCCCCCCCCCS(=O)(=O)CCSS(=O)(=O)O 100299697 IMHBHMANEOPUIJ-UHFFFAOYSA-N 374.590 3.858 50 50 FHGA O=C1c2ccccc2C[C@@H]2C[C@H](Br)[C@@H](Br)C[C@@H]12 101812078 GPSVPJIXKBATCI-XEZLXBQYSA-N 358.073 3.979 50 50 FHGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(-n2cccc2)cc1 2807501 SJCFCRIJUFAWSX-SRZZPIQSSA-N 367.792 3.623 50 50 FHGA CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NCc2cccs2)cc1 6627374 CMRNTORIMCSVHC-MHWRWJLKSA-N 362.458 3.924 50 50 FHGA O=C(CBr)c1cc(Br)c(F)c(Br)c1 263625092 WRLHLYUUWVZCLC-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2Cl)cc1C 6215670 OJNILLWQYOQYPQ-CIAFOILYSA-N 357.841 3.826 50 50 FHGA O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Br)cc1 2022297 PXVSILKUOOKWFV-UHFFFAOYSA-N 369.218 3.677 50 50 FHGA in-vitro C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 5010256 ODJLBVYWXFDSGS-LFVJCYFKSA-N 362.404 3.602 50 50 FHGA CCC(Cc1ccccc1)=NNC(=O)CCC(=O)Nc1ccc(OC)cc1 245240315 PBNUOZNYYQDHNG-UHFFFAOYSA-N 367.449 3.539 50 50 FHGA O=C(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 22011955 PBAAKBQGBSUCTG-UHFFFAOYSA-N 350.168 3.751 50 50 FHGA COc1cccc([C@@H]2C(C#N)=C(N)S[C@@H](c3ccccc3)[C@H]2[N+](=O)[O-])c1 35352918 DWDZUKHJSOSLGF-SQNIBIBYSA-N 367.430 3.606 50 50 FHGA C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 17075176 OBHXRPKUDCRVCJ-VXLYETTFSA-N 366.204 3.985 50 50 FHGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2ccc(F)cc2)CCCC1 732111841 MMYCTBCFBYDGRV-UHFFFAOYSA-N 366.396 3.831 50 50 FHGA O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)[C@H](O)c1ccccc1 805095 VXEFJNCMMRQYEO-AGKWGAAGSA-N 354.793 3.784 50 50 FHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(F)(F)F)cc1 1231696 PSJVHLQRHYUFDB-KRWDZBQOSA-N 359.351 3.990 50 50 FHGA CCCCNC(=O)NNC(=O)c1sc2cccc(Cl)c2c1Cl 2764353 QHCAARJWUIEJCW-UHFFFAOYSA-N 360.266 3.952 50 50 FHGA C=CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1 2839116 BWGBCEYJIMUNGW-HADWXUJASA-N 358.825 3.822 50 50 FHGA CSc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 2969451 KXFYNIFKXOYNFI-FYJGNVAPSA-N 369.490 3.894 50 50 FHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)o1 6420848 KCXZHUIZCGJVFQ-GIJQJNRQSA-N 373.210 3.505 50 50 FHGA N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@@H]2[C@H]1c1ccc(Cl)s1 4453599 BYKPRBQZBLKASR-HZMBPMFUSA-N 358.879 3.558 50 50 FHGA CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nc2ccccc21 8654253 PEADDKYTZAKYAI-DYTMQZIQSA-N 364.474 3.964 50 50 FHGA CCCOc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1OCC 2901064 DTBYWZOMKVUBGV-INKLHFNDSA-N 370.449 3.712 50 50 FHGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)[C@H]1CC1(c1ccccc1)c1ccccc1 252427653 AZKGMFBPXAUNBU-MHTWAQMVSA-N 374.484 3.576 50 50 FHGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1 2892292 LKHMOSCRLWTBCC-CIAFOILYSA-N 351.793 3.582 50 50 FHGA O=C(CBr)c1c(Br)ccc(F)c1Br 263625142 XDJMKMHTYKTFLS-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA C=CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cl 2837728 XIAQQOHKMRLQAD-KRWDZBQOSA-N 356.809 3.720 50 50 FHGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 4953948 TZRZPUYHOCHHNN-BUVRLJJBSA-N 367.412 3.903 50 50 FHGA Cc1scc(C(=O)NN=C2CCN(CCc3ccccc3)CC2)c1C 55048407 NGMCGOGNAHOUFV-UHFFFAOYSA-N 355.507 3.789 50 50 FHGA COc1ccc(/C(C#N)=C/c2ccc(N3CCOCC3)cc2)cc1OC 23634352 QDSHPZXXYWSSGP-QGOAFFKASA-N 350.418 3.605 50 50 FHGA COc1cccc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)c1 9088703 IQWHGCVZKDVBKZ-QGZVFWFLSA-N 350.443 3.967 50 50 FHGA Cc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 940935 LJFRXNJBRBRASW-UHFFFAOYSA-N 360.413 3.502 50 50 FHGA aggregator CCn1c(SCC(=O)N/N=C(\C)c2cccs2)nc2ccccc21 946010 QVJRYEBNSNSLMS-XDHOZWIPSA-N 358.492 3.750 50 50 FHGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2cccc(F)c2)CCCC1 732111767 KHIZOBJUSVYTPB-UHFFFAOYSA-N 366.396 3.831 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc(F)cc1 1429243 OCQOJEMSRGSBCQ-OAHLLOKOSA-N 350.374 3.619 50 50 FHGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 3101592 QFNHCOYGUAKCQS-KGENOOAVSA-N 364.426 3.660 50 50 FHGA O=c1ccc2c([C@@H](O)CBr)ccc(OCc3ccccc3)c2[nH]1 77032083 GNFMSZCSSUZAGV-HNNXBMFYSA-N 374.234 3.535 50 50 FHGA in-vitro Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2)c1 2573624 OIHNHPLHSVZYNB-OEAKJJBVSA-N 374.396 3.684 50 50 FHGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Br)c2)C=C1C1CC1 632656 DBQCQDQIIMMFQC-MRXNPFEDSA-N 365.234 3.653 50 50 FHGA COc1ccccc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(C)cc1 17073940 XBOUERPQTZSOFG-WJDWOHSUSA-N 358.401 3.939 50 50 FHGA Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H](C)Cl)c(C(F)(F)F)c2)n1 1875364924 YEIXARYMAGBFKI-LLVKDONJSA-N 359.779 3.751 50 50 FHGA COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 3023482 QFWQNQGPBZRKJU-HZHRSRAPSA-N 360.413 3.891 50 50 FHGA Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)S(=O)(=O)c1ccccc1 1119792 IAZLUNLLYNSRQQ-CPNJWEJPSA-N 363.442 3.828 50 50 FHGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 5044925 AOFWJNIIMXCCRC-LBPRGKRZSA-N 373.254 3.688 50 50 FHGA CC(=NNC(=O)[C@H](C)Nc1cccc(Br)c1)c1ccccc1 245239385 IHFAPEZNXXGKAT-ZDUSSCGKSA-N 360.255 3.790 50 50 FHGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccc(Br)c1 677407 NRKJXABPRFAMDK-KEBDBYFISA-N 356.223 3.623 50 50 FHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 728146 FWXXVTLSKKQWSC-QGZVFWFLSA-N 370.250 3.733 50 50 FHGA Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc(F)c(Cl)c2)cc1 13322180 JPRSDTJOARMQIK-KGLIPLIRSA-N 361.804 3.744 50 50 FHGA N#Cc1ccc(NNC(=O)c2cc(F)c(F)cc2F)c(C(F)(F)F)c1 799747473 CAMGOYZBRXCLLF-UHFFFAOYSA-N 359.229 3.751 50 50 FHGA N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(Br)cc1 5092784 RCXZTYORGXAGQA-KAMYIIQDSA-N 359.223 3.943 50 50 FHGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1 4259890 JCHRGWYHMLUYMJ-UFWORHAWSA-N 370.623 3.736 50 50 FHGA CC(C)C[C@@H]1C[C@](C)(c2csc(NNC(=O)c3ccccc3)n2)OC1=O 819891 SUGQVMVKDZYGDL-AUUYWEPGSA-N 373.478 3.724 50 50 FHGA Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2 1513748 AEZZSHNKKXBPBY-UHFFFAOYSA-N 355.397 3.748 50 50 FHGA C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccc(C)o2)cc1 5754324 DMCZPRVZIFGIOE-XKZIYDEJSA-N 365.389 3.896 50 50 FHGA O=C(CBr)c1ccc(F)c(Br)c1Br 263622929 CELMNIZTVPBIJZ-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1233677 VEAJNZDYGLNDGD-CNRHGSOZSA-N 363.373 3.666 50 50 FHGA COc1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1Cl 1214856 KMGBKPYSALWTIL-SRZZPIQSSA-N 355.781 3.768 50 50 FHGA C=CCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OCC 2851424 NGOATQXIVZAQKH-QGOAFFKASA-N 369.442 3.988 50 50 FHGA COc1ccc([C@@H]2N=C(N3CCc4ccccc43)SC(N)=C2C#N)cc1 20060063 FYMVVTSMBZDORC-SFHVURJKSA-N 362.458 3.596 50 50 FHGA O=C(N/N=C/c1ccc(OCc2cnc(Cl)s2)cc1)c1ccncc1 1406051 UGCVCPZPXFXGRD-ZVBGSRNCSA-N 372.837 3.534 50 50 FHGA CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C(Cl)Cl 1425730 WCZAOPBDRRFDLO-UHFFFAOYSA-N 361.250 3.832 50 50 FHGA O=C(Cn1cnc2ccccc21)N/N=C/c1cccc(Oc2ccccc2)c1 945590 ZTLNDIXCMNMHEN-ZVHZXABRSA-N 370.412 3.979 50 50 FHGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 4366717 JOZDNLZYPDXDDT-OBRKLCKPSA-N 353.378 3.568 50 50 FHGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccccc1F 1428055 MWDHHRDHHBEHTC-CQSZACIVSA-N 358.394 3.591 50 50 FHGA COc1cccc(/C=N/NC(=O)[C@@H](C)Nc2cccc3ccccc23)c1O 1204419 LTXIQEIVFOBIDV-CYGNYLSHSA-N 363.417 3.505 50 50 FHGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 4372918 NYOGCJPKMFFCAU-RGVLZGJSSA-N 355.394 3.556 50 50 FHGA O=C1OC(=O)[C@]23Cc4ccccc4C[C@]12C[C@@H]1Cc2ccccc2C[C@H]1C3 104188485 IQIBRSZRBYIBNJ-NVXDSCFRSA-N 358.437 3.666 50 50 FHGA Cc1ccccc1NCC(=O)N/N=C\C(Br)=C\c1ccccc1 4982011 XZZIGJLEBBGFLX-UZNBDGRHSA-N 372.266 3.945 50 50 FHGA C=CCOc1ccccc1CN(C(=O)CCl)c1ccc2c(c1)OCO2 3333298 QQPZDSQLEDTJRI-UHFFFAOYSA-N 359.809 3.752 50 50 FHGA N#C/C(=C\c1ccc(Br)s1)S(=O)(=O)c1ccccc1 2858894 MXBMKANMCUFDGE-XYOKQWHBSA-N 354.250 3.849 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1cccc(O)c1 5317601 RBZDVCZRMYEHFR-RGVLZGJSSA-N 354.797 3.590 50 50 FHGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(SC)cc2)C(C#N)=C(N)O1 752586 KWIBAVZMAFAHMD-MRXNPFEDSA-N 358.463 3.833 50 50 FHGA COCCOC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)c2ccccc12 5738296 IXQOYWUOQXYANR-AQTBWJFISA-N 360.413 3.786 50 50 FHGA Cc1ccccc1OCC(=O)N/N=C/c1cc2ccccc2nc1Cl 1228150 YIPOIQBGZJYIHL-SRZZPIQSSA-N 353.809 3.726 50 50 FHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)o1 8558575 ZXMANXKAXWGEMM-GIJQJNRQSA-N 373.210 3.505 50 50 FHGA CC(C)N(Cc1ccc(NC(=O)[C@@H](F)Cl)cc1)C[C@H]1CCCCO1 2325898389 ABQSKSBQSVSYNJ-IAGOWNOFSA-N 356.869 3.939 50 50 FHGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1n[nH]c2c1CCCC2 5403354 NVQAVACVYQQYCN-HYARGMPZSA-N 360.417 3.845 50 50 FHGA CCCCCCCCCCCCNC(=O)c1ccc(B(O)O)c(Cl)c1 169744170 RTQCKAVGDAYNQL-UHFFFAOYSA-N 367.726 3.671 50 50 FHGA CC(C)n1ncc2c(C(=O)NNc3ncccc3Cl)cc(C3CC3)nc21 114883899 IMPLUSIKEFZZHU-UHFFFAOYSA-N 370.844 3.695 50 50 FHGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)[nH]n1 5319128 YUDMDQWSCUCRNE-YDZHTSKRSA-N 373.416 3.721 50 50 FHGA CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OCC)c2)cc1 5023597 IHKPEHANUJQEPT-PTNGSMBKSA-N 352.390 3.735 50 50 FHGA N#Cc1ccc(NNC(=O)c2ccc(O)c(Cl)c2)c(C(F)(F)F)c1 799746517 BCSWFKCWRYEKMY-UHFFFAOYSA-N 355.703 3.693 50 50 FHGA CCN(CC)[C@@H](CNC(=O)[C@@H](C)Cl)c1ccc(C(F)(F)F)cc1 1875364905 XXKYKJVXTXJZFT-RISCZKNCSA-N 350.812 3.832 50 50 FHGA CCOc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 1402173 CLIUCKAANZFCHZ-IBGZPJMESA-N 352.434 3.918 50 50 FHGA Cc1ccc(-n2c(Cl)nc(Cl)c2/C=N/NC(=O)c2ccncc2)cc1 1857799536 JDSHYSGYHBABQD-UFFVCSGVSA-N 374.231 3.646 50 50 FHGA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 2578133 LJSZSQVPHABSGJ-BDAKNGLRSA-N 363.628 3.757 50 50 FHGA CC(=C/c1ccccc1)/C=N/NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 43761035 VQGLJFCBUIIDNT-SVRPEPRISA-N 353.378 3.568 50 50 FHGA COc1cc(C2C(C#N)=C(C)NC(C)=C2C#N)cc(Br)c1OC 628497 RPOJYIPHUMXISJ-UHFFFAOYSA-N 374.238 3.748 50 50 FHGA CCn1c(SCC(=O)N/N=C(/C)c2ccccc2)nc2ccccc21 5044847 PEUFSVQCPXUJOO-STZFKDTASA-N 352.463 3.689 50 50 FHGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 5653103 IOBJPWBQOFLKKO-FYJGNVAPSA-N 373.840 3.608 50 50 FHGA OB(O)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2 169744813 WDDLHUWVLROJLA-UHFFFAOYSA-N 360.221 3.710 50 50 FHGA in-vitro CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(CC)cc3)n[nH]2)cc1 867918 VPZDTAAGFXGALM-HYARGMPZSA-N 362.433 3.802 50 50 FHGA Cc1ccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)c(C)c1 6400368 VMFFBUJATMMHRE-UHFFFAOYSA-N 365.861 3.656 50 50 FHGA ICCCCCCC#CCO[C@@H]1CCCCO1 135952016 GHJVCXXIEDQZOW-AWEZNQCLSA-N 350.240 3.919 50 50 FHGA in-vitro CC(=O)c1csc(C(=O)NNc2ccc(Br)c(C)c2)c1 114889115 FEYXSESFIALPJY-UHFFFAOYSA-N 353.241 3.779 50 50 FHGA O=C(N/N=C/c1cccc(Cl)c1)C(O)(c1ccccc1)c1ccccc1 1083242 LDJOLBRGPYRZHQ-HZHRSRAPSA-N 364.832 3.726 50 50 FHGA ICCCCCCC#CCO[C@H]1CCCCO1 135952051 GHJVCXXIEDQZOW-CQSZACIVSA-N 350.240 3.919 50 50 FHGA in-vitro Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 994239 PTTSXPZHINUDJL-MDBUFAAASA-N 361.239 3.675 50 50 FHGA CC1CCC(=NNC(=O)c2ccccc2I)CC1 4366400 BOQYMFVUTFZOLP-UHFFFAOYSA-N 356.207 3.587 50 50 FHGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccs2)[nH]n1 4953964 FOKQVOYQOQAHJO-XDHOZWIPSA-N 354.435 3.691 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cncc(-c2ccc(F)cc2)c1 1425676 NZAPUIGNLAWDOB-IBGZPJMESA-N 361.376 3.702 50 50 FHGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 867800 RBEVGFUOIKAQRV-AWQFTUOYSA-N 360.204 3.542 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(F)cc1F 718026 OHJYOFIZSVREOV-MLCYQJTMSA-N 368.339 3.766 50 50 FHGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(C)c(C)c2)cc1 6400662 HNAADCBNPQMNGL-UHFFFAOYSA-N 373.547 3.863 50 50 FHGA C/C(=N/NC(=O)[C@H](C)Nc1ccccc1)c1ccc(Br)cc1 230141622 WPFFRMHORHGYRE-RQZLXBNYSA-N 360.255 3.790 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)cc1 