smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cccc(/C=N/NC(=O)CNc2ccc(Cl)cc2Br)c1 1433577 SQHDTQBEPUNEGR-AWQFTUOYSA-N 396.672 3.673 50 40 GHGB CCn1c(C)nc2cc(C(=O)NNC(=O)Cc3cccc4ccccc34)ccc21 3300584 HGLUKNGTFCAKHP-UHFFFAOYSA-N 386.455 3.522 50 40 GHGB COc1ccc(-c2ccc(/C=N/NC(=O)CCc3ccccc3)o2)c([N+](=O)[O-])c1 5513369 UDAFMTLSDNUWOG-HYARGMPZSA-N 393.399 3.946 50 40 GHGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1cccc(Cl)c1 100089526 OLALFVNTYGTBCW-ZMOGYAJESA-N 387.911 3.921 50 40 GHGB Cc1ccccc1NNC(=O)/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 408531395 LUKHCZLSNUCCSF-MDZDMXLPSA-N 375.388 3.517 50 40 GHGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cccc(OC)c2OC(C)C)c1 409020826 UKBYOXFVRKLXFH-QRVIBDJDSA-N 384.476 3.882 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OC)ccc2nc1Cl 870403 INKDDAZDANENDU-QGZVFWFLSA-N 399.834 3.542 50 40 GHGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C(F)(F)F)cc3)CC2=O)cc1 409252959 ACVGFMZAFZZPHL-PGRIZOJTSA-N 389.377 3.517 50 40 GHGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 216064958 LTJPPQWLYRCMQG-KGENOOAVSA-N 385.420 3.936 50 40 GHGB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1 13110749 QGGMQELUNZEODX-JBIXHZNNSA-N 387.480 3.504 50 40 GHGB CCOc1ccc2cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)nc2c1 855968 CPPKVIPAZUDEBV-SRZZPIQSSA-N 398.806 3.959 50 40 GHGB CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1cc(OC)ccc1O 2750367 SHZQOSDNJPXIKH-BTZNOAQDSA-N 375.856 3.703 50 40 GHGB Cc1cccc(OCC(=O)NNC(=O)c2cccc(Oc3ccccc3)c2)c1 3364262 JLEXGWIGEXSZSV-UHFFFAOYSA-N 376.412 3.627 50 40 GHGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2oc1=O 4785423 NMWDSABWKAMRQY-KEBDBYFISA-N 385.763 3.509 50 40 GHGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Cc1ccccc1 5938465 ZFRYVMQTXLREFO-UHFFFAOYSA-N 381.259 3.543 50 40 GHGB CCOc1cccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1O 6156041 ZPAVSZADEZZFHO-VXLYETTFSA-N 385.401 3.678 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC 50704878 NDSINJIJCQFUAE-LFIBNONCSA-N 391.427 3.968 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 3255142 OODLXWUZYFQMCP-XNTDXEJSSA-N 384.819 3.746 50 40 GHGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC(=O)CCl 1107321 HNWJHZPQJHATMX-UHFFFAOYSA-N 382.894 3.644 50 40 GHGB Cn1cc(C(=O)NN=C(c2ccccc2)c2ccccc2)c(-c2cccnc2)n1 58429523 SRQQIOVAKWNJLS-UHFFFAOYSA-N 381.439 3.665 50 40 GHGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1cccc([N+](=O)[O-])c1 4670356 OPLJOAXQYCSYGW-SRZZPIQSSA-N 388.811 3.691 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2ccc3ncsc3c2)c(C)n1-c1ccccc1 5694324 STDKGEBNOXHXDQ-UHFFFAOYSA-N 390.468 3.779 50 40 GHGB O=C(NN[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 408734078 IBMSOJDCPNDSKV-IBGZPJMESA-N 379.847 3.954 50 40 GHGB C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1O 408677948 WDZMVODZLDYSES-LFVJCYFKSA-N 393.487 3.884 50 40 GHGB C/C(CC(=O)Nc1cccc(Br)c1)=N\NC(=O)Cc1cccs1 101960348 UBPAYFWZSLFPHL-YBFXNURJSA-N 394.294 3.574 50 40 GHGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNc1ccc(Cl)c(Cl)c1 984126 WDTKISIYEAVRCV-CQSZACIVSA-N 382.272 3.940 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)cc1OC 15938798 WUUSOOBFAFNEMT-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CCn1c(SCC(=O)N/N=C(/C)c2ccccc2)nnc1-c1ccc(C)cc1 4679521 WWSFSRAPNPSUGS-JWGURIENSA-N 393.516 3.906 50 40 GHGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408897903 JIOFLAYGIGDPQG-WUXMJOGZSA-N 387.779 3.811 50 40 GHGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1 8043638 PJAJQJJGXSADGP-LPYMAVHISA-N 379.416 3.628 50 40 GHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(Cl)c1 840374 QQDAYGYCXXIUOF-VIFPVBQESA-N 387.650 3.875 50 40 GHGB CCOc1cccc2cc([C@@H](C)NC(=O)NNC(=O)c3ccc(F)cc3)oc12 32802147 JBVFBFYVYCFACG-GFCCVEGCSA-N 385.395 3.676 50 40 GHGB O=C(NNC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccccc1 24429425 DVSQVQIZXSVLBC-UHFFFAOYSA-N 387.277 3.722 50 40 GHGB COc1cc2c(cc1/C=N\NC(=O)c1ccc(-n3c(C)ccc3C)cc1)OCO2 409096239 JWCKOTJFRBYVBF-FMCGGJTJSA-N 391.427 3.595 50 40 GHGB Cc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1 409256677 MYSUZKBUVCGFAD-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)cc1[N+](=O)[O-] 409377146 FDNIKUTXXYGLKT-WSDLNYQXSA-N 384.436 3.536 50 40 GHGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(Br)cc1 33325968 UHVPMGDWQUDCGB-CNHKJKLMSA-N 381.613 3.595 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1O 13967044 VGQFICBAUPEKSX-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB COc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 16291892 RCQAUJHAKNYTGX-MTJSOVHGSA-N 379.372 3.936 50 40 GHGB Cc1cc2c(c(=O)n1C)[C@H](c1cccc(Oc3ccccc3)c1)C(C#N)=C(N)O2 20086796 YRILTSSDUGOFNO-HXUWFJFHSA-N 385.423 3.704 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC(=O)c2cccs2)cc1 709765 OLHORZVZNPZQGU-GOSISDBHSA-N 392.436 3.782 50 40 GHGB O=C(CCc1ccccc1)NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 788183 MVKALUYYVCUZDP-QFIPXVFZSA-N 384.479 3.773 50 40 GHGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 5526571 IUDCUFYKYLEWBG-AWQFTUOYSA-N 383.231 3.783 50 40 GHGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C(C)(C)C)cc1 8733159 QNHRPSKTEUVWGZ-HNNXBMFYSA-N 383.330 3.993 50 40 GHGB Cc1ccc(N2C(=O)[C@H](C)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 12579915 PMDOUUQFERPRMN-OBAOGOGRSA-N 377.469 3.515 50 40 GHGB O=C(N/N=C/c1cccc(O)c1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 13331866 OABURXHWPHLGJX-QGMBQPNBSA-N 375.793 3.932 50 40 GHGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(Cl)cc1 27757568 ZAPYNJIBHANICF-UHFFFAOYSA-N 393.830 3.667 50 40 GHGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccc(I)c1 408720699 CMMIRSIYTPNRIY-FHVBXRPFSA-N 382.245 3.568 50 40 GHGB O=C(N/N=C/c1c(F)cccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 408972367 SFCIVQJXYXXIDA-IFRROFPPSA-N 388.613 3.875 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)c(OC)c1 409009555 AXERXBIVXUQRJF-FMNVXAMXSA-N 394.427 3.655 50 40 GHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 409381182 KPFIWMCUSQGHQZ-BOPFTXTBSA-N 375.384 3.740 50 40 GHGB CC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 7946722 GHFIGABLRRLCGA-RGVLZGJSSA-N 383.249 3.772 50 40 GHGB CN1C(=O)c2ccc(NC(=O)NN(c3ccccc3)c3ccccc3)cc2C1=O 32909498 ZDILLGAKCIGUHC-UHFFFAOYSA-N 386.411 3.787 50 40 GHGB Cc1ccc(C)c(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)c1 19948250 ZRSCYXYXQNWUJC-UHFFFAOYSA-N 399.516 3.545 50 40 GHGB COCCCNC(=O)/C(C#N)=C/c1cn(Cc2cccc(F)c2)c2ccccc12 5015248 QSFAQLBAAAYJGD-QGOAFFKASA-N 391.446 3.888 50 40 GHGB COc1cc(-c2nc3ccc(NC(=O)CCl)cc3o2)cc(OC)c1OC 226328176 VPVSDLOSNXPMHD-UHFFFAOYSA-N 376.796 3.698 50 40 GHGB Cc1cc(C)nc(S[C@@H](C)C(=O)N/N=C/c2ccccc2C(F)(F)F)n1 1445514 PQOBKIRWTYMTPG-NLTBIBMSSA-N 382.411 3.743 50 40 GHGB C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)C(C)(C)C 409186002 UVFGIWSIHZZDLI-BUVRLJJBSA-N 376.460 3.597 50 40 GHGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cc2cc([N+](=O)[O-])ccc2o1 408963418 BODQGNRPECUMJQ-WSJMPXRGSA-N 380.316 3.678 50 40 GHGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Cl)c1O 8112381 OMWTYTAQMBIOCP-AWQFTUOYSA-N 383.231 3.627 50 40 GHGB COc1cccc(C(=O)N(NC(C)=O)c2nc3c(Cl)cccc3s2)c1 36353453 FPUMZQPSNJPLEV-UHFFFAOYSA-N 375.837 3.656 50 40 GHGB CN(C)c1oc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1Br 408854989 BONMKCADRDBCAM-IUXPMGMMSA-N 385.649 3.917 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2cc3ccccc3n2Cc2ccccc2F)n1 40145255 CRLSHYHTKWXOEY-UHFFFAOYSA-N 389.434 3.992 50 40 GHGB CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2ccccc2)c1C 792615 MZTSIJRGKUSACK-UHFFFAOYSA-N 380.853 3.663 50 40 GHGB CCOC(=O)/C(C#N)=C1\C=C(C/C(SC)=C(\C#N)C(=O)OC)CC(C)(C)C1 5472314 JUHDLVNPKDPQBV-FZIQOSRTSA-N 388.489 3.820 50 40 GHGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1cc2c(s1)CCC2 14075158 AXIWOMZODFSUBX-UHFFFAOYSA-N 392.480 3.744 50 40 GHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 32508923 BNHRKUGIBFFYHX-DWOMLUCJSA-N 382.203 3.819 50 40 GHGB CCCOc1c(I)cc(C=C(C#N)C#N)cc1OCC 36622914 FCBSMOQJNHEKLY-UHFFFAOYSA-N 382.201 3.909 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cccc(OC)c3)o2)cc1 100279075 HZLQNYYGOSEPHF-XKZIYDEJSA-N 378.384 3.506 50 40 GHGB O=C1[C@@H]2C[C@@H]3[C@@H]4[C@H]2[C@@]2(Cl)[C@H](Cl)[C@](Cl)([C@@H]13)[C@]4(Cl)C2(Cl)Cl 100488113 IZHZFAQWVKBTSL-FFKWCUNTSA-N 380.913 3.809 50 40 GHGB Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1cccc2ccccc12 408587026 DOVLAELPBCCJHQ-BUVRLJJBSA-N 391.471 3.851 50 40 GHGB N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1805753 AGWMMQOHLBTXJQ-UKTHLTGXSA-N 390.424 3.614 50 40 GHGB Cc1cc(C)c(/C=N/NC(=O)CC(=O)N/N=C/c2c(C)cc(C)cc2C)c(C)c1 2096239 