1190000 UTIRFOOGHZODFJ-WSDLNYQXSA-N 373.416 3.639 50 50 FHGA O=C(C(Cl)Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1171703 CACAJUQRTFDEJT-UHFFFAOYSA-N 363.288 3.724 50 50 FHGA CC(/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2)=C\c1ccccc1 5296942 XPNCHCDCLKJIPF-SZHYUCCRSA-N 356.429 3.994 50 50 FHGA O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccc(C(F)(F)F)cc1 4002910 VTSPPJLOCLSCNX-FOKLQQMPSA-N 358.323 3.859 50 50 FHGA CCCCOc1ccc(C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1 2851499 HFPQDQIWOGRJJA-UHFFFAOYSA-N 363.364 3.610 50 50 FHGA COc1cccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccccc3)[nH]n2)c1 5009438 LYFDLBPEHCDEST-IHMLAUIBSA-N 360.417 3.904 50 50 FHGA O=C(NNC(=O)c1ccc(O)cc1)Nc1ccc(Cl)cc1C(F)(F)F 2143632 KWWSSYWMNXQOJC-UHFFFAOYSA-N 373.718 3.531 50 50 FHGA O=C(CCn1cnc2ccccc21)N/N=C/c1c(Cl)cccc1Cl 2686160 FBZQNQGWOHFXCI-UFFVCSGVSA-N 361.232 3.884 50 50 FHGA O=C(NNC(=S)Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 13555154 NURLVWCSCJBVNO-HUUCEWRRSA-N 363.845 3.600 50 50 FHGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 727866 PQYDQHXFSYFGPM-PSLIRLAXSA-N 359.223 3.510 50 50 FHGA O=C(N/N=C/c1ccccn1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 13331864 UVLMFHYFQRBZRM-QGMBQPNBSA-N 360.782 3.622 50 50 FHGA Clc1ccc(NC2=NC[C@@H](CI)S2)cc1 690268 KSURQIDBPNDRGH-SECBINFHSA-N 352.628 3.658 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1 752516 WAOSBWQJHRFISR-AWEZNQCLSA-N 353.205 3.638 50 50 FHGA COc1ccc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1 1189080 RGOKSNSZZOBQBO-ZVHZXABRSA-N 371.440 3.979 50 50 FHGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2C[C@@H](CC(C)(C)C)CC3)cc1 5295943 WZYIJJDWQOBBGY-NSMHLIOHSA-N 368.481 3.723 50 50 FHGA CCCOc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1 5634008 YQOYMPVNHBCVNY-OEAKJJBVSA-N 374.444 3.728 50 50 FHGA O=C(CCc1ccccc1)NNC(=S)Nc1cccc(Cl)c1Cl 6829463 KNVLIJAQPBSYMZ-UHFFFAOYSA-N 368.289 3.944 50 50 FHGA CC(C)C[C@@H]1C[C@@](C)(c2csc(NNC(=O)c3ccccc3)n2)OC1=O 819893 SUGQVMVKDZYGDL-KUHUBIRLSA-N 373.478 3.724 50 50 FHGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 867753 SPFWLDXOOIHNDM-CIAFOILYSA-N 368.824 3.893 50 50 FHGA COc1ccc(OCc2ccc(/C=N/NC(=O)C3CCCCC3)o2)cc1 673036 HISNKHVTAVYJBQ-FYJGNVAPSA-N 356.422 3.898 50 50 FHGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1 1230041 KOTCOPMZIOXJCI-UHFFFAOYSA-N 364.832 3.933 50 50 FHGA CCOC(=O)[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100006353 RCMRLMJSJGLGEU-LJQANCHMSA-N 363.417 3.932 50 50 FHGA CCC(Cc1ccccc1)=NNC(=O)C(=O)Nc1ccc(Cl)cc1C 245238828 BLILTGYMDXQKBI-UHFFFAOYSA-N 357.841 3.712 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 752472 WZYSCZRWRMYDJK-MGPUTAFESA-N 358.397 3.601 50 50 FHGA N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(Cl)cc1Cl)OCO3 798092 JJEIQCOBPZSPRS-MRXNPFEDSA-N 361.184 3.940 50 50 FHGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 3903129 AQNLHDXCMKKRBV-CQBCOIIOSA-N 360.417 3.823 50 50 FHGA O=C(N/N=C/c1ccc[nH]1)c1cc(-c2ccccc2O)nc2ccccc12 6885963 CTUFTSQFPJNREP-YDZHTSKRSA-N 356.385 3.699 50 50 FHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)[nH]n2)cc1 9709574 IETRGHWCEJZVDI-CIAFOILYSA-N 368.824 3.893 50 50 FHGA COc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1C 818656 LKQVBDCXSKRDEO-GOSISDBHSA-N 352.434 3.763 50 50 FHGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1 9363657 LEWATTXVXGPOHK-LPYMAVHISA-N 362.433 3.745 50 50 FHGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccco1 3167096 JDEOOKWMPGUJQH-CAUNFOBBSA-N 364.401 3.776 50 50 FHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 623077 IATUWHXKLLWPJN-HNNXBMFYSA-N 373.250 3.900 50 50 FHGA C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 676307 QRKLTBIOUJIKMZ-JYQBEENSSA-N 362.216 3.783 50 50 FHGA O=C(CSCc1ccccc1Cl)NNC(=S)Nc1ccccc1 2877886 TULIQJIURJOSMC-UHFFFAOYSA-N 365.911 3.591 50 50 FHGA Cc1cc2nc(/C(C#N)=C\c3cc4c(cc3[N+](=O)[O-])OCO4)[nH]c2cc1C 4810708 JQSOVBLMQOXHSM-ACAGNQJTSA-N 362.345 3.881 50 50 FHGA C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 105624222 GMECDSONWHNXFI-NOCFGBSFSA-N 366.417 3.921 50 50 FHGA Cc1cc(OCC(=O)NNC(=S)Nc2ccccc2)ccc1C(C)C 3122010 OYDSOTKYQUAGTB-UHFFFAOYSA-N 357.479 3.515 50 50 FHGA Cc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 797576692 BFBSABZIYUZBKU-VQTJNVASSA-N 359.429 3.648 50 50 FHGA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H](Cl)[C@H]2Cl 104265885 HVDYUTDWJCDTJP-FLMVNYLGSA-N 360.879 3.862 50 50 FHGA O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C[C@H]1c1ccccc1 2325904069 SQDMYKGFSYZNCQ-SFHVURJKSA-N 363.288 3.964 50 50 FHGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1 4303247 PAXHPQKXRRYBFZ-PXLXIMEGSA-N 359.385 3.568 50 50 FHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 999223 SPEHHGKJHCILHQ-HXUWFJFHSA-N 372.428 3.716 50 50 FHGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)n1 730073 URTKRNYKGMCIRH-CNHKJKLMSA-N 369.277 3.643 50 50 FHGA C[C@H]1CCc2c(C(=O)NNC(=S)N[C@@H](C)c3ccccc3)csc2C1 2765199 HSACIVVPJNPQKP-STQMWFEESA-N 373.547 3.743 50 50 FHGA O=C(N/N=C/c1cccc(Br)c1)c1ccc2ccccc2n1 822013 QPJLIRYKTNTPQG-YBFXNURJSA-N 354.207 3.761 50 50 FHGA C[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccc2c(c1)OCO2 1203771 BMWXJWMUBSRSRW-OFJBCHTGSA-N 361.401 3.519 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1)c1ccc(O)cc1 4953951 FWTPAUAYOHXWPR-GIJQJNRQSA-N 360.826 3.651 50 50 FHGA CCc1ccc(NC(=O)NNC(=O)COc2cccc3ccccc23)cc1 8086337 LQIDGUPXAWCXGX-UHFFFAOYSA-N 363.417 3.634 50 50 FHGA COc1cc(C)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1C 1228329 KOQWAFIFXYYRHH-SFHVURJKSA-N 374.396 3.637 50 50 FHGA N#CC1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@H]1c1ccccc1F 4751288 IYBHCTDHAYRHLQ-KRWDZBQOSA-N 374.400 3.600 50 50 FHGA Cc1ccc(CSCC(=O)NNC(=S)Nc2cc(C)cc(C)c2)cc1 6400650 QEWVOQDCDMYTQY-UHFFFAOYSA-N 373.547 3.863 50 50 FHGA Cc1cccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1O 30840581 ZNVFSBOWWJSZOH-UCQKPKSFSA-N 360.413 3.897 50 50 FHGA Cc1cccc(OCCN(Cc2cc(F)cc(C#N)c2)C(=O)CCl)c1 1875383854 FWEANCWIGUXTIF-UHFFFAOYSA-N 360.816 3.652 50 50 FHGA BrCC1(CBr)COC(c2ccccc2)OC1 100054854 VGUUZSMFETVOJZ-UHFFFAOYSA-N 350.050 3.508 50 50 FHGA in-vitro O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1 4372822 OBKXDVRCRSLWCP-CAOOACKPSA-N 353.603 3.572 50 50 FHGA Oc1ccc(O)c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 60232508 YCXVHURLDBUOMW-UHFFFAOYSA-O 371.396 3.717 50 50 FHGA O=C(CBr)c1cc(Br)c(F)cc1Br 263624214 OKEXSVSCJVEXQR-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA O=C(CBr)c1cc(Br)cc(F)c1Br 263625354 ZDFOAFCSIZQGHY-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA O=C(c1ccc(Br)cc1)C(Br)Br 942489 KFTUNOVZJWIKFX-UHFFFAOYSA-N 356.839 3.748 50 50 FHGA in-vitro CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 1196736 JKIYFKGITQMOOR-PXLXIMEGSA-N 361.449 3.687 50 50 FHGA CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C(c2ccccc2)=C[C@H]1c1ccccc1 19300131 CSMCOWPCFXDBHM-REWPJTCUSA-N 369.424 3.677 50 50 FHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3)c2)cc1 657505 ASFRNIFVNFDWQJ-HZHRSRAPSA-N 374.396 3.678 50 50 FHGA CC(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 1475182 KBBULZWLUQXTEO-RGVLZGJSSA-N 352.463 3.929 50 50 FHGA CCCC[C@H](CC)C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 1750114 XXQUQAAPEAGPDZ-AWEZNQCLSA-N 354.878 3.699 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccc(F)c1 2503661 SSTTZJHBVVRJTG-SGTLLEGYSA-N 350.349 3.627 50 50 FHGA Nc1ccc(C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)cc1 40451253 GEKVSQIMIVPIQR-HNNXBMFYSA-N 352.217 3.959 50 50 FHGA O=C(N/N=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 4989769 VIGFOYVZTRSHHR-BKXTUGJOSA-N 374.194 3.786 50 50 FHGA COC(=O)/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100016730 ZXBTZXOFZBTFSO-WOJGMQOQSA-N 361.401 3.710 50 50 FHGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccc(/C=N/O)c(F)n2)C1 169794012 WOTVVABGCQKFMF-BUESGFEBSA-N 353.514 3.877 50 50 FHGA in-vitro COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C(\C)c2ccco2)[nH]n1 5125791 SJVIQLBBFCKSLQ-LPYMAVHISA-N 374.400 3.986 50 50 FHGA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 6219630 LJSZSQVPHABSGJ-RKDXNWHRSA-N 363.628 3.757 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3Cl)[nH]n2)cc1 4950903 VUYSCGUJCIHKSD-UFFVCSGVSA-N 372.787 3.642 50 50 FHGA Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 653583 QMTUTEPGRWOFIQ-HOTGVXAUSA-N 359.882 3.770 50 50 FHGA COc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1C 818655 LKQVBDCXSKRDEO-SFHVURJKSA-N 352.434 3.763 50 50 FHGA COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 17076573 ILZLMSKOLDJGMC-PTNGSMBKSA-N 374.400 3.640 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(F)cc1F 718025 OHJYOFIZSVREOV-YPMLDQLKSA-N 368.339 3.766 50 50 FHGA NC(=O)N/N=C(/C[C@@H]1OC(=O)c2ccccc21)c1ccc2ccccc2c1 5905672 SVVJWYZMEVMHPO-FGLBZAAHSA-N 359.385 3.514 50 50 FHGA COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C(=O)O 15220059 UXMLBJCOQHLJNB-WQLSENKSSA-N 356.765 3.592 50 50 FHGA C[C@H](Cl)C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 1875380551 RUDJNKQTMHRICO-PXNSSMCTSA-N 371.912 3.702 50 50 FHGA N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@H]2[C@@H]1c1ccc(Cl)s1 4453598 BYKPRBQZBLKASR-QMTHXVAHSA-N 358.879 3.558 50 50 FHGA CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nc2ccccc21 1193357 VNWUAIJZRUMCTI-RGVLZGJSSA-N 372.881 3.952 50 50 FHGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1cccc(O)c1 1469462 ZYOLWHDNJSQQFR-HZHRSRAPSA-N 361.445 3.766 50 50 FHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 4230305 MNLYIDTYNHPMCG-LFVJCYFKSA-N 372.424 3.907 50 50 FHGA C[Si](C)(C)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169806637 XMIPIKYUVSCYKT-UHFFFAOYSA-N 372.281 3.593 50 50 FHGA in-vitro Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 855606 HAXUMZADGPXFCP-HZHRSRAPSA-N 360.461 3.924 50 50 FHGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2571794 WKVKXWAQMKFHQO-UFWORHAWSA-N 370.623 3.736 50 50 FHGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cccs1 632609 GDPNFDAGTJPVRG-OAHLLOKOSA-N 352.415 3.530 50 50 FHGA CCCCCCCCCCCC(=O)NNC(=S)NC[C@@H]1CCCO1 97941886 SFFISBUBVZSOTC-INIZCTEOSA-N 357.564 3.582 50 50 FHGA O=C(O)CCSSCCNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 1875388887 UNVKBWHEGMMGST-CVEARBPZSA-N 367.536 3.618 50 50 FHGA Cn1c2ccccc2c2cc(C(=O)NNC(=O)c3ccc(F)cc3)sc21 1386896 QAPDSCPHQFUBMQ-UHFFFAOYSA-N 367.405 3.607 50 50 FHGA C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccc(Cl)cc1 5296864 RIRDUEJAJDYPHZ-WSDLNYQXSA-N 364.836 3.983 50 50 FHGA O=C(CBr)c1c(F)cc(Br)cc1Br 263625274 YGTAONHTZWZJLS-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1 71782573 MLQMIKPASSAXKN-HZHRSRAPSA-N 358.397 3.978 50 50 FHGA O=C(CBr)c1cc(Br)c(Br)cc1F 263624046 MYIBYMRJBAZIEI-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA O=C(NNCc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 263639620 AQHGXJWVHTUQAV-UHFFFAOYSA-N 364.154 3.842 50 50 FHGA N#Cc1ccc(NNC(=O)c2cc(F)c(F)c(F)c2)c(C(F)(F)F)c1 799753899 XIKMGVPPXMJLCD-UHFFFAOYSA-N 359.229 3.751 50 50 FHGA COc1cccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)c1 2521736 PVDJRVVQXQOBQQ-DJKKODMXSA-N 353.205 3.531 50 50 FHGA CC(C)(C)[Si](OCCC1(C=O)CC1)(c1ccccc1)c1ccccc1 200718942 BCNMYPVKUYHQST-UHFFFAOYSA-N 352.550 3.932 50 50 FHGA CC(C)(C)OC(=O)CCOCCSSCCO[C@H]1CCCCO1 230493597 JTKJXQXCOWSQCZ-HNNXBMFYSA-N 366.545 3.659 50 50 FHGA N#C/C(=C/c1ccc(SCCO)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 4997673 NQYXDMXBYIPQOD-LCYFTJDESA-N 366.402 3.620 50 50 FHGA CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 15219840 FLJSOFQYRUJJAC-PTNGSMBKSA-N 352.390 3.735 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(F)c(F)c1 718022 RYISCUCZFRYFAM-ADLMAVQZSA-N 368.339 3.766 50 50 FHGA O=C(CNc1cccc2ccccc12)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 15684655 FDTPLDNTXMLKSY-XGBVIFANSA-N 374.400 3.975 50 50 FHGA O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(Cl)c1 1229603 DDQQTDUTEJRPLM-CAOOACKPSA-N 353.603 3.572 50 50 FHGA CC(/C=C/c1ccccc1)=N\NC(=O)c1cc(Br)ccc1O 5222387 AKFZLCYGZQCSIW-UDRLLYAISA-N 359.223 3.974 50 50 FHGA O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1 2022296 SREIGOZTASQVSC-UHFFFAOYSA-N 369.218 3.677 50 50 FHGA in-vitro O=C(N/N=C\C(Br)=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 15938313 VXYZOBMXQNCYOW-LQHTZKGQSA-N 374.194 3.746 50 50 FHGA CCOc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 1402174 CLIUCKAANZFCHZ-LJQANCHMSA-N 352.434 3.918 50 50 FHGA COc1ccccc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 2861225 BFQJBOPCWMWENA-UHFFFAOYSA-N 360.822 3.638 50 50 FHGA Cc1cc(C)nc(SCC(=O)N/N=C/C(Cl)=C/c2ccccc2)n1 5793267 WPPVMYFQVQKZKM-SUQUQSPJSA-N 360.870 3.567 50 50 FHGA COc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1C 1228328 KOQWAFIFXYYRHH-GOSISDBHSA-N 374.396 3.637 50 50 FHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 2553282 VDJMFXWEYAMKCN-HZHRSRAPSA-N 373.412 3.876 50 50 FHGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OCC)cc2)cc1 4372842 ZTIYRUWHUWIZQB-PXLXIMEGSA-N 370.449 3.793 50 50 FHGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](C)Cn1cnc2ccccc21 2369414 GTDDMGYLVMIOKD-YTRQYYDFSA-N 359.433 3.612 50 50 FHGA Cc1cccc2c1OCC/C2=N\NC(=O)[C@H](C)Oc1cccc(Cl)c1 35653598 OJOYJIXHWLGCKK-NGFMMCKOSA-N 358.825 3.719 50 50 FHGA CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](O[C@@H]2CCCCO2)C[C@@H]2OC(=O)C[C@@H]21 169876658 JJMNYDDYIZNLIX-XLKGFZLASA-N 370.562 3.872 50 50 FHGA in-vitro O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc([N+](=O)[O-])cc1 1107834 XUFATMOLAGTNKU-VXLYETTFSA-N 354.753 3.560 50 50 FHGA O=C(NNC(=O)c1ccccc1O)Nc1ccc(Cl)cc1C(F)(F)F 1560673 WOBZKKWIZSBLMA-UHFFFAOYSA-N 373.718 3.531 50 50 FHGA C=CCOc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1 4366307 HCXNJICOPKFMBV-HZHRSRAPSA-N 360.413 3.934 50 50 FHGA CC1CCC(=NNC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 4372903 XKKITIZNWYHQBK-KIYNQFGBSA-N 353.260 3.899 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccncc1 4531291 DSTMSQWJOCQULA-OEAKJJBVSA-N 355.401 3.779 50 50 FHGA CCc1ccccc1NC(=S)NNC(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1 2793577 UDADUPVCYJRENR-IAGOWNOFSA-N 353.491 3.679 50 50 FHGA COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CCCCl)cc1 3883401 OKUZYLRANRUHLW-MSOLQXFVSA-N 373.836 3.689 50 50 FHGA O=C(/C=C/c1cccs1)NNC(=O)C(c1ccccc1)c1ccccc1 6596048 QJINNBIWKHJBFN-BUHFOSPRSA-N 362.454 3.741 50 50 FHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1 1231697 PSJVHLQRHYUFDB-QGZVFWFLSA-N 359.351 3.990 50 50 FHGA Cc1cccc(C)c1NC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2 4999080 KZWZBPDDIGCJPS-UHFFFAOYSA-N 357.523 3.837 50 50 FHGA O=C(O)C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 169638637 STIBMNDFQNRAQX-UHFFFAOYSA-O 357.316 3.658 50 50 FHGA CCOC(=O)c1c(-n2cccc2C=O)sc2c1CCC(C=O)=C2Cl 846110 KIIWFBUCIFQVMY-UHFFFAOYSA-N 363.822 3.623 50 50 FHGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 679957 BDAWTFREBMJFFG-LJQANCHMSA-N 360.392 3.525 50 50 FHGA Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1 8685688 QRJKLUZVWNTEEP-JKSUJKDBSA-N 359.882 3.770 50 50 FHGA Cc1oc(-c2ccccc2)cc1C(=O)NCCSSCCC(=O)O 1875388855 SMGZACIYHTUCNF-UHFFFAOYSA-N 365.476 3.841 50 50 FHGA N#Cc1ccc(NNC(=O)c2cc(Cl)ccc2O)c(C(F)(F)F)c1 799748948 GBTKMFXNIZEIPS-UHFFFAOYSA-N 355.703 3.693 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 676338 DQFVTTQWBUUIPF-STCDJXRXSA-N 360.841 3.965 50 50 FHGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 1254111 QSJIBXBGQSLKPG-LJQANCHMSA-N 372.428 3.749 50 50 FHGA CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(N(C)C)cc1 253470679 LSMVLFIFBFUOIC-OAQYLSRUSA-N 362.477 3.817 50 50 FHGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(Br)cc2)n[nH]1 5402842 JWSMWCPWCAJEDH-YBFXNURJSA-N 369.222 3.603 50 50 FHGA COc1ccccc1NC(=O)CCC(=O)N/N=C(C)/C=C/c1ccccc1 5516924 LTEISYKSWIIEQS-YLYYBIBKSA-N 365.433 3.619 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(O)c1 752673 IPJWFVGKIAOQPB-QRWLVFNGSA-N 358.397 3.601 50 50 FHGA O=C(CSc1ccc2ccccc2n1)N/N=C\c1c[nH]c2ccccc12 55525185 WQPLIQXGANQIPD-UUYOSTAYSA-N 360.442 3.959 50 50 FHGA CC(=O)Nc1cccc(/C(C)=N/NC(=O)COc2ccc(Cl)c(C)c2)c1 5793042 YVPPEJGHZFDBNK-LPYMAVHISA-N 373.840 3.526 50 50 FHGA Cc1cc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)[nH]n1 252677974 BYDHJEQMTGJUOS-UHFFFAOYSA-N 373.210 3.505 50 50 FHGA O=C(CSCc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1 2877561 KHZOWTSEPAMATN-UHFFFAOYSA-N 369.273 3.688 50 50 FHGA CCc1ccccc1NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccc(C)cc1 2793576 UDADUPVCYJRENR-SJORKVTESA-N 353.491 3.679 50 50 FHGA N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 1211122 HWFZBIBAXUVTNV-WQLSENKSSA-N 372.178 3.903 50 50 FHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 1227964 QJJMEIBAKNMHCW-AWEZNQCLSA-N 366.339 3.740 50 50 FHGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(F)cccc1Cl 1196243 VVJPIKZLSKPQIX-UFWORHAWSA-N 362.817 3.598 50 50 FHGA C[Si](C)(C)O[Si](CCCN)(O[Si](C)(C)C)O[Si](C)(C)C 169864359 KCJAIHQXOQUWTI-UHFFFAOYSA-N 353.760 3.829 50 50 FHGA CCOC(=O)C(CCCBr)(CCC(C)C)C(=O)OCC 2166723 BJPJLQOSZBBGMY-UHFFFAOYSA-N 351.281 3.710 50 50 FHGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1058337 ZLICYNSGOUKIBS-IBGZPJMESA-N 360.392 3.525 50 50 FHGA C=CCc1cccc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)c1O 5073510 MUCSWMKGNLDAJM-LPYMAVHISA-N 353.466 3.723 50 50 FHGA N#C/C(=C(\O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 100469496 HPJVGPLLWPJEMV-CCEZHUSRSA-N 368.336 3.842 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1Cc1ccccc1 856093 RRKVXVLDSGQSKX-MSOLQXFVSA-N 356.425 3.970 50 50 FHGA C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 169743678 XMSXQFUHVRWGNA-UHFFFAOYSA-N 370.775 3.592 50 50 FHGA world N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(O)c1 752676 IPJWFVGKIAOQPB-MGPUTAFESA-N 358.397 3.601 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1Cl 2485524 HURKNJZVTMANSN-CYBMUJFWSA-N 353.205 3.638 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(Cl)c1 625988 LPURLWDRQMJAGD-OAHLLOKOSA-N 350.761 3.665 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1Cl 632619 QACWADGDVNNMJN-OAHLLOKOSA-N 350.761 3.665 50 50 FHGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1 868026 UXAVHBULFZMPAW-GIJQJNRQSA-N 360.826 3.564 50 50 FHGA Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1 8685686 QRJKLUZVWNTEEP-HOTGVXAUSA-N 359.882 3.770 50 50 FHGA O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)C1[C@@H]2CCCC[C@@H]12 169617480 AZKGMFBPXAUNBU-AQNXPRMDSA-N 374.484 3.576 50 50 FHGA O=C(NNc1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 120455314 BKQXFPKISMZWRK-UHFFFAOYSA-N 355.401 3.691 50 50 FHGA CCc1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 1230222 IRVFBFSAIPKCLB-PXLXIMEGSA-N 353.466 3.624 50 50 FHGA CCOc1ccc(NC(=O)CCC(=O)N/N=C(\C)c2ccc(C)cc2)cc1 5653055 ONBFJAWQTHRCOZ-XQNSMLJCSA-N 367.449 3.653 50 50 FHGA O=C(Nc1ccccc1C(F)(F)F)c1cc2ncc(CCCl)cn2n1 652349 YYWDYAPEXPQOPV-UHFFFAOYSA-N 368.746 3.782 50 50 FHGA CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCC(N)=O 12364201 AHAFGANNYMCREB-DHDCSXOGSA-N 356.809 3.667 50 50 FHGA C=CCc1cccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1O 1213809 SRQXONQWOGHRFF-LNOXHEFASA-N 358.825 3.692 50 50 FHGA O=C(Cc1ccccc1)N/N=C1/c2ccccc2-c2nc3ccccc3nc21 1230280 IWAGDAQZDMDWBC-QYQHSDTDSA-N 364.408 3.722 50 50 FHGA O=C(N/N=C/c1ccccc1O)c1cc(-c2cccc3ccccc23)n[nH]1 1834591 PRTDQJTWDCRSBF-LPYMAVHISA-N 356.385 3.699 50 50 FHGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 4354268 RJDLCEJGURHBHG-UFWORHAWSA-N 370.623 3.736 50 50 FHGA O=C(NNC(=S)NC1CCCCC1)Nc1cccc(Cl)c1Cl 1119036 UDJDXIUNJYDRRS-UHFFFAOYSA-N 361.298 3.827 50 50 FHGA O=C(NNC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 2141540 KEBBGDBRCMTBAC-UHFFFAOYSA-N 357.719 3.825 50 50 FHGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(O)cc1 4366418 LJGFSFROBOPXGJ-PFRBSUFTSA-N 360.413 3.977 50 50 FHGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(O)c2cc(Cl)ccc2n1 5013434 CBWKHRBTFKWVFM-IZZDOVSWSA-N 352.737 3.961 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1F 1422111 YWCFQCUDCHRJQR-HNNXBMFYSA-N 350.374 3.619 50 50 FHGA CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(N(C)C)cc1 253470678 LSMVLFIFBFUOIC-NRFANRHFSA-N 362.477 3.817 50 50 FHGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3167030 DXUHCBRERZOJGE-RGVLZGJSSA-N 355.394 3.556 50 50 FHGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(Br)cc1 5034312 YFWUCMFSLVFRRQ-VCHYOVAHSA-N 363.259 3.624 50 50 FHGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccc(Cl)cc1Cl 5296521 NYQRGQCNTQPBQV-DJKKODMXSA-N 351.237 3.749 50 50 FHGA O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)cc1Cl 1394338 KEDSCGHYZRVODC-UHFFFAOYSA-N 374.227 3.859 50 50 FHGA CCc1cc(C(N)=O)c(SSc2sc(CC)cc2C(N)=O)s1 2895824 XSTMHILJPOGFLO-UHFFFAOYSA-N 372.562 3.932 50 50 FHGA COc1ccc([C@H]2N=C(N3CCc4ccccc43)SC(N)=C2C#N)cc1 20060065 FYMVVTSMBZDORC-GOSISDBHSA-N 362.458 3.596 50 50 FHGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 867776 DMOLRCYIBYEFDK-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA COC(=O)NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1 1462732 YYLVUERZPTZNEK-UHFFFAOYSA-N 370.172 3.961 50 50 FHGA COc1cccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1 3023530 VLXCSSXPVHBFGE-HZHRSRAPSA-N 360.413 3.891 50 50 FHGA CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 5322034 PWRYTZMHIUMCRY-LJQANCHMSA-N 364.405 3.659 50 50 FHGA CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nc2ccccc21 1192280 BRRUUGSCDBOWDV-RGVLZGJSSA-N 372.881 3.952 50 50 FHGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)[nH]n1 5126070 UUEZCERZCADJFB-LPYMAVHISA-N 362.433 3.973 50 50 FHGA O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=S)Nc1ccccc1F 16272176 LPQGFHKBIKAJCD-UHFFFAOYSA-N 361.486 3.750 50 50 FHGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1216459 SBRZEQCMUPOICW-CNRHGSOZSA-N 363.373 3.666 50 50 FHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(CC)cc3)[nH]n2)cc1 9330042 JBEZTOZUACTMTC-HYARGMPZSA-N 362.433 3.802 50 50 FHGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Cl)c2)C2=C1CC(C)(C)CC2=O 1080060 JCAPVZXALOBVAS-QGZVFWFLSA-N 370.884 3.553 50 50 FHGA O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1ccccc1Cl 6829340 ZCIVLQXXRULVJJ-UHFFFAOYSA-N 372.252 3.693 50 50 FHGA CCOc1ccc(NC(=O)CCC(=O)NN=C(C)CCc2ccco2)cc1 253476399 IKEMXVKUUJUQAG-UHFFFAOYSA-N 371.437 3.522 50 50 FHGA CCCCc1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1 6390550 XBYUXIMRNQMKQI-UHFFFAOYSA-N 355.507 3.980 50 50 FHGA COc1cccc(C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)c1 5795858 GSBMZCUMQIVPAM-SRZZPIQSSA-N 353.809 3.969 50 50 FHGA COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccn3)o2)cc1Cl 829876 QFBRUNCDPYSFNK-SRZZPIQSSA-N 355.781 3.768 50 50 FHGA CC(C)CNC(=S)NNC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2 17075508 JVGKMJVJFLYEHM-LBPRGKRZSA-N 367.584 3.664 50 50 FHGA COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 100574414 UVFMHIFONYAHFC-LJQANCHMSA-N 352.434 3.831 50 50 FHGA O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 772626158 CQNNPEUVHAJJEW-PCCBWWKXSA-N 371.440 3.512 50 50 FHGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2Cl)[nH]n1 4950863 XTTYZYWYBLEXFY-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA COc1ccc(COC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 23114644 DMJXGFKCVSNWPA-UHFFFAOYSA-N 356.422 3.564 50 50 FHGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 245226605 GMECDSONWHNXFI-XTLIACCCSA-N 366.417 3.921 50 50 FHGA O=C(N/N=C/c1ccccc1Cl)c1cc(Br)ccc1O 1187418 YWVBFTIEVCTQTA-CAOOACKPSA-N 353.603 3.572 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Cl)cc1 632573 FVUNYVVVJSXLRZ-HNNXBMFYSA-N 350.761 3.665 50 50 FHGA Cc1nc2ccc(Br)cn2c1C(=O)NN=C1CCCCCC1 842947 KNTCQDMJAZHEEF-UHFFFAOYSA-N 363.259 3.845 50 50 FHGA CC(=O)c1cccc(NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 