DHSZXYZDBDGGPQ-DWGHPKEWSA-N 392.503 3.528 50 40 GHGB CC/C(=N/NC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 5523041 ISESXWZOVIDQMY-XLNRJJMWSA-N 382.420 3.552 50 40 GHGB CC(=O)[C@@H](C(=O)Nc1c(C)cccc1C)[C@H]1C(=O)c2ccccc2C(=O)[C@H]1Cl 5711417 QAYXHDRQVUEBDA-KURKYZTESA-N 397.858 3.750 50 40 GHGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCCc1cccs1 8294295 CJGOHDOYIILZKT-UHFFFAOYSA-N 385.514 3.964 50 40 GHGB CCCCc1[nH]nc2c1[C@H](c1ccc(Br)cc1F)C(C#N)=C(N)O2 8783195 SASMPZMNEYQMPE-CQSZACIVSA-N 391.244 3.872 50 40 GHGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N32)c1 12275326 IOAUFNILLCATQA-PGRDOPGGSA-N 392.480 3.647 50 40 GHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 20244109 KCSQLPLOMOTXLJ-ZVHZXABRSA-N 395.503 3.651 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc1Br 100231069 AFPJHKUEMYEVQI-MONNTPTFSA-N 378.314 3.792 50 40 GHGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc21 409246919 KZWRTIDNEMDNNQ-JIHKLPAASA-N 387.439 3.599 50 40 GHGB COc1cc(C(=O)N/N=C\c2ccc(O)cc2)ccc1OCc1ccccc1 409331955 ITILVYAJBOCWIH-UCQKPKSFSA-N 376.412 3.744 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)n1 40145252 NYFJHOXWCLLSGY-UHFFFAOYSA-N 395.511 3.782 50 40 GHGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)NC1CCCCCC1 15224596 MKCGMNZYMOGXJA-LFVJCYFKSA-N 393.487 3.555 50 40 GHGB CC1=CC[C@](C(=O)O)(C(=O)N/N=C/c2ccccc2)[C@@H](c2ccc(F)cc2)C1 8782834 AMEKPZDRILJLHP-CYGKLBIGSA-N 380.419 3.871 50 40 GHGB CC(=O)N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1 941192 YWIZATWSEGXQDW-HNNXBMFYSA-N 390.634 3.833 50 40 GHGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408800871 PZTGWSHACJDOIG-SFQUDFHCSA-N 392.411 3.592 50 40 GHGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 408800030 MYOPDHORCXIKDU-DRHRHSHTSA-N 386.448 3.832 50 40 GHGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 5883900 SVDIRDPOOSVCIS-GOSISDBHSA-N 388.427 3.789 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 4953657 MWPWNKNGYABQMY-KPKJPENVSA-N 387.779 3.811 50 40 GHGB C[C@@]1(C(=O)N/N=C/c2ccc(O)cc2)NC2(CCCCC2)Cc2ccccc21 408734493 UMEXWJJXWQCTPR-ZHNJOBQTSA-N 377.488 3.606 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(Br)cc2)cc1Cl 408591214 SACYQNVMNZEWCF-DJKKODMXSA-N 397.656 3.884 50 40 GHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Br)o1 33339487 DOEUWVMOAFNBIM-FMQZQXMHSA-N 392.036 3.878 50 40 GHGB C[C@H]1CCCCC1=NNC(=O)CCC(=O)Nc1ccccc1Br 5696825 XOBCLYPJKXSZBA-LBPRGKRZSA-N 380.286 3.850 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 1011058 COBBABPVHYMWCQ-WSDLNYQXSA-N 382.803 3.991 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccccc2Cl)o1)[C@@H]1COc2ccccc2O1 13598033 QDAPJGDTFDWBOV-SNINMWPCSA-N 382.803 3.890 50 40 GHGB Cc1ccc(S(=O)(=O)N2CC[C@@H](Br)C(=O)c3ccccc32)cc1 692282 ROMIWXZYHPTADM-OAHLLOKOSA-N 394.290 3.540 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1 2393315 SLSIFYVLHUWLEZ-SDNWHVSQSA-N 376.368 3.550 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)/C=C/c2ccco2)c1 4544140 KTIPYIGJSWYJTG-KBNLXNBLSA-N 390.395 3.671 50 40 GHGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OC 5906358 YVZBEONVNPSLPN-RGVLZGJSSA-N 378.881 3.990 50 40 GHGB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1c(F)c(F)cc(F)c1F 7015624 DKESKHFVJPQQFU-HWPZZCPQSA-N 397.372 3.531 50 40 GHGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1 12275701 ZXKZCHSBYPNYMP-AVRDEDQJSA-N 392.480 3.647 50 40 GHGB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)c1ccco1 32779760 QYBBTESHBCUYEP-UHFFFAOYSA-N 380.187 3.625 50 40 GHGB N#C/C(=C/c1ccccc1I)C(=O)NCc1ccccc1 97990501 PJPTTZIFAYQBEB-GDNBJRDFSA-N 388.208 3.515 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1O 409052578 KQCQEWJAOIEDBJ-UFWORHAWSA-N 397.656 3.889 50 40 GHGB CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21 409126301 OLTGDQHVHPWMAG-KRWDZBQOSA-N 387.233 3.772 50 40 GHGB Cc1ccc(COc2ccc(/C=N/NC(=O)CNC3CCCCC3)cc2)cc1 409383497 VYLYPLSUWZWSTM-MFKUBSTISA-N 379.504 3.946 50 40 GHGB O=C(NNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccncc1 6234919 JQHOKLFPOOHOGH-UHFFFAOYSA-N 376.199 3.723 50 40 GHGB N#CC(C#N)=C(N1CCCCC1)[C@@]1(C#N)[C@@H](c2ccccc2Cl)C1(C#N)C#N 66089433 WHRPAZDALPKPAO-GHTZIAJQSA-N 386.846 3.768 50 40 GHGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 408740965 FTUXQMKYQZBCCF-WDZFZDKYSA-N 388.177 3.609 50 40 GHGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)N2NC=C(C#N)C2=N1 9531409 AZQKIEAFODESJJ-SFHVURJKSA-N 375.457 3.650 50 40 GHGB COc1ccc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc1Cl 408770783 AMROXTTXZCDNOE-WCCUMIBRSA-N 377.835 3.556 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1cccs1 3102314 VVYQIRGZNGCIIO-LPYMAVHISA-N 395.440 3.525 50 40 GHGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)CC(C)(C)C)cc2)cc1 3360214 LRJHSEHMTBOVEY-UHFFFAOYSA-N 384.476 3.862 50 40 GHGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1OC 4908248 UVTDJJSERFNSCR-QGZVFWFLSA-N 382.464 3.939 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 4959781 MNCJUXXRKHTSPH-WOJGMQOQSA-N 389.411 3.609 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1OCc1ccccc1 5795971 GQLULARHODIZIA-OAQYLSRUSA-N 390.439 3.910 50 40 GHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(OC)cc(OC)c1 6380569 YMMYQAYWPQLYTM-BUVRLJJBSA-N 388.423 3.633 50 40 GHGB COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1coc2cc(C)c(C)cc12 12803074 VMKDEUIFUSJZKA-UHFFFAOYSA-N 386.835 3.715 50 40 GHGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1 58884342 ZAZMZOAARVPXFY-YDZHTSKRSA-N 394.862 3.836 50 40 GHGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 59444779 WRYLWUIKJZWAQT-SCDVKCJHSA-N 388.613 3.875 50 40 GHGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)N3CCOCC3)cc2[C@H](C)CC1(C)C 208315486 BAKOTHUVUDYMSW-UEXNTNOUSA-N 381.520 3.873 50 40 GHGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cccc(N(C)C)c1 409228180 VKISCBGTOJRDHR-XQNSMLJCSA-N 380.492 3.515 50 40 GHGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 27562892 BNHRKUGIBFFYHX-SNVBAGLBSA-N 382.203 3.819 50 40 GHGB CC(C)c1ccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 33926994 AISSSNZXCWFHPV-VXKWHMMOSA-N 385.515 3.944 50 40 GHGB O=C(O)c1c(F)c(F)c(C[C@H](Br)CBr)c(F)c1F 103564191 OBXJPXKXPWTMFH-VKHMYHEASA-N 393.956 3.642 50 40 GHGB COc1cc(CCC(=O)NNc2cccc(C(F)(F)F)c2)cc(OC)c1OC 58325179 APVOLCCDVYONQL-UHFFFAOYSA-N 398.381 3.807 50 40 GHGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1-n1cccc1 4062992 DIKWKPNZSVRRKP-UDWIEESQSA-N 384.233 3.709 50 40 GHGB C[C@H]1CCC[C@@H](C)N1CCC(=O)NNC(=S)Nc1cccc2ccccc12 5894268 MSAHAUMVTDPFJF-IYBDPMFKSA-N 384.549 3.810 50 40 GHGB C/C(=N\NC(=O)Nc1ccccc1)c1cccc(I)c1 408782512 JJCPTPSFCAIASV-WOJGMQOQSA-N 379.201 3.837 50 40 GHGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 409093632 BKOSFJLMPXGPHI-CIAFOILYSA-N 378.259 3.594 50 40 GHGB O=C(CSc1nc2ccccc2o1)NNc1c(F)c(F)c(F)c(F)c1F 28335986 IRRVOSIQBBEXTR-UHFFFAOYSA-N 389.305 3.759 50 40 GHGB O=C(c1c(F)c(F)c(F)c(F)c1F)[C@@H](Br)CBr 575358622 JEWGOVOSWMFQBW-REOHCLBHSA-N 381.920 3.723 50 40 GHGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)O 59302629 RGCSSEKXDIOYNV-KTMXNEEYSA-N 381.215 3.609 50 40 GHGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C(C)C)cc1 408602616 CUUHQKAZPLDDGG-KRWDZBQOSA-N 382.489 3.758 50 40 GHGB O=C(CSCc1ccc2ccccc2c1)NN=C1C(=O)Nc2ccccc21 408724696 AAYBCUPRHFTCPB-UHFFFAOYSA-N 375.453 3.546 50 40 GHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1 408759248 ANCHNMWZELSBCL-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 409200257 HIEMKFYGOZVODI-MTJSOVHGSA-N 395.371 3.539 50 40 GHGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Cl)cc(Cl)c1O 59417049 CGGUXXQHWVXEJH-FBCYGCLPSA-N 395.271 3.818 50 40 GHGB CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 408711707 GZVVJJNUEFCPHZ-DEDYPNTBSA-N 375.266 3.931 50 40 GHGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1OCc1ccccc1 6210534 QWLQFRIAZQRGAU-BUVRLJJBSA-N 384.439 3.986 50 40 GHGB CCOC(=O)c1c(C)oc2ccc(OCC(=O)N/N=C/c3ccc(F)cc3)cc12 1463675 VHQIXVRPPSBRTA-FOKLQQMPSA-N 398.390 3.586 50 40 GHGB N#CC1=C(SCC(=O)Nc2cccc(F)c2)NC(=O)C[C@H]1c1ccccc1F 3248539 YWOIPLOYVIOVNH-HNNXBMFYSA-N 399.422 3.675 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 409252599 UCUABCOZDLEOOG-OEBVFIGYSA-N 393.487 3.595 50 40 GHGB C/C(=N\NC(=O)c1cccnc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 19720126 ZMZKZTNRWARGPQ-ZVBGSRNCSA-N 376.199 3.649 50 40 GHGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(O)c(Br)c1 409245028 MJFHTVKVNWNKKG-UWVJOHFNSA-N 385.620 3.640 50 40 GHGB O=C(N/N=C/c1cccc(OC(=O)c2ccccc2F)c1)c1ccccc1O 408955197 OGBIDECYVDIVIN-YDZHTSKRSA-N 378.359 3.514 50 40 GHGB Cc1c(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc2n1Cc1ccc(Cl)cc1 409232625 ANLLROHLMHHMAE-GDNBJRDFSA-N 392.846 3.753 50 40 GHGB