2858860 UQPXRNOLELDKTH-UHFFFAOYSA-N 366.204 3.663 50 50 FHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c1 4282312 OSIFGIFHFDBRSN-HZHRSRAPSA-N 373.412 3.876 50 50 FHGA O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 772626155 CQNNPEUVHAJJEW-NJDAHSKKSA-N 371.440 3.512 50 50 FHGA C/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc(Br)s1 15684694 BBWZFQCTWVXIJC-WQRHYEAKSA-N 366.284 3.771 50 50 FHGA CN(C)c1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCN(C)c3ccccc32)cc1 2325884235 KQFXOXPOYGRLFK-RHYRFBSLSA-N 374.488 3.747 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl 752452 MJJFIRGQPDKMJU-AWEZNQCLSA-N 353.205 3.638 50 50 FHGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)cc1 4723671 SBORZIBEMLSRNF-SQFISAMPSA-N 351.406 3.824 50 50 FHGA C/C(=N/NC(=O)CNc1ccccc1C)c1ccc(Br)cc1 16362957 XBIIWHXCFYOGKD-MOSHPQCFSA-N 360.255 3.710 50 50 FHGA CCOc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c(O)c1 1229474 UHFGOHZNRPCJDL-WSDLNYQXSA-N 370.449 3.752 50 50 FHGA Cc1cc(C)cc(NC(=S)NNC(=O)CSCc2ccccc2C)c1 6401619 DKSLUOSCMYFECR-UHFFFAOYSA-N 373.547 3.863 50 50 FHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)cc1 16946630 BOEFNKJWNXBNIA-GIJQJNRQSA-N 360.826 3.564 50 50 FHGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccs2)[nH]n1 5126202 GILWIKFECQHAMS-XDHOZWIPSA-N 354.435 3.691 50 50 FHGA COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 752620 ONZUEPFLPAVQKO-QVKFZJNVSA-N 372.424 3.904 50 50 FHGA CCCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 2484173 QPCYGXDSRIZCIM-SFHVURJKSA-N 352.434 3.926 50 50 FHGA CCOC(=O)COc1ccccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 12363406 QCQQDKAZRUPLOJ-WJDWOHSUSA-N 352.346 3.601 50 50 FHGA COc1ccc(C)cc1NC(=O)NNC(=O)c1ccc(Cl)cc1Cl 3086002 UDHYNWOCTXJOLN-UHFFFAOYSA-N 368.220 3.777 50 50 FHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(C(C)(C)C)s2)C2=C1CCCC2=O 1445977 DVJQWWQVHJBJJA-KRWDZBQOSA-N 370.522 3.622 50 50 FHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)c1 2573623 IIJYBBZYFYLXLK-HZHRSRAPSA-N 358.397 3.978 50 50 FHGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccccc1F 1428056 MWDHHRDHHBEHTC-AWEZNQCLSA-N 358.394 3.591 50 50 FHGA C=CCc1cccc(/C=N/NC(=O)CNc2ccc(Cl)cc2C)c1O 1230427 SQVFRCKSHFBRKC-SSDVNMTOSA-N 357.841 3.645 50 50 FHGA N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(Cl)cc1Cl)OCO3 2838560 JJEIQCOBPZSPRS-INIZCTEOSA-N 361.184 3.940 50 50 FHGA CN(C)c1ccc(C(=O)NNC(=O)Nc2c(Cl)cccc2Cl)cc1 2142485 SUQOFHOJUKLTTQ-UHFFFAOYSA-N 367.236 3.526 50 50 FHGA CCOc1cc(C=NNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)ccc1O 252679103 HXJAIYPOVGPKRG-NHYWBVRUSA-N 371.264 3.832 50 50 FHGA O=C(CBr)c1cc(F)c(Br)cc1Br 263624475 QVPFHOMBZCLJDP-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 632716 CDSAXHHGZVNPFD-LJQANCHMSA-N 352.434 3.831 50 50 FHGA C=CCc1cccc(/C=N/NC(=O)CCCNc2ccc(C)cc2)c1O 2996081 MOUFTZXKPJIVSJ-HZHRSRAPSA-N 351.450 3.772 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccc(O)cc1 4953942 KYGCVIKRZLEHTQ-RGVLZGJSSA-N 354.797 3.590 50 50 FHGA Cc1ccccc1[C@H](OC(N)=O)P(=O)(OCCCl)OCCCl 107521764 KXQGBSDAUYPNAR-GFCCVEGCSA-N 370.169 3.793 50 50 FHGA CNc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1 2142421 HQMAAUBJQAIIJX-UHFFFAOYSA-N 353.209 3.502 50 50 FHGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccccc1Cl 6529666 ZCSBWULCTLNUMH-UHFFFAOYSA-N 365.911 3.591 50 50 FHGA N#Cc1ccc(Cl)c(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)c1 803360890 NVRZPJLRVXJXCX-UHFFFAOYSA-N 364.714 3.859 50 50 FHGA O=C(O)CCSSCCNC(=O)c1coc2ccc(Cl)cc12 1875388626 JDTCXPXTBWTHGV-UHFFFAOYSA-N 359.856 3.672 50 50 FHGA CN(C)c1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCN(C)c3ccccc32)cc1 2325884234 KQFXOXPOYGRLFK-BKBDBRRMSA-N 374.488 3.747 50 50 FHGA Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 1106683 CNKNNMZTXPOUQI-ZDUSSCGKSA-N 365.252 3.634 50 50 FHGA CC(C)(CO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 196092956 DASDLTDKOPBSIO-UHFFFAOYSA-N 356.582 3.972 50 50 FHGA CCCC1=C(C(=O)OCC)[C@@H](c2cc(C)c(OC)cc2C)C(C#N)=C(N)O1 823009 LWXNEEKKASKPRH-SFHVURJKSA-N 370.449 3.737 50 50 FHGA COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)OC(C)(C)C)o1 252678323 DVVOUJGOZUTTGK-UHFFFAOYSA-N 361.354 3.722 50 50 FHGA CCN(CC)[C@@H](CNC(=O)[C@H](C)Cl)c1ccc(C(F)(F)F)cc1 1875364904 XXKYKJVXTXJZFT-FZMZJTMJSA-N 350.812 3.832 50 50 FHGA COc1cccc([C@@H]2C(C#N)=C(N)S[C@H](c3ccccc3)[C@H]2[N+](=O)[O-])c1 13153154 DWDZUKHJSOSLGF-FGTMMUONSA-N 367.430 3.606 50 50 FHGA O=C(N/N=C/c1ccccc1Br)c1cc(-c2ccccc2)n[nH]1 5354179 HETVVHPMOYZTJN-YBFXNURJSA-N 369.222 3.603 50 50 FHGA O=C(CCl)N[C@@H](Oc1nc2ccccc2s1)C(Cl)(Cl)Cl 6345354 VSPWBYGLHUHGSD-VIFPVBQESA-N 374.076 3.726 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccc(F)c1 718322 SSTTZJHBVVRJTG-KPZWWZAWSA-N 350.349 3.627 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(F)c2)C(C#N)=C(N)O1 875266 KNRFYPAIUXUFFM-IBGZPJMESA-N 364.376 3.651 50 50 FHGA COc1cc(Br)ccc1C(=O)N/N=C/c1c[nH]c2ccccc12 1073963 LNZBDHHCTPNKLX-KEBDBYFISA-N 372.222 3.703 50 50 FHGA CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccnc3)o2)cc1 669144 XEDNYLHUSBGMAK-OEAKJJBVSA-N 363.417 3.970 50 50 FHGA COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)cc1 5593547 HTEVLHVGZMJIIM-UMYHVIPVSA-N 368.462 3.593 50 50 FHGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 5044918 UTIPXCPWAXGWCL-QGZVFWFLSA-N 358.401 3.694 50 50 FHGA COc1ccc([C@H]2C(C#N)=C(S)NC3=C2C(=O)CC(C)(C)C3)cc1OC 12384428 ISYWEMTYPDNFIQ-KRWDZBQOSA-N 370.474 3.699 50 50 FHGA N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Br 1216960 QDSYRXAQZBQEIB-KPKJPENVSA-N 371.190 3.723 50 50 FHGA Cc1cc(C)cc(NC(=S)NNC(=O)CSCc2ccccc2)c1 6390080 CDZYGMYKLLZNRZ-UHFFFAOYSA-N 359.520 3.554 50 50 FHGA C/C=C1/C[N@+]2(CCCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14 245253777 PMVPZDGAMARLPF-KCVIYDJISA-O 365.497 3.878 50 50 FHGA biogenic O=C(CCc1ccccc1)NNC(=S)Nc1ccc(Cl)cc1Cl 6829460 UJGTVBQBEHSFKR-UHFFFAOYSA-N 368.289 3.944 50 50 FHGA N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)c1n[nH]c(N)c1C#N 8969552 KCEFBRXSCONFOL-JXMROGBWSA-N 358.386 3.797 50 50 FHGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(F)cc1 993579 NVCZGFYFWYNHFF-CIAFOILYSA-N 368.389 3.870 50 50 FHGA CC(C)(C(=O)NCCSSCCC(=O)O)c1ccccc1Cl 1875388656 KRTZJJPNUWLUNE-UHFFFAOYSA-N 361.916 3.590 50 50 FHGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 2674757 NTWLEXFXEZTNJJ-RGVLZGJSSA-N 355.394 3.556 50 50 FHGA CCc1ccccc1NC(=S)NNC(=O)CSCc1ccccc1C 6395254 QIHRHYVGFTXZDG-UHFFFAOYSA-N 373.547 3.808 50 50 FHGA Cc1ccccc1C(=O)NN(C)c1nc2ccccc2nc1C(F)(F)F 1381980 POCREAFIBPVMBR-UHFFFAOYSA-N 360.339 3.738 50 50 FHGA aggregator Cc1ccc2cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)nc2c1 33341411 UKRILWFUTXQPGX-JMIUGGIZSA-N 368.780 3.869 50 50 FHGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1O 15685815 JWVHRXAIZMRRNB-GHXNOFRVSA-N 358.781 3.608 50 50 FHGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3cccs3)[nH]n2)c1 5126097 KJSHGMAZKFHQKS-XDHOZWIPSA-N 354.435 3.691 50 50 FHGA C[C@@H](Cl)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 1875363730 VYEXXGBKDAOZJM-OAHLLOKOSA-N 353.853 3.842 50 50 FHGA N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Br)c1 4471699 MARFDECPHDALIL-SDQBBNPISA-N 371.190 3.723 50 50 FHGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 4643736 DAPOHQAHCKBJCL-CIAFOILYSA-N 367.840 3.560 50 50 FHGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 65356348 HMVSLCQDVNRNJA-FQEVSTJZSA-N 357.413 3.697 50 50 FHGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccccc1 4261265 DBAPBPVBRFYHGL-DEDYPNTBSA-N 350.399 3.731 50 50 FHGA O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)[C@@H](O)c1ccccc1 805093 VXEFJNCMMRQYEO-IUOVYFEOSA-N 354.793 3.784 50 50 FHGA C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cc(Cl)sc1Cl 5516988 JVSLDYFLKSCDPY-REZTVBANSA-N 357.218 3.938 50 50 FHGA Cc1ccccc1NCC(=O)N/N=C/c1cc2ccccc2nc1Cl 1228138 LVDFKQGWXBYAEL-SSDVNMTOSA-N 352.825 3.759 50 50 FHGA COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1O 6304939 OXDXWIBJRQFBTN-YRNVUSSQSA-N 373.752 3.508 50 50 FHGA C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1 13983221 VFUAJMPDXIRPKO-LQELWAHVSA-N 356.223 3.628 50 50 FHGA investigational COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1OCc1ccccc1 1241188 ZIWGYWMEKHGETM-LPYMAVHISA-N 364.401 3.940 50 50 FHGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(O)cc(O)c3)ccc21 671995 YKZKTWGFZSNIJY-YDZHTSKRSA-N 373.412 3.990 50 50 FHGA CC(=NNC(=O)[C@H](C)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 252428302 XJTPOFJXVZHWFQ-LBPRGKRZSA-N 360.801 3.589 50 50 FHGA COc1cccc2c1CC[C@@]2(CBr)NC(=O)OC(C)(C)C 725269450 UIKGHKKSPDOJPV-INIZCTEOSA-N 356.260 3.756 50 50 FHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1 5014329 NGBWYCYRFXXGEA-XDHOZWIPSA-N 354.435 3.691 50 50 FHGA COc1cccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1O 4210806 WHHYYBCMXAGVED-LPYMAVHISA-N 363.417 3.572 50 50 FHGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cccs1 632607 GDPNFDAGTJPVRG-HNNXBMFYSA-N 352.415 3.530 50 50 FHGA C/C(=N\NC(=O)COc1ccccc1C)c1ccc(Br)cc1 1189874 PULQAFXANFJXLJ-CPNJWEJPSA-N 361.239 3.677 50 50 FHGA COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3s2)c1 13940391 FQUVZOKEOLOJMT-UDWIEESQSA-N 371.487 3.937 50 50 FHGA C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CBr 126687255 VHIWKIUMIUWENS-SSDOTTSWSA-N 361.088 3.668 50 50 FHGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 5044917 UTIPXCPWAXGWCL-KRWDZBQOSA-N 358.401 3.694 50 50 FHGA CN(C)c1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)c(Cl)c1 43761353 NQNQOSDEZNPIBO-WSDLNYQXSA-N 354.841 3.580 50 50 FHGA Cc1ccc(C(=O)NNc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 1857798873 DSIFQROWHQAJIB-UHFFFAOYSA-N 352.781 3.932 50 50 FHGA C[C@H](NC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2)c1ccccc1 2765200 HSACIVVPJNPQKP-OLZOCXBDSA-N 373.547 3.743 50 50 FHGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)cc1 3008816 FPWYGXIEKPXPSN-UFWORHAWSA-N 370.623 3.736 50 50 FHGA O=C(N/N=C/c1ccc(O)cc1)[C@H]1CC1(c1ccccc1)c1ccccc1 1229926 CLSKBZZGKZGOKC-KCOUNZPASA-N 356.425 3.849 50 50 FHGA COc1ccc(C)cc1NC(=S)NNC(=O)Nc1cccc(Cl)c1 2142443 NGBYXFVEOJECGE-UHFFFAOYSA-N 364.858 3.680 50 50 FHGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1Cl 5034958 QISXUVIIYBQEHN-UHFFFAOYSA-N 364.832 3.933 50 50 FHGA COc1ccccc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1 17074512 IVWOYQIHUQIESZ-UVTDQMKNSA-N 362.364 3.770 50 50 FHGA Cc1cc2c(c(=O)o1)[C@@H](c1cccc(Oc3ccccc3)c1)C(C#N)=C(N)O2 823011 XVXNVWZFTOIBKL-IBGZPJMESA-N 372.380 3.959 50 50 FHGA COc1ccc(OC)c(NC(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c1 2166267 LHVJQOAPTLFYPP-UHFFFAOYSA-N 352.730 3.876 50 50 FHGA O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C[C@@H]1c1ccccc1 2325904068 SQDMYKGFSYZNCQ-GOSISDBHSA-N 363.288 3.964 50 50 FHGA Cc1ccc(COc2ccccc2[C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 5409095 REZQDPJUZQKSIR-FQEVSTJZSA-N 372.428 3.824 50 50 FHGA COc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CCCCl)cc1 2585596 OKUZYLRANRUHLW-ZWKOTPCHSA-N 373.836 3.689 50 50 FHGA O=C(NNC(=S)Nc1ccc(F)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 8684288 NURLVWCSCJBVNO-GJZGRUSLSA-N 363.845 3.600 50 50 FHGA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H](C)Cl)CC2 1875364923 YBJKQKGESYFDQY-PIGZYNQJSA-N 365.882 3.867 50 50 FHGA Cc1[nH]nc2c1[C@H](c1ccc(-c3ccccc3Cl)o1)C(C#N)=C(N)O2 4808651 RUBFTQTVBPSYNM-INIZCTEOSA-N 352.781 3.850 50 50 FHGA O=C(N/N=C\c1ccc(Br)o1)c1ccc(Br)cc1 4989646 PQFWDFZECKFSDM-CHHVJCJISA-N 372.016 3.569 50 50 FHGA N#C/C(=C\c1ccc(F)c(Br)c1)S(=O)(=O)c1ccccc1 1117594 INUKIEDUGSYHCL-MDWZMJQESA-N 366.211 3.927 50 50 FHGA C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 5021107 PFIVUVPFOSVBPJ-WSJMOLPHSA-N 361.445 3.679 50 50 FHGA Cc1cccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)c1 1228114 RBVQYTPTOVSYHT-SRZZPIQSSA-N 353.809 3.726 50 50 FHGA COc1ccc(/C=N/NC(=O)CCSc2nc3ccccc3s2)cc1 1469548 FZIHFQUVDBUZSG-XDHOZWIPSA-N 371.487 3.937 50 50 FHGA CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 5322070 PWRYTZMHIUMCRY-IBGZPJMESA-N 364.405 3.659 50 50 FHGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccsc2)C(C#N)=C(N)O3)cc1 9436687 XREDMPRJCXOMNT-HNNXBMFYSA-N 364.430 3.755 50 50 FHGA O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)n[nH]1 5126146 NOEHKHVNPJEAEP-SSDVNMTOSA-N 358.323 3.859 50 50 FHGA CCOc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1 6693805 AZDAXASGPFAKAZ-OEAKJJBVSA-N 374.444 3.728 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc2ccccc12 753422 OTHIXQZOICDDAI-IBGZPJMESA-N 365.392 3.899 50 50 FHGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)cc1 868010 OBVUZUSQHZDJTK-VXLYETTFSA-N 373.869 3.622 50 50 FHGA CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 8968909 JPDMCHVDQDBVRR-KRWDZBQOSA-N 350.443 3.967 50 50 FHGA CC(C)(C)OC(=O)N[C@@H](CI)Cc1ccccc1 38244456 OOWACWHUQANTFH-GFCCVEGCSA-N 361.223 3.557 50 50 FHGA in-vitro C[C@H](Cl)C(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 1875364754 SLCSISREMAXNJC-ZFWWWQNUSA-N 362.823 3.527 50 50 FHGA C[C@@H](Cl)C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F 1875364244 JZMYVDFCGCYZOU-GFCCVEGCSA-N 366.795 3.559 50 50 FHGA N#C/C(C(=O)c1ccc(Cl)cc1Cl)=C1\NC(=O)c2ccccc2N1 5706303 SESYPWCSIZUIAS-FOWTUZBSSA-N 358.184 3.767 50 50 FHGA in-vitro N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccc(F)c1 718391 LRTZPOBTWMJNKH-OAHLLOKOSA-N 350.328 3.573 50 50 FHGA COc1ccccc1C(=O)N/N=C/c1ccc(N2Cc3ccccc3C2)cc1 1209165 ITRXFDKLHLDGFW-ZVHZXABRSA-N 371.440 3.979 50 50 FHGA COc1ccc(Br)cc1/C=N/NC(=O)c1c[nH]c2ccccc12 1198870 YHCBNJNEPXFUQK-AWQFTUOYSA-N 372.222 3.703 50 50 FHGA Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 2759815 YAVZTULGXUUUQT-VCHYOVAHSA-N 355.375 3.989 50 50 FHGA COc1ccc(Br)c(C2C(C#N)=C(C)NC(C)=C2C#N)c1OC 623491 AHLMKGDKRCHOHS-UHFFFAOYSA-N 374.238 3.748 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc(F)cc1 1429242 OCQOJEMSRGSBCQ-HNNXBMFYSA-N 350.374 3.619 50 50 FHGA CC(C)(C)c1noc2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)N2 59897866 IZXKUXGYPZBXMC-GFCCVEGCSA-N 373.254 3.986 50 50 FHGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 2485482 PQYDQHXFSYFGPM-BJOHPYRUSA-N 359.223 3.510 50 50 FHGA C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 2285953 GLYMCKUCSMZDQB-SFHVURJKSA-N 372.380 3.576 50 50 FHGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 867904 HWUQPZDVQZIROY-BUVRLJJBSA-N 367.412 3.903 50 50 FHGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccccc1O 100057021 IPWQBJOCHYRYOM-YBFXNURJSA-N 357.460 3.634 50 50 FHGA CC1(C)OC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 169807097 IIEWCDRPCONQME-GOSISDBHSA-N 370.565 3.715 50 50 FHGA in-vitro O=C(CCl)Nc1ccc2c(c1)N(C(=O)CCl)c1ccccc1CC2 825374186 BOASQSSAFVRSGR-UHFFFAOYSA-N 363.244 3.866 50 50 FHGA O=C1OC(=O)[C@@H]2[C@@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 169615831 LXGWNCJNLUFEQL-TZYAJKAJSA-N 368.388 3.533 50 50 FHGA CCOc1ccc(OCC)c([C@@H]2[C@@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 830353 MZSCQJOHTYMNIF-UZLBHIALSA-N 374.444 3.688 50 50 FHGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(C)=O)cc2)cc1 4261101 FDGNOKXTONZLFK-KGENOOAVSA-N 354.406 3.555 50 50 FHGA Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccoc2)C(C#N)=C(N)O3)cc1 8557767 YBGMYXBDOZZBRM-MRXNPFEDSA-N 364.430 3.822 50 50 FHGA CC1=C(C#N)[C@@H](c2ccoc2)C(C(=O)OCc2ccccc2)=C(N)S1 669113 JORMHOILXHNTOR-MRXNPFEDSA-N 352.415 3.821 50 50 FHGA Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)cc1Cl 1197023 JALDXYGVGJDHGP-GXDHUFHOSA-N 371.824 3.624 50 50 FHGA COc1cc(OC)cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 629533 PHRIDSMPMOCOQD-IBGZPJMESA-N 352.434 3.831 50 50 FHGA O=C(NNc1cccc(Cl)c1)C(O)(c1ccccc1)c1ccccc1 1205400 ZGBPKCTWGSLJIS-UHFFFAOYSA-N 352.821 3.719 50 50 FHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)o1 1214815 HLEUDUNWWHNOLP-GIJQJNRQSA-N 359.179 3.665 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 8569379 DITNHDYFSUUXBZ-CIAFOILYSA-N 368.824 3.893 50 50 FHGA CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@H]1c1ccsc1 652210 NHQLSPWJECUOIJ-OAHLLOKOSA-N 352.415 3.530 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1c(F)cccc1Cl 626044 XIFFSDWHLVIGTK-CQSZACIVSA-N 368.751 3.804 50 50 FHGA Cc1nn(C)cc1/C=N/NC(=O)[C@H](Sc1ccccc1)c1ccccc1 6413262 IPQUZZIMBUULDD-DBRLUCFCSA-N 364.474 3.712 50 50 FHGA O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2CCCC[C@H]21 252427652 AZKGMFBPXAUNBU-JSXRDJHFSA-N 374.484 3.576 50 50 FHGA CC(C)(C)c1cc(C(=O)N/N=C/c2cccc(O)c2)n(-c2ccccc2)n1 1512639 HODBIUHTWYEHNL-HYARGMPZSA-N 362.433 3.639 50 50 FHGA CCOC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95682178 GURKTTIRZFPBBT-UHFFFAOYSA-N 363.417 3.934 50 50 FHGA NC(=O)N/N=C(/C[C@H]1OC(=O)c2ccccc21)c1ccc2ccccc2c1 5905663 SVVJWYZMEVMHPO-UPHPNCSHSA-N 359.385 3.514 50 50 FHGA Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)cc1 1196587 RAWXKEWVEIJKAV-PRWBYUBPSA-N 363.461 3.605 50 50 FHGA C/C(CC(=O)Nc1cccnc1)=N\NC(=O)c1ccc(-c2ccccc2)cc1 18143253 BXWCOZDPXJCKHP-PCLIKHOPSA-N 372.428 3.883 50 50 FHGA CCCCCCn1c(=O)c(C(=O)N/N=C(\C)CC)c(O)c2ccccc21 102264908 FOZDSHOYYPLIOB-KGENOOAVSA-N 357.454 3.803 50 50 FHGA COc1cccc(C2=NC(C)=C(C#N)C(C(F)(F)F)(C(F)(F)F)N2)c1 20069888 GJNJVJZATSZDMN-UHFFFAOYSA-N 363.261 3.706 50 50 FHGA Cn1c2ccccc2c2cc(C(=O)NNC(=O)c3cccs3)sc21 1386910 FUBDESJRLMWPCP-UHFFFAOYSA-N 355.444 3.529 50 50 FHGA C/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(N)cc1 5354004 WECCDPQZTSCGRC-ZVHZXABRSA-N 369.428 3.966 50 50 FHGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccccc1Cl 28350455 WPRLFGFFZKYDQS-CIAFOILYSA-N 372.881 3.859 50 50 FHGA CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C(c2ccccc2)=C[C@@H]1c1ccccc1 19300130 CSMCOWPCFXDBHM-NFBKMPQASA-N 369.424 3.677 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 752470 WZYSCZRWRMYDJK-YWZLYKJASA-N 358.397 3.601 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C\C(C)=C\c3ccccc3)[nH]n2)cc1 31841324 UFWFUGGSQHGJRB-OYLWVDEISA-N 360.417 3.904 50 50 FHGA CCOc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)ccc1O 2544176 BQBQBZBNBWGZQK-WSDLNYQXSA-N 370.449 3.752 50 50 FHGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 9358731 DISISXCZGVWVNM-KRWDZBQOSA-N 358.401 3.694 50 50 FHGA N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCc1ccco1 1446767 OYYJNVYMHNCYAI-UVTDQMKNSA-N 363.329 3.671 50 50 FHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1 867718 RMZKQDXHRXGBTA-FSJBWODESA-N 374.375 3.839 50 50 FHGA CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NC(C)C 16440636 LFAPMDCKMFDKCD-MDWZMJQESA-N 351.244 3.669 50 50 FHGA C=C[C@@H](C)[C@H](OCOCCOC)[C@H]1O[C@H]1CO[Si](C)(C)C(C)(C)C 169834736 UGVCPSIRACZBEB-QZWWFDLISA-N 360.567 3.603 50 50 FHGA O=C(NNC(=O)c1sccc1-n1cccc1)Nc1cccc(Cl)c1 1394324 SIQLSEUUZKAAEM-UHFFFAOYSA-N 360.826 3.659 50 50 FHGA C[C@@H]1C[C@@H](P(c2ccccc2)c2ccccc2)OB(c2ccccc2)O1 195803514 QLXAORCNSGXDJH-XMSQKQJNSA-N 360.202 3.666 50 50 FHGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 994237 PTTSXPZHINUDJL-OTGIAGGSSA-N 361.239 3.675 50 50 FHGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12 4330089 GSKOHTUDMUQUAE-CIAFOILYSA-N 351.793 3.582 50 50 FHGA Cc1cc(-c2ccccc2)nc2c(C(=O)N/N=C/c3cccc(F)c3)cnn12 672958 ZBBXQIJOGOWGBJ-FSJBWODESA-N 373.391 3.608 50 50 FHGA Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1c[nH]nc1-c1ccccc1 18172608 IJRPXRWDDBEUNP-YDZHTSKRSA-N 371.400 3.804 50 50 FHGA COc1ccc(OC)c([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 632727 HSIHXNPSRUGFDS-IBGZPJMESA-N 352.434 3.831 50 50 FHGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 714345 UDCMGZACIRXGNN-MRXNPFEDSA-N 362.410 3.733 50 50 FHGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 799095 ZHWOZHUDZLEPIT-VCHYOVAHSA-N 357.460 3.547 50 50 FHGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc2ccccc12 4282701 FQIMCXGDPBSUKY-WSDLNYQXSA-N 365.820 3.890 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(N)O1 705922 HTFUQCBXSXHNBW-QGZVFWFLSA-N 352.415 3.573 50 50 FHGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccsc2)C(C#N)=C(N)O3)cc1 9359680 XREDMPRJCXOMNT-OAHLLOKOSA-N 364.430 3.755 50 50 FHGA COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)c1O 4107951 RZKRVXFJRSLQMO-FMIVXFBMSA-N 362.307 3.965 50 50 FHGA Cc1ccc(CSCC(=O)NNC(=O)Nc2ccccc2Cl)cc1 13322197 VSPGIVGOHGUPKM-UHFFFAOYSA-N 363.870 3.735 50 50 FHGA COc1ccccc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 2744186 PMJSSEMQRFTXKY-WUXMJOGZSA-N 356.765 3.623 50 50 FHGA CSc1nc(N(C)NC(=O)c2ccc(Cl)cc2)c2ccccc2n1 1392674 BPXYMJLKACNGEX-UHFFFAOYSA-N 358.854 3.786 50 50 FHGA CC(=O)Nc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 16739928 LEBJVVSEWDMNGW-LICLKQGHSA-N 360.822 3.637 50 50 FHGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1 2544016 RXJYUGXXXSXIAQ-KGENOOAVSA-N 356.422 3.734 50 50 FHGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 408718758 GMECDSONWHNXFI-ZYPGCMDHSA-N 366.417 3.921 50 50 FHGA COc1ccccc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1 3023522 NVOBKVFSMBEIKA-HZHRSRAPSA-N 360.413 3.891 50 50 FHGA COc1cccc([C@@H]2C(C#N)=C(N)S[C@@H](c3ccccc3)[C@@H]2[N+](=O)[O-])c1 5042257 DWDZUKHJSOSLGF-KURKYZTESA-N 367.430 3.606 50 50 FHGA O=C(CBr)c1ccc(Br)c(Br)c1F 263622704 ACLNARMPXJTDIL-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA N#Cc1ccc(NNC(=O)c2ccc(F)c(F)c2F)c(C(F)(F)F)c1 799750947 IQBZELAGPAZLLF-UHFFFAOYSA-N 359.229 3.751 50 50 FHGA O=C(Cc1ccccc1Cl)NNC(=O)Nc1cccc(C(F)(F)F)c1 643584 MFXFESCGDDMHNU-UHFFFAOYSA-N 371.746 3.754 50 50 FHGA Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1cccc(Cl)c1 1211793 JBYUJBDJPGYBIU-WSDLNYQXSA-N 352.825 3.906 50 50 FHGA O=P(COc1ccccc1CCCO)(c1ccccc1)c1ccccc1 100291040 UPJVNXYPZLWYNP-UHFFFAOYSA-N 366.397 3.962 50 50 FHGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2)cc1 4355196 CUXSNWVHCWNFFP-VCOZGABYSA-N 374.440 3.758 50 50 FHGA C[C@@H](Cl)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 74941390 AFMOCRQNUQSDMO-GFCCVEGCSA-N 359.882 3.744 50 50 FHGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1 2506330 YATPXHYLVSHIJR-XDHOZWIPSA-N 359.223 3.778 50 50 FHGA Cc1[nH]nc2c1[C@@H](c1ccc(-c3ccccc3Cl)o1)C(C#N)=C(N)O2 4808649 RUBFTQTVBPSYNM-MRXNPFEDSA-N 352.781 3.850 50 50 FHGA CCCC1=C(C(=O)OCC)[C@H](c2cc(C)c(OC)cc2C)C(C#N)=C(N)O1 823010 LWXNEEKKASKPRH-GOSISDBHSA-N 370.449 3.737 50 50 FHGA Cc1cccc2c1OCC/C2=N\NC(=O)[C@@H](C)Oc1cccc(Cl)c1 35653596 OJOYJIXHWLGCKK-AJMWVYNUSA-N 358.825 3.719 50 50 FHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)o1 730055 KVNBCSJWYDLFDM-SRZZPIQSSA-N 360.373 3.601 50 50 FHGA CSC1=C(C#N)[C@@H](c2ccncc2)C(C(=O)Nc2ccccc2)=C(C)N1 859134 OHSRAUVZGAYQEQ-GOSISDBHSA-N 362.458 3.779 50 50 FHGA CC(C)c1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)[nH]n1 9329988 WFMRMDAGDXDXPT-FLJXDESYSA-N 361.243 3.685 50 50 FHGA C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 20158301 UMJFUCZUWHBBOU-HYARGMPZSA-N 352.825 3.609 50 50 FHGA O=C(N/N=C\c1cccc(Br)c1)c1ccc2ccccc2n1 32633780 QPJLIRYKTNTPQG-ODLFYWEKSA-N 354.207 3.761 50 50 FHGA CC/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccc(O)cc1 39943608 XHGPLKBEDLJRHA-LTGZKZEYSA-N 368.824 3.980 50 50 FHGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccccc1Cl 2383777 VTDDPQAJQVSFDU-CIAFOILYSA-N 351.793 3.582 50 50 FHGA COc1ccc(Br)cc1[C@@H]1C(C#N)=C(C)NC2=C1C(=O)CCC2 637017 UKRRJICUTQOXHA-QGZVFWFLSA-N 373.250 3.949 50 50 FHGA CCOc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1 4160116 YDVMKEBZHUVLQV-HSRIELGNSA-N 360.417 3.904 50 50 FHGA C=CCOc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1 3050474 AZAVTITZMCAKTN-HZHRSRAPSA-N 360.413 3.934 50 50 FHGA CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CC(=O)[C@H]1[C@@H]2CC1(C3)OCCO1 169830696 PPFUBBOWQXHXRH-SCNOPHJPSA-N 352.547 3.899 50 50 FHGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1211686 YFFNDZQFOMOVIA-UHFFFAOYSA-N 364.832 3.933 50 50 FHGA CC(C)(C)c1ccc(C(=O)N/N=C/c2cccn2-c2nccs2)cc1 1390349 PEVRKITUFUKAFL-FYJGNVAPSA-N 352.463 3.995 50 50 FHGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(Br)ccc1O 