O=C(CCl)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 5107117 NLAXRURSGKELRW-UHFFFAOYSA-N 386.791 3.634 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)COc1c(C)cccc1C 1437703 DDGHTCVXJFQREH-KEBDBYFISA-N 391.265 3.604 50 40 GHGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N32)cc1 12275304 MUADNTGFQBFBJP-PGRDOPGGSA-N 392.480 3.647 50 40 GHGB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NN=C1c2ccccc2-c2ccccc21 19851148 IGWUFPLSZWGLEQ-CQSZACIVSA-N 387.395 3.911 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 5146002 JXVICQJYTALBSW-GOSISDBHSA-N 388.427 3.702 50 40 GHGB CS(=O)(=O)Cc1cccc(C(=O)NN(c2ccccc2)c2ccccc2)c1 7780963 KHXJPRHJCBVIJS-UHFFFAOYSA-N 380.469 3.714 50 40 GHGB CNC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C)cc2)sc2c1CCCC2 16741424 LUBJSZVMMALUBU-PTNGSMBKSA-N 379.485 3.841 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 409003275 ZCSVADLPIOCFFK-UCQKPKSFSA-N 375.428 3.645 50 40 GHGB CCOC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409008136 ULEZWJUKHHPFTO-WQRHYEAKSA-N 378.428 3.791 50 40 GHGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl 409239497 NGAKSQLCOCEUSK-JJFYIABZSA-N 379.218 3.837 50 40 GHGB COc1ccc(/C=C/C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 8027014 HGWXQJVGDKUDAU-SDNWHVSQSA-N 389.455 3.577 50 40 GHGB CCOc1ccc(/C(C)=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 104153388 QTCBWOLGZXEBQQ-BUVRLJJBSA-N 387.439 3.739 50 40 GHGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)c1 409372354 MSVFOGIICWRJSJ-XMHGGMMESA-N 389.455 3.542 50 40 GHGB C=CCc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1O 2317546 FTCWAHLFTQCJDH-RGVLZGJSSA-N 383.498 3.973 50 40 GHGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cn1)[C@H](Br)C2=O 100868210 PYSQDEUUQGAKHV-HFBAOOFYSA-N 385.689 3.832 50 40 GHGB O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1I 1084892 CYUPEKPXQYCIMK-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 1786106 OQEFWVDFFRJIAI-RVDMUPIBSA-N 396.830 3.777 50 40 GHGB CCSc1nc(NNC(=O)C2CC2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2242537 OHIQXYZZEBIDSQ-SFHVURJKSA-N 392.550 3.898 50 40 GHGB Cc1cc2c(c(=O)o1)[C@@H](c1ccc(SC(F)(F)F)cc1)C(C#N)=C(N)O2 4454761 QXXLZSXBDDLGHF-ZDUSSCGKSA-N 380.347 3.778 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 6181753 ULSPIGWCURLQGX-LFVJCYFKSA-N 387.439 3.640 50 40 GHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 6814990 QHXVQTMWXYNECA-LPYMAVHISA-N 392.415 3.531 50 40 GHGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1 9087936 CMPVMXZNSWOGHJ-AWEZNQCLSA-N 381.457 3.553 50 40 GHGB COC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 13596354 APEJNGILAGMXDN-FBKQIBBUSA-N 378.453 3.594 50 40 GHGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)C(=O)N/N=C2/C[C@H](C(=C)C)CC=C2C)C1 103384990 MZDCPWMJFQQZLS-BIUIVCHBSA-N 382.508 3.796 50 40 GHGB CC1(C)[C@H]2CC[C@](I)(C2)[C@@H]1I 104132335 OQVFUAQDBDHWBC-OOZYFLPDSA-N 376.019 3.804 50 40 GHGB CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1OCC(=O)O 409200841 JMLHBZWFEJZKCB-BOPFTXTBSA-N 394.427 3.711 50 40 GHGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)/C=C/c1ccccc1Cl 6826063 ABIZKTYKZUVQFC-RMKNXTFCSA-N 379.243 3.541 50 40 GHGB Cc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1 12275794 UWSXGFSBCXFLDZ-UTKZUKDTSA-N 380.444 3.777 50 40 GHGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 83311863 REBRDISTECAWFE-NVMNQCDNSA-N 388.177 3.867 50 40 GHGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cccc2c1OCCO2 862419 ZRCALNHPNKHJJG-UDWIEESQSA-N 376.865 3.744 50 40 GHGB COc1cccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)c1O 871104 QGSNCXXMMQNFRM-SSDVNMTOSA-N 395.484 3.808 50 40 GHGB CCO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C\c1ccccc1Br 5316571 DBJYWEVDTLBXME-FFEYAKNXSA-N 387.277 3.851 50 40 GHGB CC/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 14920746 LBANEQJENTUAIA-HPNDGRJYSA-N 399.494 3.865 50 40 GHGB CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 6651035 FOXKTKVNYVUREF-PTZPRWATSA-N 397.450 3.508 50 40 GHGB CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)cc1 1824963 KLAZKOVEXWHYEJ-OEAKJJBVSA-N 391.475 3.694 50 40 GHGB COc1ccc(Br)cc1C(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 408710714 HCQKDAIEEJLHKM-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB Cc1c(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c2ccccc2n1C 408857416 MMILURGXNVUSDC-BBOOOEOJSA-N 380.455 3.694 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C)c3)c2C)c1 408591416 SXFSAZJJSYJVNM-ZVHZXABRSA-N 389.455 3.953 50 40 GHGB Cc1c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1C 408777379 ZITGKIWVXWNKMN-MNDPQUGUSA-N 384.483 3.743 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 6145642 SKLTYVKGMSTXBQ-CIAFOILYSA-N 395.371 3.636 50 40 GHGB CCOC(=O)/C(CC(=O)c1ccc(C)cc1)=N\NC(=O)c1ccc(Cl)cc1 5457142 UHXFZSQZBNOVCN-XLNRJJMWSA-N 386.835 3.570 50 40 GHGB Cc1sc2ncn(CC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)c(=O)c2c1C 31783379 KIMMYIUOSOGCIZ-RMORIDSASA-N 396.516 3.523 50 40 GHGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1c[nH]c2ccccc12 2631412 LDKBDYXYUBGQMB-YSURURNPSA-N 385.349 3.687 50 40 GHGB CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1 30759576 DKIZNWOZVJIVKI-YMLINEMLSA-N 397.519 3.895 50 40 GHGB COC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 4205641 YZTQYKOLXRXVAN-JLHYYAGUSA-N 395.802 3.529 50 40 GHGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCCc1ccccc1 33447232 ORNQOTCQEMQSGW-WJDWOHSUSA-N 385.261 3.724 50 40 GHGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(-c2ccccc2)cc1 5604513 BEJQJTBNFZKKRN-UHFFFAOYSA-N 380.831 3.847 50 40 GHGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)N1CCN(c2ccccc2)CC1 16489016 IQZNVKAEMQSWKM-HTXNQAPBSA-N 390.487 3.526 50 40 GHGB CC(C)(C)NC(=O)[C@H](Br)[C@@H](Br)c1ccc(C#N)cc1 3172962 DMJZOKRFIGZXSJ-NWDGAFQWSA-N 388.103 3.672 50 40 GHGB O=C(OC(CCl)CCl)[C@@H]1CC[C@H](Br)[C@H](Br)C1 100934399 YFZSLAKWTLZICE-BWVDBABLSA-N 396.934 3.703 50 40 GHGB C[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1cc(Br)ccc1O 654837 RNPAFDQMHCIVII-XTTRTJGBSA-N 396.672 3.759 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@H]1c1ccc2c(c1)OCO2 985818 QKOKAXYTWVADCI-INIZCTEOSA-N 392.802 3.677 50 40 GHGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Cc1ccccc1F 6372850 ATJUWBXYUSKPJW-UHFFFAOYSA-N 399.249 3.682 50 40 GHGB CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1 409393726 ZLMQCKVDQXFULV-GDNBJRDFSA-N 377.400 3.578 50 40 GHGB COc1cccc(/C=N/NC(=O)CSc2cc(C)c3ccccc3n2)c1OC 871018 RHKQVMWCEYKOBK-WSDLNYQXSA-N 395.484 3.803 50 40 GHGB COc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 13532921 TXCDZICBWXZKTM-GVIGZQTCSA-N 395.484 3.526 50 40 GHGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1O 6549821 AKSRXWBFNYTUAV-RIYZIHGNSA-N 394.246 3.502 50 40 GHGB C/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccncc1 5785193 VFAMQLNZHDVALD-JJIBRWJFSA-N 375.428 3.580 50 40 GHGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 4923351 BBUVMLPJSPHKJX-MRXNPFEDSA-N 392.440 3.814 50 40 GHGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CCCC2)cc1 408709285 ZABMLLSYBGHLSO-YDZHTSKRSA-N 398.894 3.901 50 40 GHGB CC(=O)Oc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 4474975 XBKKOBCMEAADEG-UDWIEESQSA-N 376.865 3.898 50 40 GHGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(F)c1 30809190 QQIRINDJYBZWIV-JJFYIABZSA-N 380.335 3.685 50 40 GHGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 1437961 WNKKQOUPGJDRQB-YCRPNKLZSA-N 388.423 3.609 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@@H]1c1ccco1 409134764 PQRHSDZZFOIXMN-NSHDSACASA-N 387.848 3.644 50 40 GHGB O=C(NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1 5634757 BWSDYKXKOONUOR-UHFFFAOYSA-N 382.423 3.614 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4)ncnc32)cc1Cl 7443146 LDUQGQHJYQNZTL-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C1CCCC2=O 409124857 DDGUWLRVYBIMIO-QFIPXVFZSA-N 385.467 3.996 50 40 GHGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCC(C)C 409132154 NJCQBBUBMSOUSD-NRFANRHFSA-N 395.503 3.850 50 40 GHGB COc1cc(C(=O)N/N=C\c2ccccc2O)ccc1OCc1ccccc1 6441308 CAOHYLZWFNBEEA-UCQKPKSFSA-N 376.412 3.744 50 40 GHGB O=C1C=C(NNC(=O)c2cccc(Br)c2)C[C@H](c2ccccc2)C1 1091326 WZOLTAFEDLJKQH-HNNXBMFYSA-N 385.261 3.714 50 40 GHGB Cc1cc(C)n([C@H](CCl)CN(Cc2cc(C)on2)Cc2cc(C)on2)n1 69591529 GEGJVVHIUBUSHD-GOSISDBHSA-N 377.876 3.575 50 40 GHGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 1917655 OMTYMEKBCKQHPP-ZLINDNQKSA-N 388.423 3.523 50 40 GHGB COC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C 408993237 VVBYVVHOKKDABV-GDNBJRDFSA-N 384.819 3.746 50 40 GHGB Cc1ccc(CSCC(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1 4502529 