1229529 UORYURDKTAIZPX-CNHKJKLMSA-N 371.593 3.711 50 50 FHGA COc1ccc(/C=N/NC(=O)c2ccc(COCC(F)(F)F)cc2)cc1 2752603 VOMHNUWHCXJALO-LSHDLFTRSA-N 366.339 3.538 50 50 FHGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C)cc3)[nH]n2)c1 9007703 JKDRYCIWXJHJBJ-PXLXIMEGSA-N 362.433 3.938 50 50 FHGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1cc(-c2ccccc2)n[nH]1 5317566 WUDSDGITWMVDDH-SSDVNMTOSA-N 358.323 3.859 50 50 FHGA Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)n1 5793268 GIWXLYNWBYNGON-CNHKJKLMSA-N 369.277 3.643 50 50 FHGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)c1 6736051 NRAGGRQDKVJUCF-UKTHLTGXSA-N 374.343 3.851 50 50 FHGA N#C/C(=C\c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccccc1 2561950 JFWDUQSWZXTWNN-XNTDXEJSSA-N 353.321 3.924 50 50 FHGA CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(O)c1 1192450 VEKGGXOOGVJKHS-FYJGNVAPSA-N 359.857 3.585 50 50 FHGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(C)=O)cc1 4260713 OKVXQTFQWQNXMN-HYARGMPZSA-N 362.433 3.798 50 50 FHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 728145 FWXXVTLSKKQWSC-KRWDZBQOSA-N 370.250 3.733 50 50 FHGA N#C/C(=C/c1ccc(I)o1)c1nc2ccccc2[nH]1 4952625 LTMGZGNLVFBJSY-CLFYSBASSA-N 361.142 3.825 50 50 FHGA COc1ccc(C2(/C=N/NC(=O)c3ccncc3)CCCCC2)cc1OC 22589332 CERQUDOMNVMFIH-HZHRSRAPSA-N 367.449 3.717 50 50 FHGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccncc1 13647298 NIZJNEHGAIVICP-LFVJCYFKSA-N 360.461 3.846 50 50 FHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 756353 YDAZTARLUNHXAX-AWEZNQCLSA-N 366.339 3.740 50 50 FHGA C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc(Br)cc1 1196073 ZITMPUDGNGDIMX-CPNJWEJPSA-N 361.239 3.677 50 50 FHGA CCc1n[nH]c2c1[C@H](c1cc(Cl)cc(Cl)c1OC)C(C#N)=C(N)O2 4997683 XLFCTLZXRKQMGW-GFCCVEGCSA-N 365.220 3.506 50 50 FHGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 5033574 GKZKQKGEBGNYJU-PXLXIMEGSA-N 362.433 3.938 50 50 FHGA CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1Br)C(C#N)=C(N)O2 5044926 AOFWJNIIMXCCRC-GFCCVEGCSA-N 373.254 3.688 50 50 FHGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 6187279 YZKQHZHEARTFFP-XDHOZWIPSA-N 354.435 3.691 50 50 FHGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1sccc1C 1429636 KWCMRWRGWSWCMJ-GFCCVEGCSA-N 360.460 3.821 50 50 FHGA CSC1=C(C#N)[C@H](c2ccncc2)C(C(=O)Nc2ccccc2)=C(C)N1 859130 OHSRAUVZGAYQEQ-SFHVURJKSA-N 362.458 3.779 50 50 FHGA COc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1OC 2795797 RBDUJTLZSQLBNW-DJKKODMXSA-N 353.205 3.775 50 50 FHGA Cc1cccc(C(=O)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1 1422298 ITGLBUYELLFKTH-UHFFFAOYSA-N 372.734 3.529 50 50 FHGA O=C(O)COc1ccccc1/C=N\NC(=O)c1ccc(-c2ccccc2)cc1 15895382 LPCCIPUGXPQFBF-UCQKPKSFSA-N 374.396 3.581 50 50 FHGA C/C(=N\NC(=O)c1cn2cc(Br)ccc2n1)c1ccc(C)cc1 44068983 ZOGTVDCYJMZWDJ-UDWIEESQSA-N 371.238 3.559 50 50 FHGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc2ccccc12 1476793 OIDFYYSBCONWSY-CIAFOILYSA-N 360.442 3.959 50 50 FHGA CC(=NNC(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccc(C)cc1 245247520 UMAUXZKEVNHXJA-UHFFFAOYSA-N 357.841 3.908 50 50 FHGA aggregator COc1ccc(C(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)cc1 1210422 ALKIJMJBVUFHIM-KEBDBYFISA-N 372.222 3.703 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(F)cc1F 718024 OHJYOFIZSVREOV-MGNBDDOMSA-N 368.339 3.766 50 50 FHGA Cc1ccc(C)c(OCC(=O)N/N=C\c2cc(Br)cs2)c1 5030869 GUFBZJZRBNWZMS-IDUWFGFVSA-N 367.268 3.657 50 50 FHGA CCCOc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 5318885 MJKPLTYLUVBPCL-XDHOZWIPSA-N 354.435 3.691 50 50 FHGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 2521928 QJBHMCWCRDCRGA-JNJFRLMHSA-N 362.216 3.747 50 50 FHGA Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cccc2ccccc12 2892453 DEQIWYKQIKBGRN-WSDLNYQXSA-N 365.820 3.890 50 50 FHGA CN(C)c1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 4231406 PBIQOKASVCIHGD-KEBDBYFISA-N 366.248 3.589 50 50 FHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)cc3)[nH]n2)cc1 4677646 GDRXMONRGDJOGL-HYARGMPZSA-N 362.433 3.938 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2C)C(C#N)=C(N)O1 705962 CXGXEBSOIYCEHT-FQEVSTJZSA-N 360.413 3.820 50 50 FHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 752549 JYORIGWCMGDEFO-IERDGZPVSA-N 372.424 3.904 50 50 FHGA Cc1cccc(NC(=S)NNC(=O)c2csc3c2CC[C@@H](C)C3)c1 8581808 LUCANNOQYKZQNR-GFCCVEGCSA-N 359.520 3.813 50 50 FHGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)c1 946212 MBKBJAGLVKNYJL-YDZHTSKRSA-N 373.416 3.721 50 50 FHGA COc1cccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC 628744 PKBDVUUHVFBPHB-SFHVURJKSA-N 352.434 3.831 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)[nH]n2)cc1 9270953 LRMWZDHIVCUXLN-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 16956647 PNYGKNFLMQZBER-CIAFOILYSA-N 368.824 3.893 50 50 FHGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 408718757 GMECDSONWHNXFI-QWXHHCODSA-N 366.417 3.921 50 50 FHGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1058341 ZLICYNSGOUKIBS-LJQANCHMSA-N 360.392 3.525 50 50 FHGA CSc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1 945936 IQGPOHBGJCWZIX-YBFXNURJSA-N 370.503 3.538 50 50 FHGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1 9270871 QXZBFUYZCMVZNQ-XDHOZWIPSA-N 354.435 3.609 50 50 FHGA CC(C)N(Cc1ccc(NC(=O)[C@@H](F)Cl)cc1)C[C@@H]1CCCCO1 2325898388 ABQSKSBQSVSYNJ-DLBZAZTESA-N 356.869 3.939 50 50 FHGA Cc1cccc(OCC(=O)N/N=C/c2ccc(Br)s2)c1C 2763069 FSJNCDRFFCQCED-CAOOACKPSA-N 367.268 3.657 50 50 FHGA Cc1ccc([C@@H]2C(C#N)=C(N)S[C@@H](c3ccccc3)[C@@H]2[N+](=O)[O-])cc1 4625403 KBMHVFMSHPQZFZ-KURKYZTESA-N 351.431 3.906 50 50 FHGA CC(C)c1ccccc1OCCC(=O)NCCSSCCC(=O)O 1875388544 GAYTXKUTELYJMI-UHFFFAOYSA-N 371.524 3.551 50 50 FHGA O=C(N/N=C/c1c[nH]c2c1ccc1ccccc12)c1ccc2c(c1)OCO2 1509710 FDQKPVUQXSMPEZ-FOKLQQMPSA-N 357.369 3.814 50 50 FHGA C[C@@H](c1ccccc1)N(Cc1ccc2c(c1)CCC(=O)N2C)C(=O)CCl 2325893155 XBRUUJUODAMQNT-HNNXBMFYSA-N 370.880 3.924 50 50 FHGA CSc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 3903175 BHZMJTWAFGKGRB-UDWIEESQSA-N 350.447 3.871 50 50 FHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(C(F)(F)F)c1 753425 GVINXTXGDDSXFQ-KRWDZBQOSA-N 359.351 3.990 50 50 FHGA O=C(Nc1ccc(Cl)cc1)[C@@H](Cl)C(=O)c1ccc([N+](=O)[O-])cc1 3121899 BIHSQGWXDNBDTI-ZDUSSCGKSA-N 353.161 3.677 50 50 FHGA N#C/C(=C/c1ccc(F)cc1)C(=O)c1ccc(N2CCOCC2)c(F)c1 4051779 NPMGPEMENNBVDV-WJDWOHSUSA-N 354.356 3.591 50 50 FHGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1Cl 2383767 VVIZFDRYXPDDND-UFWORHAWSA-N 370.623 3.736 50 50 FHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OC)cc1 4744780 IUWPENPXKFOIPH-IBGZPJMESA-N 364.401 3.840 50 50 FHGA Cc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)c(C)c1 9015544 CQFLMTWHDNVNJJ-HNNXBMFYSA-N 366.442 3.851 50 50 FHGA C[C@@H]1CCc2c(C(=O)NNC(=S)N[C@H](C)c3ccccc3)csc2C1 2765202 HSACIVVPJNPQKP-CHWSQXEVSA-N 373.547 3.743 50 50 FHGA Cc1sc(/C=N/NC(N)=O)cc1CSc1nc2ccccc2s1 4753612 VDBJQWWYNWORHM-REZTVBANSA-N 362.505 3.961 50 50 FHGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2O)n(-c2ccccc2)n1 5284279 AONUIEAVNIKLDQ-HYARGMPZSA-N 362.433 3.639 50 50 FHGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1 5314333 LOBZPUJSGVEMQA-CIAFOILYSA-N 368.824 3.893 50 50 FHGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1sccc1C 1429635 KWCMRWRGWSWCMJ-LBPRGKRZSA-N 360.460 3.821 50 50 FHGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cccc2cc[nH]c12 1229541 RCVHGPHFDRBYPO-LPYMAVHISA-N 373.372 3.631 50 50 FHGA C/C(=N/NC(=O)c1cncc(Br)c1)c1ccc2c(c1)CCCC2 12342884 ILCVFPCKDISUKK-MTJSOVHGSA-N 372.266 3.877 50 50 FHGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)cc1 946743 SQLVDQSPPIDYGS-LPYMAVHISA-N 362.433 3.745 50 50 FHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)cc1 4210589 IRAKDFWNSZLESG-LFVJCYFKSA-N 372.424 3.907 50 50 FHGA CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(CCC)c32)cc1 4755925 DYPPBSJALHSWPQ-KRWDZBQOSA-N 352.438 3.759 50 50 FHGA COc1ccc(O)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 4210660 VMBXWEGOLTZVHD-LPYMAVHISA-N 363.417 3.572 50 50 FHGA Cc1ccc(S(=O)(=O)c2ccc(NC(=O)C(Cl)Cl)cc2)cc1 5617777 CMHCFPBZLXWOPU-UHFFFAOYSA-N 358.246 3.570 50 50 FHGA C[C@@H](NC(=S)NNC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 17076520 FKAOYISZFYQXNA-CYBMUJFWSA-N 373.547 3.887 50 50 FHGA Cc1ccc(OCC(=O)N/N=C/c2ccccc2Br)cc1C 1213759 RCVIDNSBYXSKMA-VXLYETTFSA-N 361.239 3.595 50 50 FHGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccs3)[nH]n2)cc1 945910 GCFAAPYIIBLNJM-XDHOZWIPSA-N 354.435 3.691 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(SC)cc3)[nH]n2)cc1 5297726 LWWPFUVURHSUSA-UDWIEESQSA-N 366.446 3.571 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(F)cc1F 718027 OHJYOFIZSVREOV-XTZNXHDOSA-N 368.339 3.766 50 50 FHGA Cc1nn(C)c(NC(=O)NNc2c(F)cccc2F)c1-c1ccccc1 1875303549 DBUFSJWGFQPPSS-UHFFFAOYSA-N 357.364 3.822 50 50 FHGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 4135930 VDAJNARPPQJDMI-MDWZQWPHSA-N 364.380 3.653 50 50 FHGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 4312045 VHYAJTPHVUZSKW-AWQFTUOYSA-N 360.204 3.542 50 50 FHGA O=C1c2ccccc2C[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]12 4950399 GPSVPJIXKBATCI-LPTSXCQYSA-N 358.073 3.979 50 50 FHGA COc1ccc(C(Br)Br)nc1Br 100717567 HZVOBTPXEXABGT-UHFFFAOYSA-N 359.843 3.641 50 50 FHGA Cc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)c(C)c1 9015543 CQFLMTWHDNVNJJ-OAHLLOKOSA-N 366.442 3.851 50 50 FHGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 2674759 AJWKLOMLVPXTLC-RGVLZGJSSA-N 355.394 3.556 50 50 FHGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 4335807 SYEZCHLCJBIADO-UFWORHAWSA-N 370.623 3.736 50 50 FHGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(C)cc2)[nH]n1 5319136 ONUHWPRKKQAZOE-PXLXIMEGSA-N 362.433 3.938 50 50 FHGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cccs1 4259630 ZACAQOFSAXPJKG-WOJGMQOQSA-N 356.428 3.793 50 50 FHGA CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@@H](OC(=O)c2ccccc2)[C@@H]1O 169830887 FRSIMGJARWCVSR-ZACQAIPSSA-N 364.514 3.507 50 50 FHGA NC(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2532106 AGNADJUMNTZZFM-SSDVNMTOSA-N 367.792 3.715 50 50 FHGA CCOC(=O)[C@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100006359 RCMRLMJSJGLGEU-IBGZPJMESA-N 363.417 3.932 50 50 FHGA COc1ccc(NC(=O)c2ccccc2NC(=O)C(Cl)Cl)cc1 2876180 CACWKMCAEUXBIJ-UHFFFAOYSA-N 353.205 3.690 50 50 FHGA CC1(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)OCCCO1 4564948 SYFMQHPTNNLFAU-HZHRSRAPSA-N 362.429 3.986 50 50 FHGA COc1cc(/C(O)=C(\C#N)c2nc3ccccc3n2C)cc(OC)c1OC 100609374 YHMAONFUGJZARK-AQTBWJFISA-N 365.389 3.549 50 50 FHGA CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3ccccn3)o2)cc1 2761940 CCKGEUCOWNRVMC-OEAKJJBVSA-N 363.417 3.970 50 50 FHGA COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1C(=O)O 5024326 YHORJBTYQXARLE-DHDCSXOGSA-N 350.374 3.556 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(Cl)c1 625985 LPURLWDRQMJAGD-HNNXBMFYSA-N 350.761 3.665 50 50 FHGA CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)cc1 2907531 LXZUEDQXYOUNKJ-RVZJCZPVSA-N 372.494 3.513 50 50 FHGA C#CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c2ccccc21 4705381 DXUIVWYUYTYFRN-SSZFMOIBSA-N 355.397 3.829 50 50 FHGA CCn1c(SCC(=O)N/N=C/c2ccc(C)cc2)nc2ccccc21 1194545 LULLIACRXMLDGW-UDWIEESQSA-N 352.463 3.607 50 50 FHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(Cl)cccc1Cl 632649 UXRUJLDFQWVDOC-CYBMUJFWSA-N 353.205 3.638 50 50 FHGA COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 752622 ONZUEPFLPAVQKO-YCRPNKLZSA-N 372.424 3.904 50 50 FHGA CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 14010310 LREYPRVDKRRIPU-BKUYFWCQSA-N 363.373 3.911 50 50 FHGA COC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1CCCCCC2 5093768 XYUAADOKGIBIAU-UHFFFAOYSA-N 350.267 3.936 50 50 FHGA O=C(N/N=C/c1ccco1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 9324723 OEPLHDVMDAILPZ-WSDLNYQXSA-N 356.385 3.685 50 50 FHGA S=C=NCC[n+]1ccc(-c2cnc(-c3ccc4c(c3)OCCC4)o2)cc1 263621881 IIGHJDXRMRCXKI-UHFFFAOYSA-N 364.450 3.724 50 50 FHGA O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1F 4795787 MCAZGMZYDMIYKE-UHFFFAOYSA-N 360.147 3.738 50 50 FHGA C/C(=N/NC(=O)c1ccccc1C)c1ccc(NC(=O)C(F)(F)F)cc1 4143653 BKVHENUYUCWJAD-FMCGGJTJSA-N 363.339 3.650 50 50 FHGA Nc1ccc(C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)cc1 40451254 GEKVSQIMIVPIQR-OAHLLOKOSA-N 352.217 3.959 50 50 FHGA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 6219631 LJSZSQVPHABSGJ-IUCAKERBSA-N 363.628 3.757 50 50 FHGA COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 1050651 PEZPZJIKGWVYCJ-DJKKODMXSA-N 353.205 3.531 50 50 FHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1Cl 4283083 ITAHFROPVKHAHC-WSDLNYQXSA-N 365.820 3.890 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(N)O1 705925 XWBGSDWFMLLXCC-LJQANCHMSA-N 364.376 3.651 50 50 FHGA COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 752428 XAECUTLJNKDJEN-HRAATJIYSA-N 372.424 3.904 50 50 FHGA CCc1ccccc1NC(=S)NNC(=O)CSCc1ccccc1 6286447 DPIBPUYVZMAPHY-UHFFFAOYSA-N 359.520 3.500 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccsc2)C(C#N)=C(N)O1 705930 ZEHTUBUZWUKNAN-KRWDZBQOSA-N 352.415 3.573 50 50 FHGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 12371711 RJQNZLGZWAFBDG-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Br)s1 752514 KKXSNSFABZGPSJ-CPFSXVBKSA-N 365.252 3.571 50 50 FHGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1 5296772 IJBJXYDGYIEIAO-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC 169747789 IJROHELDTBDTPH-UHFFFAOYSA-N 368.268 3.723 50 50 FHGA in-vitro CCOc1ccc(NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 1204219 JWRJGCUSLSJMMD-YDZHTSKRSA-N 363.417 3.506 50 50 FHGA in-vitro COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2cccs2)n[nH]1 5296969 VRODBMVAVIMMJR-XLWYYFMFSA-N 352.419 3.576 50 50 FHGA NC(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 3095208 YQTDXLCDMUDVIC-AWQFTUOYSA-N 373.821 3.776 50 50 FHGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cl 2837729 XIAQQOHKMRLQAD-QGZVFWFLSA-N 356.809 3.720 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(O)c1 752675 IPJWFVGKIAOQPB-FOIQADDNSA-N 358.397 3.601 50 50 FHGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccccc1CC=C 4997123 VKSPEQYLARZBJU-PXLXIMEGSA-N 350.418 3.509 50 50 FHGA O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 772626161 CQNNPEUVHAJJEW-PWRODBHTSA-N 371.440 3.512 50 50 FHGA CCOc1ccc(OCC)c([C@H]2[C@@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 19299988 MZSCQJOHTYMNIF-OXQOHEQNSA-N 374.444 3.688 50 50 FHGA Cc1ccc(NCC(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 1228118 SECKQDLXVSJOAO-SSDVNMTOSA-N 352.825 3.759 50 50 FHGA O=C(CCCNc1ccccc1)N/N=C/c1cccc(Br)c1 2996046 SPQTXYBWCPWQSD-DEDYPNTBSA-N 360.255 3.792 50 50 FHGA N#C/C(C(=O)CCl)=C1\NC(c2ccc(Br)cc2)=CS1 5714987 RDFSYWFOBXVHQC-RAXLEYEMSA-N 355.644 3.627 50 50 FHGA COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 632720 CDSAXHHGZVNPFD-IBGZPJMESA-N 352.434 3.831 50 50 FHGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2OC)c(Cl)c1 3086000 CLOFVAHHQGBFAG-FYJGNVAPSA-N 359.857 3.959 50 50 FHGA CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2OCC)cc1 3174735 MFUVRRQWYXYFHF-PXLXIMEGSA-N 354.450 3.957 50 50 FHGA OB(O)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2 202541708 CPFALCJMNUHBHP-UHFFFAOYSA-N 362.237 3.730 50 50 FHGA in-vitro COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 999222 SPEHHGKJHCILHQ-FQEVSTJZSA-N 372.428 3.716 50 50 FHGA N#CC1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@@H]1c1ccccc1F 4751287 IYBHCTDHAYRHLQ-QGZVFWFLSA-N 374.400 3.600 50 50 FHGA O=C(N/N=C/c1ccc(O)cc1O)[C@H]1CC1(c1ccccc1)c1ccccc1 779647 QHSNVIIXLAPFMZ-FBTHGLLTSA-N 372.424 3.554 50 50 FHGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 4209879 JLAHGJVZJJILDX-WSDLNYQXSA-N 361.401 3.587 50 50 FHGA CCc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)s1 1144735 HPIQJOAJEJCMDA-QGZVFWFLSA-N 370.522 3.523 50 50 FHGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1c[nH]c2ccccc12 102293596 XLADFVIGDQMWPZ-BUVRLJJBSA-N 370.497 3.875 50 50 FHGA O=C(CBr)c1c(Br)cc(F)cc1Br 263622713 AEEGAOIWRCUCJI-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA O=C(CBr)c1ccc(Br)c(F)c1Br 263624205 OIQWZJCONSLCLZ-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)NNc1ccncc1 183007836 QGOVLRBRWIXSIW-GQCTYLIASA-N 350.353 3.565 50 50 FHGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cccc([N+](=O)[O-])c1 4209415 XFABAYKYHIOROH-VXLYETTFSA-N 354.753 3.560 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(F)c2)C(C#N)=C(N)O1 875268 KNRFYPAIUXUFFM-LJQANCHMSA-N 364.376 3.651 50 50 FHGA CN(C)c1cc(Nc2ccc(SC#N)cc2)c([N+](=O)[O-])c2nonc12 3904306 DHIAXPBOPAKPHZ-UHFFFAOYSA-N 356.367 3.514 50 50 FHGA CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 1427251 ZFHZOOKVASZQPL-LJQANCHMSA-N 371.440 3.880 50 50 FHGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccccc1O 38162068 FTSNSDIWTRIMLI-HZHRSRAPSA-N 361.445 3.766 50 50 FHGA O=C(CBr)c1c(F)ccc(Br)c1Br 263623074 DLJYQTPKEBVYDL-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(C)s1 1431758 RBPUSJWFVZZGBX-CYBMUJFWSA-N 360.460 3.821 50 50 FHGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2cccc3ccccc23)n[nH]1 1812877 QRLMWOQUJLBNAX-LPYMAVHISA-N 356.385 3.699 50 50 FHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2cccs2)n[nH]1 945814 ZOVMZMSQTJMDIE-RGVLZGJSSA-N 362.414 3.761 50 50 FHGA COc1ccccc1NCC(=O)N/N=C/c1ccc(Cl)cc1Cl 1054905 WCHBBNACAOBINM-AWQFTUOYSA-N 352.221 3.564 50 50 FHGA CC(C)Oc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1 4631452 WMOSTIZWDKCMSW-HNNXBMFYSA-N 352.438 3.713 50 50 FHGA C[Si](C)(C)OC(=O)[C@H]1[C@H]2C=C[C@H]([C@H]1C(=O)O[Si](C)(C)C)[C@@H]1C=C[C@@H]21 230114642 QEWRIHXEVMMUJR-XMEMRUQMSA-N 364.590 3.593 50 50 FHGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1ccccc1F 8223512 RALKSAHBNMWIBC-CYBMUJFWSA-N 367.380 3.599 50 50 FHGA C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]2(O)C#N 253500076 VRSHJJXUDZAQKD-QMFSVNIWSA-N 357.494 3.947 50 50 FHGA biogenic CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OCC)cc2)cc1 2952280 QQMGMRZQCWWFBW-PXLXIMEGSA-N 354.450 3.957 50 50 FHGA Cc1occc1C(=O)NNC(=O)Nc1ccccc1CCC(F)(F)F 225852976 NJTVPGTXEOSZQQ-UHFFFAOYSA-N 355.316 3.549 50 50 FHGA Cc1cc(C)c(C(=O)CCCC(=O)NN=c2cc[nH]cc2Cl)c(C)c1 757421744 DJWAQTOETLCHQH-UHFFFAOYSA-N 359.857 3.578 50 50 FHGA COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1C(=O)O 5023507 GCAGWRYMOIWQCK-DHDCSXOGSA-N 350.374 3.556 50 50 FHGA COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1C(=O)O 16677402 XTOHRQNHHOERBP-WQLSENKSSA-N 356.765 3.592 50 50 FHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)cc1 4746379 CJYPBWNSXYJKFT-LPYMAVHISA-N 366.396 3.769 50 50 FHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 752552 JYORIGWCMGDEFO-HRAATJIYSA-N 372.424 3.904 50 50 FHGA Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 653584 QMTUTEPGRWOFIQ-JKSUJKDBSA-N 359.882 3.770 50 50 FHGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 679956 BDAWTFREBMJFFG-IBGZPJMESA-N 360.392 3.525 50 50 FHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 690784 TVVFIQXLSZUGLZ-QGZVFWFLSA-N 370.884 3.553 50 50 FHGA CC(=O)Oc1ccccc1NP(=O)(c1ccccc1)c1ccccc1 651875 MLHQBCCIHDKECD-UHFFFAOYSA-N 351.342 3.953 50 50 FHGA Cc1cc(I)c(CI)cc1C 238543251 ABDMMHLPLXPXCS-UHFFFAOYSA-N 371.987 3.843 50 50 FHGA Cc1ccc(C)c(CN(C(=O)CCl)c2ccc3c(c2)CCC(=O)N3)c1 2325890211 DAOJNCKNYKAHGS-UHFFFAOYSA-N 356.853 3.960 50 50 FHGA O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)[C@@H](O)c1ccccc1 4996788 AWGHVJVAQRKEIR-XDPLUKDKSA-N 374.400 3.991 50 50 FHGA CCc1ccc(NC(=S)NNC(=O)CSCc2ccc(C)cc2)cc1 6394752 NWPRVBHDXPVYDW-UHFFFAOYSA-N 373.547 3.808 50 50 FHGA N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccc2c(c1)OCO2 17074190 PYWWHSHNUOBHAF-KPKJPENVSA-N 360.291 3.980 50 50 FHGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(C)s2)n[nH]1 8462443 IGVDTHSMABXIRT-YBFXNURJSA-N 354.435 3.609 50 50 FHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1 71782575 LZGCLQZWPCIPCG-HZHRSRAPSA-N 374.396 3.678 50 50 FHGA C[C@@H](Cl)C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 1875363702 SLTVBFDQSLBMAI-GFCCVEGCSA-N 362.823 3.756 50 50 FHGA CC1=C(C#N)[C@H](c2cccc(Br)n2)C2=C(CC(C)(C)CC2=O)N1 636704 UDHARPKFPPJRAT-MRXNPFEDSA-N 372.266 3.972 50 50 FHGA CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 5139155 MNFMIVVPXOGUMX-UHFFFAOYSA-N 355.700 3.977 50 50 FHGA in-vitro C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(CCC)cc1 4372633 LKYYURDYZDQFQT-PXLXIMEGSA-N 352.434 3.733 50 50 FHGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1c(F)cccc1Cl 4927998 XXLYSKCBACWJTM-UFFVCSGVSA-N 356.788 3.942 50 50 FHGA Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 850007 NAKRQXGPNMLJFO-LJQANCHMSA-N 360.392 3.846 50 50 FHGA CC(CCc1ccco1)=NNC(=O)CCC(=O)Nc1cccc(Cl)c1 253476507 XFPBAUGOFBOZRQ-UHFFFAOYSA-N 361.829 3.777 50 50 FHGA O=C(O)CCSSCCNC(=O)c1ccc(C(F)F)c(Cl)c1 1875388808 QZHBXDHIGYZNHF-UHFFFAOYSA-N 369.842 3.864 50 50 FHGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1C1CCCCC1 2283852 XLUWLALVFQUZHQ-KRWDZBQOSA-N 352.434 3.881 50 50 FHGA Cc1cccc(CSCC(=O)NNC(=S)Nc2ccc(C)c(C)c2)c1 2851122 WOSUMWZEQCMRMA-UHFFFAOYSA-N 373.547 3.863 50 50 FHGA O=C(CCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl 75629358 YBAJRIMWOFPRTG-UHFFFAOYSA-N 353.161 3.657 50 50 FHGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CCCC3=O)cc1 713316 IUEWFZZWWCIBGN-NRFANRHFSA-N 371.440 4.000 50 50 FHGA Cc1cc(C)cc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)c1 6399879 DQDHULQAXNGVDX-UHFFFAOYSA-N 365.861 3.656 50 50 FHGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)NCc2ccc(Cl)cc2)cc1 1875258642 HCZBQBMTUMKNPI-WSDLNYQXSA-N 358.829 3.522 50 50 FHGA CCn1c(SCC(=O)N/N=C(\C)c2ccccc2)nc2ccccc21 1193381 PEUFSVQCPXUJOO-KGENOOAVSA-N 352.463 3.689 50 50 FHGA O=[N+]([O-])c1cc(Br)c(NCOCCl)c(Br)c1 5571589 UBVGDQPRJOCXQF-UHFFFAOYSA-N 374.416 3.702 50 50 FHGA CCc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1 18144121 YCKCNGFJXBSDHE-YDZHTSKRSA-N 357.417 3.884 50 50 FHGA COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 918953 BLQHZNOPLNSGHU-DJKKODMXSA-N 353.205 3.531 50 50 FHGA CC1CCC(=NNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 4372902 XKKITIZNWYHQBK-PIJUOVFKSA-N 353.260 3.899 50 50 FHGA CCOc1ccc(NCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 5584875 YWGVGSPMNGOMES-UFFVCSGVSA-N 366.248 3.954 50 50 FHGA O=C(CCCCC1CSSC1)N1CCc2ccc(O)cc2CC1 2325887511 YSHIGMCUEMRJKQ-UHFFFAOYSA-N 351.537 3.891 50 50 FHGA O=C(COc1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12 850715 FKQUBVQKSFUDJT-SRZZPIQSSA-N 354.793 3.728 50 50 FHGA CC1=C(C#N)[C@H](c2ccoc2)C(C(=O)OCc2ccccc2)=C(N)S1 669115 JORMHOILXHNTOR-INIZCTEOSA-N 352.415 3.821 50 50 FHGA Cc1ccc(/C=N/NC(=O)COc2cccc(Br)c2)c(C)c1 1215139 NRPCFAGZRKPODT-VXLYETTFSA-N 361.239 3.595 50 50 FHGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Br)cs1 752542 MMAVVUIKNMQTRY-FUXBKTLASA-N 365.252 3.571 50 50 FHGA C=CCN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 100494397 ILPDGUQJDAXRSH-PGMHBOJBSA-N 374.227 3.660 50 50 FHGA Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1ccc2ccccc2c1 1470718239 BDWYQZQUUKIZMC-LEWJYISDSA-N 373.456 3.577 50 50 FHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)c1 8818053 CFLQQXUBBGCYBL-GIJQJNRQSA-N 360.826 3.564 50 50 FHGA O=C(CCl)N1CCC[C@H](c2nc(-c3cccnc3)nc3ccccc23)C1 1875386996 ITCKVNDACYWESR-HNNXBMFYSA-N 366.852 3.637 50 50 FHGA CCn1c(SCC(=O)N/N=C/c2cccc(C)c2)nc2ccccc21 1477339 YLMDROGQUBDDQD-UDWIEESQSA-N 352.463 3.607 50 50 FHGA CN(C)c1ccc(/C=C(\C#N)C(=O)N2CCc3sc(Cl)cc3C2)cc1 2325884284 OKTMLKDVYZSDFA-NTEUORMPSA-N 371.893 3.959 50 50 FHGA CCc1n[nH]c2c1[C@@H](c1cc(Cl)cc(Cl)c1OC)C(C#N)=C(N)O2 4997682 XLFCTLZXRKQMGW-LBPRGKRZSA-N 365.220 3.506 50 50 FHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 17027225 PQTVEBFPTXVCRX-RGVLZGJSSA-N 354.797 3.503 50 50 FHGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 705506 KDDPRAAYXCPUTO-OAQYLSRUSA-N 371.440 