ZHNXASXOLTYBHU-UFFVCSGVSA-N 386.542 3.873 50 40 GHGB O=C(CCC1CCCCC1)NNC(=O)CSc1nc2ccccc2s1 6508610 WRTRSFVABVBTNJ-UHFFFAOYSA-N 377.535 3.896 50 40 GHGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1C 408566978 CAIRALFQGQBBMV-RGVLZGJSSA-N 389.546 3.650 50 40 GHGB CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc3nccnc3c2)cc1 95469665 GIJVAMLUBJOIOY-UHFFFAOYSA-N 392.459 3.664 50 40 GHGB Cc1ccc(NC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1C 408848357 UFUZHTVLHGEPLB-UKWGHVSLSA-N 375.812 3.576 50 40 GHGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(O)c(Br)c2)c(F)c1 408964176 BLXFYTBOFWWWBS-IFRROFPPSA-N 396.603 3.583 50 40 GHGB COc1ccccc1OCC(=O)N/N=C\c1cccn1-c1ccc(Cl)cc1 408857726 WEAPDJFWZLPNCX-XKZIYDEJSA-N 383.835 3.668 50 40 GHGB CCCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 46084764 JVHKNMOSVPYPSA-DAFNUICNSA-N 393.487 3.640 50 40 GHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)c1 6022724 YGQNTQZZQZUUHL-YDZHTSKRSA-N 389.411 3.872 50 40 GHGB CCOC(=O)N/N=C/c1cn(CCOc2cccc(OC)c2)c2ccccc12 2308818 JCDUMPIBDWUUQW-HYARGMPZSA-N 381.432 3.809 50 40 GHGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)cc1 6484212 XEENOKFYGACUFD-ZVHZXABRSA-N 391.402 3.851 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1Oc1ccccc1[N+](=O)[O-] 59475418 XNAPCMYXHAVTNV-LPYMAVHISA-N 392.371 3.555 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C\c2cc(C)n(-c3ccccc3)c2C)c1 58884476 AEQXYZRJTGAJLP-UCQKPKSFSA-N 377.444 3.875 50 40 GHGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 59515388 GVRXNJAGNHSKEJ-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OC 408724760 HKOYTJOGCYSHAZ-BHUQIAQOSA-N 395.297 3.743 50 40 GHGB O=C(CCCCC(=O)N/N=C\[C@@H]1C[C@@H]2CC[C@@H]1C2)N/N=C\[C@@H]1C[C@@H]2CC[C@@H]1C2 225691336 BSLBPCGUEKNUFS-FJZPQRCJSA-N 386.540 3.623 50 40 GHGB CCOC(=O)/C(C#N)=C/C(C)=C/C(C)=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16940418 ICKAYMRQKSQOGB-XLRMNUIXSA-N 386.364 3.778 50 40 GHGB COC(=O)c1sc(SC)c2c1CC(C)(C)C/C2=N\OC(=O)CCl 4286270 HNUGJJZQCPKCGC-RQZCQDPDSA-N 375.899 3.715 50 40 GHGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1cccc(Br)c1)Nc1ccccc12 2317249 PGXLWKFGFMXMRQ-KRWDZBQOSA-N 390.244 3.907 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427271 RLMARZWLPMFHHL-HYARGMPZSA-N 376.416 3.695 50 40 GHGB O=C(CCCC(=O)NC1CCCCC1)N/N=C/c1c(O)ccc2ccccc12 3667079 SOQIMOUTSKSHGM-HZHRSRAPSA-N 381.476 3.615 50 40 GHGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(F)cc1 408850561 BZYGPPLLBAFNCV-VXLYETTFSA-N 380.217 3.545 50 40 GHGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccc(F)cc1 34690258 SHCXWYALNBBKML-QINSGFPZSA-N 375.359 3.860 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(O)c1 409392904 UAMKYAWFSHRRHQ-FSJBWODESA-N 381.407 3.711 50 40 GHGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1c[nH]c3ccccc13)CO2 1296495 VUHUEVQPCUFNQB-BLTFUYFMSA-N 377.444 3.756 50 40 GHGB O=C(CCCl)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 5107101 OJCTYAMXTVCDQZ-UHFFFAOYSA-N 386.791 3.981 50 40 GHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)c2C)c1 5740580 XJARJWDUNAQIOS-YGPNGPECSA-N 389.455 3.693 50 40 GHGB O=C(CCc1ccccc1)NN[C@H]1c2ccccc2C(=O)N1CCc1ccccc1 20123594 CNQNEBWPDZFBAI-XMMPIXPASA-N 399.494 3.637 50 40 GHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OC)c(OC)c1OC 6230253 AKQQROBQGZNWEX-YDZHTSKRSA-N 394.427 3.638 50 40 GHGB CCCCSCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 23114263 XPWVTZGQQAIUDC-UHFFFAOYSA-N 393.336 3.833 50 40 GHGB O=C1c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1Br 44830115 MUXSURUHFTXUED-AWEZNQCLSA-N 389.205 3.592 50 40 GHGB CCCCCOc1ccc(/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1OC 102625947 CEZUALSQHPPXEW-XMHGGMMESA-N 396.491 3.574 50 40 GHGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)sc(C)c1C 2669854 GCSOOGDUXQBQCI-MDWZMJQESA-N 385.401 3.605 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 105059697 KAWIKTRZCRJTDX-HYARGMPZSA-N 375.384 3.938 50 40 GHGB O=C(CCCCC(=O)N/N=C\[C@@H]1C[C@@H]2CC[C@H]1C2)N/N=C\[C@H]1C[C@H]2CC[C@H]1C2 104021918 BSLBPCGUEKNUFS-FGXFMDQVSA-N 386.540 3.623 50 40 GHGB COc1cccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1OC 20248362 RXKNVONLEOFWFG-UDWIEESQSA-N 378.881 3.990 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC 2101742 XMZBVKGWMAYLCY-FYJGNVAPSA-N 383.404 3.631 50 40 GHGB N#CC(C(=O)COC(=O)c1cc2c(s1)CCCC2)=C1Nc2ccccc2N1 3413464 XTNOLDJPXYAAFI-UHFFFAOYSA-N 379.441 3.626 50 40 GHGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)n[nH]1 5267639 PRKWECYYKMABTI-UHFFFAOYSA-N 396.450 3.670 50 40 GHGB O=C(N/N=C\c1ccc(O)cc1O)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408728927 WJECDNVBXRVPAZ-MYKKPKGFSA-N 391.402 3.521 50 40 GHGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)NC(C)C)cc1Br 408780672 HOKQRCPHCVGFLO-QPEQYQDCSA-N 381.270 3.678 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1C 409189712 NIOICJQGLXELDJ-AQTBWJFISA-N 391.471 3.847 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3N)o2)cc1Cl 409001416 PRDKGIVVRSYNIC-FOKLQQMPSA-N 397.818 3.733 50 40 GHGB O=C(N/N=C/c1c(Cl)cccc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 2220464 CBEALGKTGAPIDE-MKTFZPETSA-N 394.233 3.636 50 40 GHGB CCOC(=O)/C(C#N)=C1\C=C(C)CC(C)(C)[C@@H]1/C(SC)=C(\C#N)C(=O)OC 16681982 XPCYEMMPSAXSPB-CVDFYEBOSA-N 388.489 3.676 50 40 GHGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6571394 AYTVJKGBYAQCAS-ATVHPVEESA-N 395.459 3.945 50 40 GHGB C[C@@]12CC[C@H](C(Br)(Br)C1=O)[C@@]2(C)CBr 100015371 UQWCFNOCILWLGO-NBEYISGCSA-N 388.925 3.873 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c(OCC)c1 59417052 NDCGEGKKMRJJKD-CIAFOILYSA-N 398.488 3.603 50 40 GHGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408741190 OIODGXJSHRGAKU-BUVRLJJBSA-N 390.487 3.933 50 40 GHGB Cc1cc(C)n(CC(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)n1 6408311 AQFTXGBVSQXPGN-ZVHZXABRSA-N 385.471 3.809 50 40 GHGB CCOc1cc([C@@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)ccc1O 4784902 GURRMIFHBWRYQQ-LJQANCHMSA-N 388.452 3.929 50 40 GHGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1OCC 409383074 REHXPOVSSBBHIL-YVLHZVERSA-N 397.862 3.846 50 40 GHGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 1462499 NTWAHMJQHAKQOP-FNGUVFISSA-N 385.467 3.892 50 40 GHGB Cc1c(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 4833601 DQRGPBMDJGHGPJ-VBKFSLOCSA-N 392.846 3.684 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4cccc(Cl)c4)ncnc32)cc1 4355171 QLTIMYLNORVUIN-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB CCOC(=O)/C(C#N)=C(/SC)[C@@H]1CCCCCC/C1=C(/C#N)C(=O)OC 100993073 WBVOVNSHVSPDSC-OAFIHAAUSA-N 376.478 3.654 50 40 GHGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCCCC2)cc1 408961986 WOTLAKIWSDNEGE-KGENOOAVSA-N 398.488 3.828 50 40 GHGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(SC)cc2)C2=C1CC(C)(C)CC2=O 409140222 GOVXIOQUXVPKFW-LJQANCHMSA-N 397.544 3.791 50 40 GHGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccs1 4513493 LKNCNTIPEMLNNJ-UDWIEESQSA-N 381.413 3.999 50 40 GHGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc[nH]1 7854762 IZZBLAGARHQZRL-BUVRLJJBSA-N 379.489 3.868 50 40 GHGB Cc1occc1C(=O)NNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 40128907 KGUQZMQOMUDAEH-UHFFFAOYSA-N 397.479 3.594 50 40 GHGB Cc1cccc(C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)c1C 2663279 ALCGHZYFEJFINZ-UHFFFAOYSA-N 388.467 3.734 50 40 GHGB O=C(N/N=C1/C(=O)N(CCCOc2ccccc2)c2ccccc21)c1ccccc1 100756090 UDWWAIBUGOWUIS-YYDJUVGSSA-N 399.450 3.636 50 40 GHGB O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1cccs1 6536136 ZVPTYQXPYSKRLO-UHFFFAOYSA-N 395.918 3.566 50 40 GHGB COc1cc(NC(=O)C/C(C)=N/NC(=O)c2cccs2)c(OC)cc1Cl 100522713 RPKUBJBNLGPQPD-KEBDBYFISA-N 395.868 3.553 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)cc1 1213812 ICEYTEKUEKJMFZ-DNTJNYDQSA-N 396.672 3.679 50 40 GHGB COc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 13000829 FJEHEIIPUCZXTK-UHFFFAOYSA-N 386.286 3.651 50 40 GHGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 6312146 DUIBQIDFFIFIQS-DQXFGKTHSA-N 391.431 3.650 50 40 GHGB Cc1c(C(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)oc2ccccc12 7380391 HTCABPJDGCIGMI-UHFFFAOYSA-N 399.255 3.671 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)c1 9014960 YWBBZVUKPOZOEQ-INIZCTEOSA-N 395.459 3.845 50 40 GHGB CC(C)Oc1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1 9885256 VWKDASKNWZGTFG-UHFFFAOYSA-N 378.881 3.681 50 40 GHGB CC1=C[C@@]2(Nc3cc(C(C)(C)C)cc(Br)c3O2)C(C#N)=C(N)O1 40546384 ZGMVQPCRNVYWRY-KRWDZBQOSA-N 376.254 3.875 50 40 GHGB O=C1CN(C(=O)CCl)[C@H](c2ccccc2)c2cc(Br)ccc2N1 256028170 XKIGQQMGIADSDH-QGZVFWFLSA-N 393.668 3.558 50 40 GHGB O=C(NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1 5578416 KANMADSIPKAJQX-UHFFFAOYSA-N 380.831 3.994 50 40 GHGB O=C(CS[C@H]1CCc2ccccc21)NNC(=O)Nc1ccc(Cl)cc1 5664988 HBYUQFHEQAPRHA-INIZCTEOSA-N 375.881 3.913 50 40 GHGB C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cccnc1 1425094 IMIBGKGNKLFWFO-HIQXPHMNSA-N 375.428 3.578 50 40 GHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 5496318 AOKODNHPBMVZSA-WSDLNYQXSA-N 388.851 3.824 50 40 GHGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2)cc1OC 979597 AQRZWWCZJLPAPZ-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](OC)c1ccccc1 3174599 YEAPRDHFLBYGLM-XNHPLOEXSA-N 391.265 3.686 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 5547486 JYIWUZBSCNTKFJ-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1C 5658696 DXXWFQMZVJYEGJ-CIAFOILYSA-N 384.277 3.942 50 40 GHGB Cc1c(/C=N/NC(=O)[C@@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cnn1C 6527515 SLNYJURAGXPHLL-YCYFYPMKSA-N 392.507 3.665 50 40 GHGB C/C(Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCCC2)=C(/C#N)C(N)=O 6879283 ZOMKXNJETTUNRI-DTQAZKPQSA-N 379.485 3.861 50 40 GHGB CSc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 32117052 SFWUASCMTPHFEJ-KQWNVCNZSA-N 376.481 3.795 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1OCC 59516016 NBQQCTOZGHSFSG-OEAKJJBVSA-N 397.475 3.580 50 40 GHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 408915341 ZRJTYTCDVFQDGC-HSJQUHBMSA-N 395.503 3.792 50 40 GHGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3)c2)cc1 58823052 YZPYRBVYORWQIU-PXLXIMEGSA-N 394.452 3.527 50 40 GHGB N#CSc1ccc(C(=O)c2ccc(SC#N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 103742064 TZRGUKPQELGQPO-UHFFFAOYSA-N 386.370 3.880 50 40 GHGB O=C(NNc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 36226649 YLDNXLBDAITDHZ-HNNXBMFYSA-N 379.847 3.989 50 40 GHGB O=C(NNC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccccc1 40128301 DJVPKRPSLSEZIT-UHFFFAOYSA-N 381.432 3.588 50 40 GHGB C[C@H](Br)[C@@H](Br)[C@H](Br)CBr 95721471 NALIDLUWYFOKFM-VPENINKCSA-N 387.735 3.692 50 40 GHGB O=S(=O)(c1cc(Br)c2oc(CCl)nc2c1)C(F)(F)F 604221645 NEFXHCDCGFTEHR-UHFFFAOYSA-N 378.553 3.623 50 40 GHGB CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc1 2296029 VNTUTDUUTGOSQU-XQNSMLJCSA-N 381.476 3.848 50 40 GHGB O=C(N/N=C/c1cccs1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 58900767 KPWHBNYREPBONE-UDWIEESQSA-N 394.412 3.673 50 40 GHGB CCC[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2674590 ZHNCYHBRWWOPTQ-XNHPLOEXSA-N 375.812 3.946 50 40 GHGB Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 662779 YAWNTEWNNPWEMF-KRWDZBQOSA-N 381.432 3.971 50 40 GHGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 107598208 BMWGVWDWCOMUIT-BOPFTXTBSA-N 391.427 3.539 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)cc1 20764411 ZYXFEYVPBKFKNP-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB N#Cc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408568294 IUSLMLPQRINDCC-CIAFOILYSA-N 383.498 3.566 50 40 GHGB CC(C)Oc1ccc(C(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1 40142939 DUQHBMRPSRIBCS-UHFFFAOYSA-N 386.496 3.624 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)c1 1092197 GJOSEHYEDGNOEJ-QKIXXSFTSA-N 377.444 3.808 50 40 GHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(Cl)cc1 5391055 XHUGYEKCZMVWSM-ZMOGYAJESA-N 389.842 3.958 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 5740206 FWTOHWSUHRAZAO-UFFVCSGVSA-N 384.779 3.976 50 40 GHGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(Oc2ccccc2)c1 16073534 DIBKPZJJPMAWQW-UHFFFAOYSA-N 385.423 3.964 50 40 GHGB CNC(=O)/C(C#N)=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12 409062892 CLDDBOHQIWCEFX-XYOKQWHBSA-N 382.782 3.868 50 40 GHGB COc1ccc(-c2c3c(cc4cc(OC)c(OC)cc24)C(=O)OC3=O)cc1OC 38140855 ZMLLPZKAUSYACL-UHFFFAOYSA-N 394.379 3.852 50 40 GHGB C[C@]1(C(=O)[C@@H](Br)[C@@H](Br)c2ccc(Cl)cc2)CO1 229592325 UGKLSWVMIVMWFN-JBLDHEPKSA-N 382.479 3.898 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 5720400 NWTPJTQTUCODEW-FYJGNVAPSA-N 379.441 3.773 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1 5513092 OYXCTJKOCPQQRE-AWQFTUOYSA-N 383.231 3.540 50 40 GHGB CCc1ccc(OCc2cccc(C(=O)N/N=C/c3cnn(C)c3C)c2)cc1 685929 IGDHUSMFCQUQRW-YDZHTSKRSA-N 376.460 3.634 50 40 GHGB COc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)c(Br)c1 1444607 MXEDYXVCLAKNJE-DJKKODMXSA-N 397.656 3.640 50 40 GHGB O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(Cl)cc1Cl 4676882 CTDCOEQQJNABHP-UHFFFAOYSA-N 389.238 3.987 50 40 GHGB CCOC(=O)c1ccccc1N/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 9344034 NMIIZVIHHDQTDT-NTCAYCPXSA-N 390.848 3.767 50 40 GHGB CC1=NN(c2ccc(C(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)cc2)CC1 46903888 STUVTBHEYWKPMA-ZDUSSCGKSA-N 396.516 3.534 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1Br 105410470 AFPJHKUEMYEVQI-WDDOTZLKSA-N 378.314 3.792 50 40 GHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1Br 408589363 LMLIVHTWKXWCAM-GIJQJNRQSA-N 396.628 3.704 50 40 GHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(I)cc1 408721670 WUISSSHOZTWDBD-SUBNYSPWSA-N 382.245 3.568 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CCc2ccccc2)c2ccccc21 408958211 XVFPNDNGIKSWJK-BUVRLJJBSA-N 391.471 3.596 50 40 GHGB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1 103918303 BQOSCFKDESUCEM-RGEXLXHISA-N 380.423 3.537 50 40 GHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCc3ccccc31)[C@H](Br)C2=O 4185845 BDPMIAFJICJNFN-ZMYBRWDISA-N 376.294 3.735 50 40 GHGB Cc1nc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)sc1C 9287895 XGFAFRIQQSPSTB-CIISACIHSA-N 385.327 3.857 50 40 GHGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 408949967 CUPNMMBYGBVOJF-OEAKJJBVSA-N 396.878 3.726 50 40 GHGB Cc1ccn2cc(C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)nc2c1 15822118 HZEMPJNMCXKOLF-UHFFFAOYSA-N 394.431 3.585 50 40 GHGB COc1ccc(N2N=C(C)/C(=C/Nc3ccc(SC#N)cc3OC)C2=O)cc1 16160789 BJYWCMXBUOBQIX-BOPFTXTBSA-N 394.456 3.995 50 40 GHGB COc1cc(-c2ccc(NC(=O)CCl)c(OC)c2)ccc1NC(=O)CCl 1056142 SWEQGDSFYRJSIX-UHFFFAOYSA-N 397.258 3.725 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccccc2Cl)o1)[C@H]1COc2ccccc2O1 13598036 QDAPJGDTFDWBOV-VCYKRWNGSA-N 382.803 3.890 50 40 GHGB O=C(Cc1cccc2ccccc12)NNc1ncnc2c1cnn2-c1ccccc1 7393204 JQVOHGKGCUYCBI-UHFFFAOYSA-N 394.438 3.655 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1O 674534 KSQUHBQQIOVWTQ-OEAKJJBVSA-N 395.459 3.684 50 40 GHGB CCn1c(SCC(=O)N/N=C\c2cccs2)nnc1-c1ccc(C)cc1 4679368 ZXHYQGXKMGQBPH-ODLFYWEKSA-N 385.518 3.577 50 40 GHGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NC(N)=O 409238666 LKGGHTZYVCXLRL-JYRVWZFOSA-N 390.226 3.674 50 40 GHGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2)CC(=O)N1 9110564 LLINNVFGSWNVID-CQSZACIVSA-N 378.881 3.755 50 40 GHGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(I)c1 408760624 BXNJRYJHXRDIJP-XYOKQWHBSA-N 392.171 3.976 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2c(C)nn(-c3ccc(C)cc3)c2Cl)cc1 695666 ZQYRUMMDNODICB-YDZHTSKRSA-N 396.878 3.844 50 40 GHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1949980 GHKOJLATUFHKTC-UDWIEESQSA-N 375.812 3.866 50 40 GHGB Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(N)=O)c1 12374284 DXIPXONRVIERMR-FABDANFUSA-N 397.887 3.560 50 40 GHGB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NNC(=O)C4CC4)c23)CO1 2423635 HMBDTULNUFBRJT-QGZVFWFLSA-N 378.523 3.508 50 40 GHGB Cc1cc(C)cc(NC(=S)NNC(=O)c2ccccc2Br)c1 1410842 KWONBCYFHCDLKY-UHFFFAOYSA-N 378.295 3.697 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2CCc3ccccc32)c1C 3374331 LVVYUCYIGCLUNH-DEDYPNTBSA-N 391.471 3.554 50 40 GHGB COc1ccc(Br)cc1[C@@H]1NC(=S)NC(C(C)(C)C)=C1C#N 409370176 MHAPETYTXYFNNB-ZDUSSCGKSA-N 380.311 3.800 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC#N 408805950 CXMCDBPLSDRSSF-HUCUOGIVSA-N 375.428 3.772 50 40 GHGB COc1ccccc1[C@H]1CC(=O)N2C(=C1C#N)SC[C@@]2(O)c1ccc(C)cc1 12275555 RMFKKZWNVMFQOR-VGOFRKELSA-N 392.480 3.647 50 40 GHGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(Br)cc1 408872122 KWSYBZGDUHZNHS-DJKKODMXSA-N 391.290 3.707 50 40 GHGB C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 408969876 WCVFRUUXLYEQNI-SRZZPIQSSA-N 392.242 3.647 50 40 GHGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1 408756756 UHZUNLBLALRLRU-NTEUORMPSA-N 385.217 3.920 50 40 GHGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC 408741293 IDSHLKFXAZPBOO-ATVHPVEESA-N 394.427 3.573 50 40 GHGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 136890254 KSFWPGGULBNILA-MSXFZWOLSA-N 393.418 3.655 50 40 GHGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)cc1 12362686 AHNSMWMIAZXUSN-MPRKLJSHSA-N 381.432 3.852 50 40 GHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCOCC2)cc1 100323066 CCWMSGVIDBPNNF-WQRHYEAKSA-N 383.455 3.532 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)OCCO1 