4.000 50 50 FHGA CCOC(=O)c1c(NC(=O)CCl)sc2c(Cl)c(C=O)ccc12 9942944 YNFADEQJLYYXTI-UHFFFAOYSA-N 360.218 3.721 50 50 FHGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1c[nH]nc1-c1cccs1 5297670 LOGLFBYTJVXZOD-DNTJNYDQSA-N 364.352 3.921 50 50 FHGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2568462 GLOLGHFEXGIUQR-UFWORHAWSA-N 370.623 3.736 50 50 FHGA CCCCCCCn1c(=O)c(C(=O)NN=C(C)C)c(O)c2ccccc21 100658394 ZTYWNGZIPKACLH-UHFFFAOYSA-N 357.454 3.803 50 50 FHGA CN(C)c1ccc(/C=C(\C#N)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 8569539 FOBHFSZKVPSKCK-UKTHLTGXSA-N 350.809 3.707 50 50 FHGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Br)cs1 752544 MMAVVUIKNMQTRY-UHLUBPPHSA-N 365.252 3.571 50 50 FHGA CCN(CC)[C@H](CNC(=O)[C@@H](C)Cl)c1ccc(C(F)(F)F)cc1 1875364903 XXKYKJVXTXJZFT-BXUZGUMPSA-N 350.812 3.832 50 50 FHGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1c(O)ccc2ccccc12 2686182 WAGYVRBXRBRRBF-ZWGXDWAISA-N 372.428 3.682 50 50 FHGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccccc2)cc1C 6390921 FRQFSMCNJYIXFQ-UHFFFAOYSA-N 359.520 3.554 50 50 FHGA CCOC(=O)C(C#N)=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2053549731 UGSIUJIZQWDRTQ-UHFFFAOYSA-N 352.346 3.644 50 50 FHGA O=C(CP(=O)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2325809526 FVTUGJIITGIJJF-UHFFFAOYSA-N 365.325 3.792 50 50 FHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(C(C)C)cc1 5614086 MIJKHOZEZARRQN-XQNSMLJCSA-N 367.449 3.710 50 50 FHGA CCOc1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 2856269 HYKXBLIPISXNJE-UHFFFAOYSA-N 368.220 3.859 50 50 FHGA CN(C)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1F 799746445 LITBXAPCLDBHBQ-UHFFFAOYSA-N 366.318 3.539 50 50 FHGA CCn1cc(/C=N/NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cn1 6490295 BUNJAENCIABDSC-DBRLUCFCSA-N 364.474 3.887 50 50 FHGA CC1(C)OC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 169807098 IIEWCDRPCONQME-SFHVURJKSA-N 370.565 3.715 50 50 FHGA in-vitro CCOc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1O 1021204 VSFFPBNYFOPQQI-WSDLNYQXSA-N 370.449 3.752 50 50 FHGA O=C(Oc1ccc(/C=N/NC(=O)C2CCCCC2)cc1)c1cccs1 2531736 QMFUNPCABPWKPI-DEDYPNTBSA-N 356.447 3.998 50 50 FHGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1)c1cccs1 2585062 KRQRUYWZSWFGFE-CIAFOILYSA-N 368.389 3.870 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccc(F)c1 1422113 GFUZAQGMGXMZBR-HNNXBMFYSA-N 350.374 3.619 50 50 FHGA CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(C(=O)O)c2)cc1 4974055 FMMHIABIXOYAQG-GDNBJRDFSA-N 350.374 3.501 50 50 FHGA Cc1c(C(=O)NN=Cc2ccc(Cl)cc2Cl)sc(N)c1C#N 244678462 IDMVZRAIIAIXCU-UHFFFAOYSA-N 353.234 3.581 50 50 FHGA O=C(Cl)c1cccc(CS(=O)(=O)c2ccc(Br)cc2)c1 200522547 QMFJTRAXMWTMFJ-UHFFFAOYSA-N 373.655 3.802 50 50 FHGA CO[C@@H]1[C@@H](C)C[C@@H]2[C@H]1C[C@@]1(C)C(=O)[C@@H](Cl)[C@@H]3C(C)(C)C=C[C@]3(C)[C@@]21O 71786683 OTZMPAWBIPHQEO-WTVAWZRCSA-N 366.929 3.823 50 50 FHGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1 842159 AACSFZHHFUFZFS-GIJQJNRQSA-N 367.630 3.632 50 50 FHGA C/C(=N\NC(=O)C1CC1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 5612588 PSXCQPOMTKRVGV-WSDLNYQXSA-N 355.825 3.843 50 50 FHGA COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 100574413 UVFMHIFONYAHFC-IBGZPJMESA-N 352.434 3.831 50 50 FHGA CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1O 37232394 HGUJAWUUTXUDTM-NTUHNPAUSA-N 364.361 3.948 50 50 FHGA O=C(NNC(=S)NC1CCCCC1)Nc1ccc(Cl)cc1Cl 17074376 CVFNQJGDDPYGGP-UHFFFAOYSA-N 361.298 3.827 50 50 FHGA C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1 5620934 UGQYNKQRQXRWRO-XQNSMLJCSA-N 369.428 3.639 50 50 FHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccccc1F 4751300 XXFOQXKMNKICAH-GOSISDBHSA-N 352.365 3.970 50 50 FHGA O=C(COc1ccccc1Cl)N/N=C/c1c(O)ccc2ccccc12 2379707 HWAOQDJVIGNIHR-SRZZPIQSSA-N 354.793 3.728 50 50 FHGA COc1ccc(/C=N\NC(=O)COc2cc(C(C)C)ccc2C)cc1OC 32649996 DTKYMPUKUQQCQY-UUYOSTAYSA-N 370.449 3.665 50 50 FHGA C#CCOc1ccccc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1 4229872 XXKJEFQGXFKZOV-LFVJCYFKSA-N 371.440 3.870 50 50 FHGA CCn1cc(/C(C)=N/NC(=O)C2c3ccccc3Oc3ccccc32)c(C)n1 5878915 MEOJSVZNEPJGPX-OEAKJJBVSA-N 374.444 3.989 50 50 FHGA COc1c(Cl)cc(Cl)cc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 850719 AGHYUAVEBFQYAR-QGMBQPNBSA-N 368.176 3.674 50 50 FHGA CCCc1c(OCCCI)ccc(C(C)=O)c1O 2529311 ITBCLTJCRPERNE-UHFFFAOYSA-N 362.207 3.751 50 50 FHGA COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C 195994157 GDGVOGGJKRMIOF-STQMWFEESA-N 359.539 3.559 50 50 FHGA O=C(Nc1ccc(Cl)cc1)[C@H](Cl)C(=O)c1ccc([N+](=O)[O-])cc1 3121900 BIHSQGWXDNBDTI-CYBMUJFWSA-N 353.161 3.677 50 50 FHGA C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cccc2cccnc12 1211084 AACYNLOMCOGAAU-CAUYNWHBSA-N 370.412 3.701 50 50 FHGA CC(C)(C)OC(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 217461354 AYZIFHUAPQCMQR-UHFFFAOYSA-N 354.406 3.965 50 50 FHGA COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1 844790 OCLSYFGXUALECK-DJKKODMXSA-N 353.205 3.531 50 50 FHGA Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 850006 NAKRQXGPNMLJFO-IBGZPJMESA-N 360.392 3.846 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(F)c(F)c1 718021 RYISCUCZFRYFAM-VOJFVSQTSA-N 368.339 3.766 50 50 FHGA O=C(NNC(=O)c1ccc(O)cc1)Nc1cc(Cl)c(Cl)cc1Cl 2166036 UTXOITMSAMODTF-UHFFFAOYSA-N 374.611 3.819 50 50 FHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(O)c1 752674 IPJWFVGKIAOQPB-YWZLYKJASA-N 358.397 3.601 50 50 FHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CC[C@]34O[C@H]3C(=O)CC[C@@]14C[C@H]1O[C@H]1C2 257359273 ZIIMGLGIENRQEF-YIJIWNFCSA-N 364.558 3.835 50 50 FHGA CCCCCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl 2779715 DXNHYKGASVCZHR-UHFFFAOYSA-N 361.269 3.880 50 50 FHGA CNc1ccc(/C=N\NC(=O)Cc2cccc3c2CCCC3)c(Cl)c1 43761199 AZVRBMCRDKPFKJ-QRVIBDJDSA-N 355.869 3.953 50 50 FHGA Cc1cccc(NCC(=O)N/N=C/c2cc3ccccc3nc2Cl)c1 816762 BSNMNTIOZBXLIU-SSDVNMTOSA-N 352.825 3.759 50 50 FHGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccccc1[N+](=O)[O-] 1213576 PARZEVOWWRKIID-CGZFJWOTSA-N 374.194 3.746 50 50 FHGA O=C(Cc1ccccc1)N/N=C/c1cc(Br)cc(Cl)c1O 989408 RBWULQHYARRUKT-GIJQJNRQSA-N 367.630 3.501 50 50 FHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccccc1 4259068 BJOUWSVDMIFPIW-OEAKJJBVSA-N 362.360 3.809 50 50 FHGA CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(CCC)c32)cc1 4755926 DYPPBSJALHSWPQ-QGZVFWFLSA-N 352.438 3.759 50 50 FHGA CC(C)CNC(=S)NNC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2 17075509 JVGKMJVJFLYEHM-GFCCVEGCSA-N 367.584 3.664 50 50 FHGA O=C(CCl)N1CCC(c2nc(-c3cccnc3)nc3ccccc23)CC1 1875386998 ITTXFESNHYRVTJ-UHFFFAOYSA-N 366.852 3.637 50 50 FHGA C=CCc1cccc(/C=N/NC(=O)c2ccccc2Br)c1O 1192752 MXWCDSAVLYRSGT-YBFXNURJSA-N 359.223 3.647 50 50 FHGA CC(=C/c1ccccc1)/C=N/NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 43761062 ZHYGRGLMTRVDEC-SVRPEPRISA-N 353.378 3.568 50 50 FHGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2C)C(C#N)=C(N)O1 705963 CXGXEBSOIYCEHT-HXUWFJFHSA-N 360.413 3.820 50 50 FHGA O=C(CBr)c1c(Br)ccc(Br)c1F 263622699 ABYUOSRCBFELQM-UHFFFAOYSA-N 374.829 3.928 50 50 FHGA CC(=NNC(=O)[C@@H](C)Nc1cccc(Br)c1)c1ccccc1 245239384 IHFAPEZNXXGKAT-CYBMUJFWSA-N 360.255 3.790 50 50 FHGA CCCCCCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 2779706 QWXGCTSZZWTNEE-VCHYOVAHSA-N 369.259 3.988 50 50 FHGA CCCCOc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1 2843541 DAZVGWNVLSLILT-GOSISDBHSA-N 356.422 3.510 50 50 FHGA O=C(CF)NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1 939050 PQHZNYQCLRWJPG-UHFFFAOYSA-N 372.163 3.690 50 50 FHGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc3ccccc3c2)n[nH]1 8837073 FERYJDJBTFZCOH-LPYMAVHISA-N 356.385 3.699 50 50 FHGA O=C(N/N=C\c1cc(Cl)ccc1O)c1ccc(Br)cc1 32565744 DSIQURWTWFNELP-IUXPMGMMSA-N 353.603 3.572 50 50 FHGA Cc1cccc(Oc2ccc(NC(=O)NNC(=O)c3ccncc3)cc2)c1 182908731 SGFYPCOJVAMRFT-UHFFFAOYSA-N 362.389 3.649 50 50 FHGA Cc1ccc(C(=O)NNC(=O)c2cc3cc4ccccc4nc3s2)cc1 1399183 KZMWUDMIZXUWCJ-UHFFFAOYSA-N 361.426 3.833 50 50 FHGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)o1 654055 PVWHFHMOORRRTM-YDZHTSKRSA-N 356.385 3.962 50 50 FHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OC)cc1 4744782 IUWPENPXKFOIPH-LJQANCHMSA-N 364.401 3.840 50 50 FHGA CC(C)n1ncc(C(=O)NNc2ncc(Cl)cc2Cl)c1C1CC1 133000891 WBWMXEUKHXPVQQ-UHFFFAOYSA-N 354.241 3.800 50 50 FHGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1228729 KFPYOKZJYMQCAQ-NHCUHLMSSA-N 356.425 3.918 50 50 FHGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1oc2ccccc2c1C 2856001 WHMCLSWEUFQHCK-UHFFFAOYSA-N 373.796 3.870 50 50 FHGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2oc1=O 4737288 YWECIXGZLCYRMQ-QRVIBDJDSA-N 372.380 3.806 50 50 FHGA N#Cc1ccc(NNC(=O)c2ccc(Cl)cc2O)c(C(F)(F)F)c1 799748039 MXGOXTBOZSLVMT-UHFFFAOYSA-N 355.703 3.693 50 50 FHGA CC[C@H](NC(=O)[C@@H](C)Cl)c1noc(-c2cccc(Br)c2)n1 1875364000 HDLVMWROLRYHCR-KCJUWKMLSA-N 372.650 3.694 50 50 FHGA O=C(CCl)N[C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)nc1 1875377353 CQYIKMWIISGAOI-CQSZACIVSA-N 361.175 3.781 50 50 FHGA O=C(N/N=C/c1cccs1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 3903123 PNNBHVXABVPFIA-RGVLZGJSSA-N 354.479 3.703 50 50 FHGA CCOc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 2521737 MHAPMUDRPCACFQ-KEBDBYFISA-N 367.232 3.921 50 50 FHGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1F 1422112 YWCFQCUDCHRJQR-OAHLLOKOSA-N 350.374 3.619 50 50 FHGA O=C(N/N=C/c1cccc2cccnc12)c1cccc(Br)c1 1210738 KRBHBSBMKXNCCM-RGVLZGJSSA-N 354.207 3.761 50 50 FHGA COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3s2)cc1 5175437 UANAGTVKMLSKDA-UDWIEESQSA-N 371.487 3.937 50 50 FHGA O=C(CCl)N[C@H](Oc1nc2ccccc2s1)C(Cl)(Cl)Cl 5740118 VSPWBYGLHUHGSD-SECBINFHSA-N 374.076 3.726 50 50 FHGA CCOc1ccccc1-c1cc(C(=O)N/N=C/C=C/c2ccccc2)[nH]n1 4677664 MSNJQFVXRTYSOB-VMIYJPFUSA-N 360.417 3.904 50 50 FHGA CCOc1ccc(OCC)c([C@@H]2[C@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 830355 MZSCQJOHTYMNIF-JXFKEZNVSA-N 374.444 3.688 50 50 FHGA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 676310 QRKLTBIOUJIKMZ-OHBSIKEHSA-N 362.216 3.783 50 50 FHGA CCOc1ccc(OCC)c([C@H]2[C@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 830354 MZSCQJOHTYMNIF-OXJNMPFZSA-N 374.444 3.688 50 50 FHGA C[C@@H](Cl)C(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 1875364752 SLCSISREMAXNJC-HIFRSBDPSA-N 362.823 3.527 50 50 FHGA CC(C)C[C@H]1C[C@](C)(c2csc(NNC(=O)c3ccccc3)n2)OC1=O 819890 SUGQVMVKDZYGDL-IFXJQAMLSA-N 373.478 3.724 50 50 FHGA O=C(NNC(=O)c1sccc1-n1cccc1)Nc1ccc(Cl)cc1 1394323 LVRRJCZJDJKXCV-UHFFFAOYSA-N 360.826 3.659 50 50 FHGA COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1O 4209492 BFUPAGNCSUXEOG-LPYMAVHISA-N 363.417 3.572 50 50 FHGA Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=O)Nc2ccc(F)c(Cl)c2)cc1 13322184 JPRSDTJOARMQIK-ZIAGYGMSSA-N 361.804 3.744 50 50 FHGA CC(=NNC(=O)[C@@H](C)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 252428301 XJTPOFJXVZHWFQ-GFCCVEGCSA-N 360.801 3.589 50 50 FHGA Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 653586 QMTUTEPGRWOFIQ-HZPDHXFCSA-N 359.882 3.770 50 50 FHGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)[nH]n2)c1 5126093 GRSYTGSKGZRRMW-CIAFOILYSA-N 368.824 3.893 50 50 FHGA CO[C@H](C(=O)N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1 6180311 BUNTXJAJWHCYDI-RHLNUJDMSA-N 353.809 3.726 50 50 FHGA COc1cccc(CN(C)C(=O)[C@H](C)Cl)c1OCc1ccccc1F 1875380150 GLWOCIOGSJVVQL-ZDUSSCGKSA-N 365.832 3.999 50 50 FHGA CCc1c(C(=O)N/N=C/c2c[nH]nc2-c2ccc(F)cc2)csc1C 651727 VSZVQVNTYDWDHD-ZVBGSRNCSA-N 356.426 3.912 50 50 FHGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 2903619 QQSXAXFTOCTYPU-CIAFOILYSA-N 351.793 3.582 50 50 FHGA COc1ccc(-c2cc(C(=O)N/N=C\c3ccc(C(C)C)cc3)[nH]n2)cc1 31841325 PKNQNJXWARYDKM-XKZIYDEJSA-N 362.433 3.973 50 50 FHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 729234 FEKLRNGFXAVLKT-CQSZACIVSA-N 366.339 3.740 50 50 FHGA CCOc1cccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)c1 4135962 NCDISEHGAIZTSP-QNUVFLEMSA-N 360.417 3.904 50 50 FHGA