59436860 JFVNXDBXWMWIPT-LPYMAVHISA-N 388.851 3.522 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 408840563 GVBGULLEHYWLGH-FYJGNVAPSA-N 383.404 3.631 50 40 GHGB C#CCn1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21 6312117 QMFNEDSPMGMCLC-SRZZPIQSSA-N 396.244 3.507 50 40 GHGB Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)cc1 653683 RPFNFNVUEHJHDU-KGLIPLIRSA-N 377.872 3.909 50 40 GHGB COCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2(c3ccccc3)CCC2)c1C 24973155 QHAJFLKGGCIPMN-RCCKNPSSSA-N 391.515 3.896 50 40 GHGB N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc2c(c1)OCCO2 17080950 ZBUZVJWDRPFMAF-VMPITWQZSA-N 396.271 3.699 50 40 GHGB Cc1cc(NC(=O)N/N=C\c2ccc3c(c2)OCO3)ccc1Br 408904798 OVEWCLRWGSWSNU-LSCVHKIXSA-N 376.210 3.642 50 40 GHGB COC(=O)c1sccc1NC(=O)/C(C#N)=C/c1c[nH]c2ccc(OC)cc12 49547191 QHFRUTUKNPQDAB-YRNVUSSQSA-N 381.413 3.570 50 40 GHGB COCCOc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c2ccccc12 8106070 CIOXZCHHVACBOZ-NSRYLYFRSA-N 387.439 3.622 50 40 GHGB CC(C(=O)N/N=C/C1=C(Cl)CCCC1)C(=O)N/N=C/C1=C(Cl)CCCC1 5632321 NDHGFEYVQPNYGC-OIEABDAFSA-N 399.322 3.960 50 40 GHGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C 40139725 GYSONRBZQHRRKW-OVCLIPMQSA-N 379.372 3.529 50 40 GHGB N#CC1=C(N)Nc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Br)cc1 1070324 KMBPMDRMEHVHTJ-HNNXBMFYSA-N 394.228 3.807 50 40 GHGB CC1(C)[C@H]2CC[C@@](I)(C2)[C@@H]1I 104132328 OQVFUAQDBDHWBC-LKEWCRSYSA-N 376.019 3.804 50 40 GHGB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3cccc(F)c3)cc1)C(C#N)=C(N)O2 646888 STZCPIRQONOSEW-IBGZPJMESA-N 376.391 3.654 50 40 GHGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1 12250902 PPLIPZOYPDNPCJ-KRWDZBQOSA-N 392.440 3.814 50 40 GHGB Cc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1 12275441 DZLFRQZZCULJPX-GCJKJVERSA-N 376.481 3.947 50 40 GHGB C=CCn1c(-c2ccc(C)cc2)cs/c1=N/NC(=O)c1ccc([N+](=O)[O-])cc1 105005517 IUQVPQVCLXVYGY-LSDHQDQOSA-N 394.456 3.865 50 40 GHGB CCOC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 1898808 DEQQVMBAEFCZRH-UHFFFAOYSA-N 390.439 3.617 50 40 GHGB O=C(NNC(=O)c1cncn1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 10260465 FWTSEUWKZQUTSS-UHFFFAOYSA-N 390.230 3.646 50 40 GHGB C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 4570895 LLGYJUFJTDWOST-QGZVFWFLSA-N 386.835 3.728 50 40 GHGB N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 4711201 JOGKURHEZSEJDT-UKTHLTGXSA-N 379.803 3.925 50 40 GHGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 20916170 YJDSCMNBSXVBHH-NBVRZTHBSA-N 376.412 3.974 50 40 GHGB Cc1cc(OCC(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc(C)c1Cl 216785610 DZQOZFNTAUTRLI-UHFFFAOYSA-N 385.851 3.543 50 40 GHGB CCOc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1 408936745 PTHUVJNLFZQEGS-HMAPJEAMSA-N 392.415 3.730 50 40 GHGB COc1ccc(NC(=O)C(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1 33859400 GGXGWMBEURUROL-HAHDFKILSA-N 389.411 3.576 50 40 GHGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccsc2)CC(=O)N1 875429 WLUHHXQSCIQALC-AWEZNQCLSA-N 383.498 3.767 50 40 GHGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 1102131 BAWNESLESDFKOG-SRZZPIQSSA-N 399.907 3.686 50 40 GHGB CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2327251 ZBWNUQXRRTXLDD-ONZPZFSWSA-N 378.453 3.676 50 40 GHGB C[C@@]12CC[C@@H](C(Br)(Br)C1=O)[C@]2(C)CBr 2568428 UQWCFNOCILWLGO-VDAHYXPESA-N 388.925 3.873 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1ccccc1 6496093 NUTWDYCOLRUXBM-INIZCTEOSA-N 381.432 3.536 50 40 GHGB Cc1ccc2c(c1)/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(O)=N2 21841498 CGGANJZSDRAFEV-UHFFFAOYSA-N 398.637 3.668 50 40 GHGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)cc(Br)c1O 5069642 KIYPSISFEAXFRB-KPKJPENVSA-N 389.253 3.545 50 40 GHGB O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C\c1cccnc1 28632244 RYBYYHNHOJQSBH-RMORIDSASA-N 398.772 3.623 50 40 GHGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccc(F)cc1 4675172 SHCXWYALNBBKML-NTCAYCPXSA-N 375.359 3.860 50 40 GHGB Cn1cc(C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)c2ccccc21 17076917 OSDNADRCQHDNTB-UHFFFAOYSA-N 376.338 3.664 50 40 GHGB COc1ccc(CC(=O)N/N=C(\C)c2cccc(Br)c2)cc1OC 408767078 IOOILKIJDIFGNX-UDWIEESQSA-N 391.265 3.549 50 40 GHGB O=C(Cc1cccs1)N/N=C/c1ccc(OCCOc2ccccc2)cc1 409205655 DQLGZNGLWSPYNY-CJLVFECKSA-N 380.469 3.899 50 40 GHGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)c1ccccc1 409225034 LRKJSZRKTHUPNP-HMAPJEAMSA-N 389.367 3.578 50 40 GHGB Cc1ccc(S(=O)(=O)N/N=C2\C[C@H]3CC[C@@]2(C)[C@]3(C)CBr)cc1 245241626 LNGUCYLTDFRBSZ-RLZQIMPUSA-N 399.354 3.851 50 40 GHGB O=C(N/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1ccncc1 1496837 ZVSJSRKCUJKNJM-QYQHSDTDSA-N 381.395 3.617 50 40 GHGB COc1ccc(OCC(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1 4746489 XUFMLYFFGRNQJV-FYJGNVAPSA-N 382.441 3.969 50 40 GHGB C[C@@H](/C=N/NC(=O)CCCC(=O)N/N=C/[C@H](C)c1ccccc1)c1ccccc1 5919218 CPLHSRCCROIMLY-IQJZJTBYSA-N 392.503 3.968 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1 408599723 ZAFOFNPIZPURLX-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB COc1cc(C)c(/C=N/NC(=O)c2ccccc2Br)cc1OC 33706071 SWGPAMLONDQODG-VXLYETTFSA-N 377.238 3.539 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)n1 30625442 POTDQKSHOWMEEZ-UHFFFAOYSA-N 384.871 3.813 50 40 GHGB O=[N+]([O-])c1ccc(SC[C@@H](Cl)CS(=O)(=O)Cc2ccccc2)cc1 1098999 XPPWRTNCCDJIMF-CQSZACIVSA-N 385.894 3.909 50 40 GHGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OC2CSC2)cc1 1424883 LNTHVFUACHZPIC-UFFVCSGVSA-N 386.542 3.873 50 40 GHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(Br)c2)c1C 12843950 GZLKAEITEDXRBH-KEBDBYFISA-N 375.266 3.903 50 40 GHGB C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 4156456 DJVOCMGQCQHGQK-VLRQGWLQSA-N 389.377 3.831 50 40 GHGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 5591960 BQEWONCFFUWGMW-TVCPTXOSSA-N 376.412 3.817 50 40 GHGB O=C(c1ccc(Br)s1)[C@@H](Br)CBr 307179732 MOKKFZQIKRYFJF-BYPYZUCNSA-N 376.895 3.852 50 40 GHGB N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)NCc1ccco1 408927821 RPQYSUYXSHCJAU-UDWIEESQSA-N 383.407 3.954 50 40 GHGB Cc1ncc(CN(Cc2cnc(C)s2)C[C@H](CCl)n2cccn2)s1 69438046 ZLEYINCDTFDTCZ-AWEZNQCLSA-N 381.958 3.895 50 40 GHGB N#C/C(=C/c1ccc(N2CCCC2)cc1F)C(=O)Nc1cccc(C(=O)O)c1 408542608 KNPPDUCKBVCRBC-YBEGLDIGSA-N 379.391 3.670 50 40 GHGB COc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1 32109260 ZVYIJEZJTUTKEM-GHOUAXAESA-N 391.265 3.684 50 40 GHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 6158802 NRSXFFODLDEOSE-CIAFOILYSA-N 392.371 3.577 50 40 GHGB CCc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1 8578702 CZMDPSYGJSHWDV-FQEVSTJZSA-N 394.434 3.857 50 40 GHGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC)c(OCC)c2)ccc1OC 409317094 NYHIMBFYTVOTBF-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB Cc1ccc2c(CC(=O)NNC(=O)c3ccc(Br)cc3)coc2c1 6053761 QJAAMZUALRMDMA-UHFFFAOYSA-N 387.233 3.507 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 5130154 DMCPWWWORWQULV-QGZVFWFLSA-N 376.391 3.833 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC 20195151 NLRNTYUUCNVABB-YDZHTSKRSA-N 384.863 3.670 50 40 GHGB COc1ccc(C(=O)NNC(=O)c2cccc(Oc3ccccc3)c2)cc1OC 24923378 ZSMKRMAGTNOIJM-UHFFFAOYSA-N 392.411 3.571 50 40 GHGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(C)c(C)c1 409246162 FVPWIAKLBJFCDK-UYRXBGFRSA-N 391.471 3.694 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1[N+](=O)[O-] 408720293 XRTJMQXBNILMRI-DJKKODMXSA-N 393.852 3.640 50 40 GHGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(SC)cc3)[C@H]2C1 33351102 DYNZTBKFWZKPBU-PMACEKPBSA-N 389.528 3.544 50 40 GHGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 1022611 XSLIRGQBARCKKA-FQEVSTJZSA-N 386.411 3.900 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1O 108050460 ZZXJZNGMQSVCAT-VXLYETTFSA-N 385.401 3.678 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 59436917 KXUPJXDJLCPOIR-RGVLZGJSSA-N 389.795 3.586 50 40 GHGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 2312242 DEYJJVODHUNPKT-INIZCTEOSA-N 395.459 3.845 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)c1 408746840 WMTQWUJIQUBDDB-DHDCSXOGSA-N 382.416 3.657 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)O)c(C)c1 409043379 QMHVFHQNLNYZDF-OVCLIPMQSA-N 384.819 3.966 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)n2nc(C)cc2C)c2ccccc21 408817305 NBKBUXBKUWDUBJ-GZTJUZNOSA-N 390.443 3.574 50 40 GHGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2ccc(Cl)c(Cl)c2)c1 408871572 ZAMKKIGSXJTWCL-NTUHNPAUSA-N 377.227 3.973 50 40 GHGB CCn1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1C 409068325 QZAFNRYNWFOPBY-VXLYETTFSA-N 378.270 3.660 50 40 GHGB COc1cc(/C=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)ccc1O 32559977 RWDODPKSDDBAHH-IWIPYMOSSA-N 391.471 3.775 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(SCCO)c([N+](=O)[O-])c2)cc1C 32124570 HNLKKZUUSNATQU-YBEGLDIGSA-N 397.456 3.842 50 40 GHGB COc1cccc(-n2c(C)cc(C(=O)NNC(=O)c3ccccc3Cl)c2C)c1 40069509 MRPOMYYYYNJBKX-UHFFFAOYSA-N 397.862 3.831 50 40 GHGB C#CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cl 4454772 DSIKQILZCCWOKL-SFHVURJKSA-N 382.847 3.803 50 40 GHGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2C(F)(F)F)c1C 7653042 WWKVZRAVKQTMTI-CYBMUJFWSA-N 380.366 3.551 50 40 GHGB COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409124874 DEQRYFWTKMPHRQ-HNNXBMFYSA-N 378.259 3.732 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3)o2)cc1 8228907 RJAIQHMHMCZRRM-OEAKJJBVSA-N 392.411 3.896 50 40 GHGB CCN(CC)c1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 6472798 UIMNFHLXYKENPX-UHFFFAOYSA-N 390.443 3.531 50 40 GHGB Cc1nc(CC(=O)N/N=C2/CCCOc3c2ccc(Cl)c3Cl)cs1 84272064 FWGQPGIJHDZETM-MOSHPQCFSA-N 384.288 3.994 50 40 GHGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 408766482 RIODTJAHGLYQAE-DJKKODMXSA-N 395.640 3.792 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1cccc([N+](=O)[O-])c1 409198764 KQUXAIWAESRHLF-UDWIEESQSA-N 382.445 3.757 50 40 GHGB CCOC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C 67664925 GVLZDNWNOBSNEN-UHFFFAOYSA-N 386.323 3.743 50 40 GHGB in-vitro COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Cl)cc1 1434435 ZYEICBCTSQGJCU-DJKKODMXSA-N 397.656 3.640 50 40 GHGB Cc1ccc(C(=O)NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 842931 DCYRHRZUJCYKKQ-UHFFFAOYSA-N 394.523 3.523 50 40 GHGB Cc1ccc(-c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)o2)cc1[N+](=O)[O-] 2271695 ATKGEIDCGDEFNI-LJQANCHMSA-N 391.383 3.978 50 40 GHGB CCCCC(=O)NNC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCCC2 2351706 UMVOTMGYJOEISR-UHFFFAOYSA-N 379.526 3.563 50 40 GHGB Cn1nccc1/C=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 2729753 BKWSYWOORMQRJT-BUVRLJJBSA-N 384.439 3.916 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 4739462 ZSEKFTIAJXGCOL-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1 6323781 OISNUQWNGPMOAP-KRWDZBQOSA-N 385.533 3.716 50 40 GHGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)Nc1ccccc1Cl 17079170 UEIICPRMZOGTDK-UHFFFAOYSA-N 387.745 3.591 50 40 GHGB O=C(N/N=C/c1ccc(Br)s1)c1ccc(N2CCCC2)cc1 408676573 KRHGNOMPKLMKAG-WOJGMQOQSA-N 378.295 3.875 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(C)=O 408757308 YIWFDHUOJKMWRC-OEAKJJBVSA-N 376.412 3.928 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(OC)c1 4863678 ZEXTXQNIMYNXRS-WYMPLXKRSA-N 395.381 3.675 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)c1ccccc1Br 777922 XFZUNNXLKUIYOA-RQZCQDPDSA-N 382.055 3.976 50 40 GHGB O=C(N/N=C/c1ccc[nH]1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 12599567 LUQMQXFDLFYOSL-WSDLNYQXSA-N 375.457 3.947 50 40 GHGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 408738404 WZKKNLXYRQCDRO-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB CCCCCOc1ccc(/C=N/NC(=O)c2nn(C)cc2Br)cc1 2098481 GOASHVSLXPGYPB-YBFXNURJSA-N 393.285 3.516 50 40 GHGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1C 2134308 BYLDOLZWHWKPNL-UHFFFAOYSA-N 388.855 3.528 50 40 GHGB C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccccc1C 17079211 FYZWZQQWHFWFGH-VZWMTCDZSA-N 388.103 3.731 50 40 GHGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)c2ccccc21 408776590 WNOHTTSEJJCLMS-BOPFTXTBSA-N 387.439 3.977 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1OC 38589954 UYSZYHHELLEXMD-BKUYFWCQSA-N 376.840 3.585 50 40 GHGB O=C(NNc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 55185990 WKBPXPFMIYBMPI-LBPRGKRZSA-N 384.288 3.803 50 40 GHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc2c(cc1[N+](=O)[O-])COC2 16249530 BLKGXMTYJQCDIN-SYZQJQIISA-N 385.383 3.634 50 40 GHGB COc1cc(C)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 8300781 CIWHEXOBLRRRQM-WQRHYEAKSA-N 389.455 3.759 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccccc1 59333727 KXKOVGIKCXRJAA-MOSHPQCFSA-N 376.456 3.998 50 40 GHGB CC[C@H](Br)C(=O)Nc1nc2ccc(O[C@H](C)COC)cc2s1 20132464 RYDIZHZDGIREOX-KOLCDFICSA-N 387.299 3.822 50 40 GHGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)[C@H](Br)C2=O 100868213 PYSQDEUUQGAKHV-RLCCDNCMSA-N 385.689 3.832 50 40 GHGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 4082837 QFKXRUCPIJZQKT-QGZVFWFLSA-N 375.457 3.624 50 40 GHGB O=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)NC1CCCCC1 6757415 LMPNDVZBGLAFFJ-UHFFFAOYSA-N 389.459 3.574 50 40 GHGB CCc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1 409138462 CCEDJHAMYNZMAT-FQEVSTJZSA-N 379.504 3.632 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c(C)c1 408998497 UVDREONGHYTAED-WSDLNYQXSA-N 379.416 3.546 50 40 GHGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1O 409258020 SRNZDATYNYKTGT-LPYMAVHISA-N 399.447 3.689 50 40 GHGB CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409009603 GTIUAPXUKVUVMJ-UFWORHAWSA-N 382.203 3.951 50 40 GHGB C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1cc2ccc(O)cc2oc1=O 4762515 VLEVURHRKDBVLQ-FMCGGJTJSA-N 388.379 3.511 50 40 GHGB biogenic Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 59435304 TYMAOUZLDQOPEU-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cc3c(s2)CCCCC3)s1 21970950 GQSWKJJULVFOJS-UHFFFAOYSA-N 390.530 3.811 50 40 GHGB N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1c2cccc3cccc(c23)S1(=O)=O 4498735 VNTUDXJHUJFSEQ-WJDWOHSUSA-N 377.381 3.821 50 40 GHGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2ncccc12 6508155 BVINWNGYOYMPPB-SDXDJHTJSA-N 384.439 3.617 50 40 GHGB COc1ccccc1/C=N/NC(=O)CCCC(=O)Nc1cccc(Cl)c1C 409265849 WGQQKLJBSVZMQK-LPYMAVHISA-N 387.867 3.916 50 40 GHGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccco1 408817890 YQNOCBIZPDMTDM-NTEUORMPSA-N 387.233 3.830 50 40 GHGB COCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(F)c2)c2ccccc12 408804510 APQYEFMRWXNMFQ-QGOAFFKASA-N 391.446 3.807 50 40 GHGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Cl)ccc3Cl)[C@H]2C1 658638 QVQWIHDOTPIENF-WMZOPIPTSA-N 398.297 3.739 50 40 GHGB Cc1cc(OCC(=O)N/N=C/c2cc(Br)ccc2O)ccc1Cl 5540405 CSXDGLAFBJUTGY-UFWORHAWSA-N 397.656 3.646 50 40 GHGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)NC1CCCCC1 408829138 OIACTEOXKPBHBW-WUXMJOGZSA-N 397.258 3.813 50 40 GHGB Cc1ccc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 408860941 IYMVIFMHPSWLNV-DJKKODMXSA-N 377.853 3.940 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl 37390782 VQOJROUEXMWARY-NVMNQCDNSA-N 396.628 3.704 50 40 GHGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccccc1 16478268 NWGBPCLASWEUOS-TXPKVOOTSA-N 384.361 3.875 50 40 GHGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1F 6335957 TWHRFKZZWIVIRS-ZMOGYAJESA-N 379.366 3.981 50 40 GHGB NNC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 226333704 LFMSDYHRNCGKII-SOFGYWHQSA-N 381.657 3.685 50 40 GHGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1c(F)cccc1Cl 3085947 MACYCKWRYUVEOZ-SSDVNMTOSA-N 375.831 3.693 50 40 GHGB CCOc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cc(Cl)ccc2O)cc1 4904244 SZCLEICQAFZCCQ-WSDLNYQXSA-N 389.839 3.579 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 2746155 IWIXVSFDBWCOFS-LPYMAVHISA-N 382.851 3.536 50 40 GHGB COc1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(OC)c(Cl)c2)cc1 102673293 PWWGOZUHRWICKL-PTNGSMBKSA-N 378.837 3.608 50 40 GHGB Cn1cc(/C=N/NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c2ccccc21 57476879 WZZXLEJBCXTIKX-NWBNNPRYSA-N 385.423 3.622 50 40 GHGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OC 409065138 HSICSZDYJMKZLR-SFQUDFHCSA-N 378.428 3.987 50 40 GHGB COc1cc([N+](=O)[O-])cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1O 408984498 RMVZIWRHEQWGTD-WUXMJOGZSA-N 387.779 3.817 50 40 GHGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409229718 UCURAXBYUWMVMF-YSMPRRRNSA-N 387.414 3.969 50 40 GHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 223174864 UWBICIRRTQFFSE-JYRVWZFOSA-N 385.763 3.580 50 40 GHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)c(O)c(C)c1 107954670 RGEPPSKDWQWDMD-DJKKODMXSA-N 377.238 3.544 50 40 GHGB Cc1c(/N=C/c2ccc(N(C)CCCl)cc2)c(=O)n(-c2ccccc2)n1C 100165934 JPQIOBKDLGCWLM-HZHRSRAPSA-N 382.895 3.910 50 40 GHGB O=C(CCCCC(=O)N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2)N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2 107907961 BSLBPCGUEKNUFS-PRVGULNZSA-N 386.540 3.623 50 40 GHGB N#C/C(=C\N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc(F)cc1 7572374 DIYKTVWUOUJNQH-CCEZHUSRSA-N 384.842 3.647 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 33656369 XSDPRAFKBZJDKI-WJDWOHSUSA-N 395.434 3.989 50 40 GHGB O=C(CCCC[C@H]1CCSS1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524731952 QJOJATIXXCMAHK-QZWWFDLISA-N 382.595 3.560 50 40 GHGB biogenic N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 35173955 WERMNBNIOQYHQN-XFFZJAGNSA-N 388.177 3.609 50 40 GHGB Cc1cc(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)nc2ccccc12 871014 YGRQWGGLOJHOFB-LPYMAVHISA-N 378.501 3.852 50 40 GHGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(-c2ccccc2)cc1 2132124 OGRCNFHSSPAPCR-UHFFFAOYSA-N 387.439 3.534 50 40 GHGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 408742530 AQIDBOHCDKMHTL-LGMDPLHJSA-N 394.427 3.573 50 40 GHGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(-c3cccc(F)c3)o2)c1 409015085 AIUAFWMSSVEFGH-QRVIBDJDSA-N 381.407 3.681 50 40 GHGB C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 4570896 LLGYJUFJTDWOST-KRWDZBQOSA-N 386.835 3.728 50 40 GHGB Cc1ccc([C@@]2(C(F)(F)F)N=C(O)N3N=C4CCCCCN4C3=C2C#N)cc1 4932591 GJDSWZLCOXLACV-GOSISDBHSA-N 389.381 3.921 50 40 GHGB Cc1ccnc(Sc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)n1 409276228 YZXKXLSYAVFZMA-LFIBNONCSA-N 376.441 3.753 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 752468 WOGBCQGCWMTUEA-MGPUTAFESA-N 387.395 3.803 50 40 GHGB Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2Cl)S/C1=C(\C#N)C(N)=O 13646938 HSEXCZWMAYAGHB-TYSUYXETSA-N 397.887 3.560 50 40 GHGB CC(=O)OCc1c(C)cc(C)c([C@H]2C(C#N)=C(N)Oc3ccc(O)cc32)c1C 1106671 FQHBAJZQHDGLBO-OAQYLSRUSA-N 378.428 3.599 50 40 GHGB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cn3)CC[C@@]1(C)C(=O)[C@H]2Br 2172570 PYSQDEUUQGAKHV-XFBWCDHKSA-N 385.689 3.832 50 40 GHGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1cccc(C(F)(F)F)c1 100922354 YRMJMIRILZIUCY-WYMPLXKRSA-N 393.365 3.849 50 40 GHGB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NNc2ccccc2)cc1 6270185 RSUNYOAQBDYBMA-UHFFFAOYSA-N 381.457 3.553 50 40 GHGB CN(C)N1C(N)=C(C#N)[C@@H](c2ccsc2)C2=C1C[C@H](c1ccccc1)CC2=O 691050 GVIBZHDXBZPZJY-OXJNMPFZSA-N 390.512 3.719 50 40 GHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1C 28217050 RFNQVWXPJMNUFI-XOBIUNJKSA-N 389.455 3.693 50 40 GHGB N#C/C(=C\Nc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 1913417 HYOZCGIYUIDBEK-SAPNQHFASA-N 397.862 3.597 50 40 GHGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c(C)c1 4508632 MUQCIKWYOQRDOI-UHFFFAOYSA-N 388.855 3.528 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 9436288 MTEMNEYTUAGYAO-QGZVFWFLSA-N 376.391 3.833 50 40 GHGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)N3CCOCC3)cc21 208247086 JBERGFHRDKBGKL-SLVCOGOPSA-N 387.911 3.828 50 40 GHGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NCc1cccs1 4976904 DBKHRBBFNJXITF-XNTDXEJSSA-N 378.409 3.930 50 40 GHGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 58536751 AIWYIYDNPQUOJZ-JYRVWZFOSA-N 393.281 3.822 50 40 GHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1 658862 QTFBKFIWIYWJAA-IBGZPJMESA-N 378.382 3.986 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)CNc2cccc3ccccc23)cc1[N+](=O)[O-] 4663666 IZWCAECLVAHMQO-OEAKJJBVSA-N 392.415 3.709 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC 408864451 VYJNHTKEUZEYDZ-FYJGNVAPSA-N 383.404 3.631 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccccc1C(F)(F)F 18142446 YMBGFWITMIJRFA-HNNXBMFYSA-N 383.329 3.765 50 40 GHGB Cc1occc1C(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Br)c1 584907181 BCQBVIXRXVJNNC-SDQBBNPISA-N 390.189 3.604 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(I)o2)cc1 852540 GIVOXPANUUVYJZ-DHZHZOJOSA-N 378.169 3.738 50 40 GHGB CC/C(=N\NC(=O)COc1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1O 24037361 RXFNEOUWRDCBJC-CJLVFECKSA-N 392.242 3.880 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)O 408985009 KFRFWTUPQIQPNS-LICLKQGHSA-N 394.427 3.711 50 40 GHGB CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 4984765 TXZPTBFCSMTLCA-OQLLNIDSSA-N 381.388 3.881 50 40 GHGB N#C/C(=C/c1ccccc1I)C(=O)NC1CCCCC1 33361057 DDGHYYSGZOPSBI-RAXLEYEMSA-N 380.229 3.647 50 40 GHGB Cc1ccc(S(=O)(=O)/C(C#N)=C\NC(=S)Nc2ccc(C)cc2C)cc1 17223374 PVFCDZPAUIYXNZ-ATVHPVEESA-N 385.514 3.737 50 40 GHGB CN1C(=O)/C(=C/c2ccc(C(=O)OC(CCl)CCl)cc2)SC1=S 5374676 BILOGKGIHNSOJT-SDQBBNPISA-N 390.313 3.521 50 40 GHGB O=C(NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)Nc1ccccc1 674507 MIDQMZPGLKZTRS-UHFFFAOYSA-N 380.448 3.672 50 40 GHGB C[C@]12CC[C@@H](C(Br)(Br)C1=O)[C@@]2(C)CBr 100015373 UQWCFNOCILWLGO-BWVDBABLSA-N 388.925 3.873 50 40 GHGB C[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(N4CCOCC4)s3)cc2C1 3380872 UPSYTSJKLVUUSY-DZUMZMOTSA-N 389.546 3.535 50 40 GHGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(N2CCOCC2)cc1 5897768 VJQXLRMZADHGND-IXSYQRGLSA-N 397.544 3.864 50 40 GHGB CN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccccc2)C2=C1CCCC2=O 409122967 CTPFCTQOPWVLMW-QFIPXVFZSA-N 385.467 3.996 50 40 GHGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)o1 409236295 DICPLFCGSCEFLX-FMCGGJTJSA-N 380.375 3.785 50 40 GHGB CC(/C=C/c1ccccc1)=N\NC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 12362564 VQPNLYZGCOEPFK-QRCVRZPMSA-N 389.415 3.659 50 40 GHGB CC(C)C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C1=C(O)c2ccccc2C1=O 100855226 QELHAINPMNUTQC-OQKWZONESA-N 393.399 3.892 50 40 GHGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O1 706176 YESOQWLKQNRNSH-IBGZPJMESA-N 382.366 3.790 50 40 GHGB CCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OCc1ccccc1Cl 979629 ZWGZMCMSPCMKOA-ZVBGSRNCSA-N 382.247 3.973 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2C(C)C)c(OC)c1 4691115 VARNOALFKFDUCI-BUVRLJJBSA-N 397.475 3.962 50 40 GHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCC2)c(F)c1 409099454 SPENTYDUBGSDMV-WSDLNYQXSA-N 375.831 3.608 50 40 GHGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccccn1 409243666 XMEBYCFEPXIPQD-FMCGGJTJSA-N 382.851 3.672 50 40 GHGB O=C(NN[C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccccc1 408734522 XXDRMBFEGSLREK-IBGZPJMESA-N 379.847 3.954 50 40 GHGB Cc1cc(N2CCCCC2)ccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 35352326 RSBBOIUPFLLFJY-JCMHNJIXSA-N 380.448 3.586 50 40 GHGB COc1cc(/C=C/C=O)ccc1O[C@H](C)Cc1cc(OC)c(OC)c(OC)c1 49181090 SFBXSVRVKLGYSH-LQYUOIDQSA-N 386.444 3.943 50 40 GHGB biogenic,in-vitro COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(C)cc1 40888537 BPGPWGUFWIOXKK-ZMOGYAJESA-N 375.428 3.742 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OC 6180778 BQRUDCZJCQHMSK-DJKKODMXSA-N 397.656 3.884 50 40 GHGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)NCc1ccco1 18173420 ZTWKNOKQFKBQNC-UDWIEESQSA-N 383.407 3.954 50 40 GHGB CC/C(=N\NC(=O)CNC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 4458606 SWYKITIIOYRBLN-LYBHJNIJSA-N 375.428 3.607 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)Nc1ccc(C)c(C)c1 107681147 PQTIYSPGAPDGJU-CXUHLZMHSA-N 395.484 3.523 50 40 GHGB O=C(Nc1nccs1)[C@H](Br)Cc1ccc(Br)cc1 944612 OJQGQKMJCCCNCZ-SNVBAGLBSA-N 390.100 3.850 50 40 GHGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(Br)cc1 59515742 ZIWRJYQMGYOTAA-BKUYFWCQSA-N 388.265 3.513 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OC)cc3OC)cc2c1 409187250 OAIXWCDIFYOLLP-UUYOSTAYSA-N 398.415 3.621 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)c1 409195686 VEHHJCMTPIADAU-UNOMPAQXSA-N 391.471 3.847 50 40 GHGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(F)cccc3Cl)[C@H]2C1 4452842 VITDLNKSYWAGFK-HNAYVOBHSA-N 395.869 3.614 50 40 GHGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCO2 97990525 CJTOGRDQXBTJAF-WHPPYECVSA-N 391.265 3.780 50 40 GHGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ncccc2[N+](=O)[O-])cc1Cl 7071452 JWGRWTTTZQOEDY-JZOCJUILSA-N 376.800 3.584 50 40 GHGB N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4333733 YVNIMPIEAFLUPC-JLHYYAGUSA-N 391.412 3.794 50 40 GHGB CC[C@H](C)/C(C)=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 4865417 BMQCZEIESKMGDN-DHPZXVACSA-N 379.507 3.701 50 40 GHGB CC(C)N1C(=O)/C(=N\NC(=O)CNc2cccc3ccccc23)c2ccccc21 5690193 IUIBLIUSLVFSSN-ROMGYVFFSA-N 386.455 3.527 50 40 GHGB O=C(N/N=C/c1ccc(OCCOc2ccccc2Cl)cc1)c1ccncc1 5898761 PAMPOYPQNCJBFK-BUVRLJJBSA-N 395.846 3.957 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2OC)cc1 12362443 YJIGYKZJNYMDMB-YBFXNURJSA-N 377.238 3.620 50 40 GHGB O=C(NNC(=O)c1cccc2c(Br)cccc12)c1cccs1 12843181 HQQKERHYHMYJCO-UHFFFAOYSA-N 375.247 3.739 50 40 GHGB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NN=C1c2ccccc2-c2ccccc21 19851153 IGWUFPLSZWGLEQ-AWEZNQCLSA-N 387.395 3.911 50 40 GHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1 408707382 JSWLGSCISJWEIN-OFJBCHTGSA-N 386.883 3.757 50 40 GHGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1OC 409306109 YMQNRQVFZBLWLB-HAHDFKILSA-N 396.443 3.597 50 40 GHGB O=C(NNc1c(F)cccc1Cl)[C@H]1CCN(C(=O)OCc2ccccc2)C1 1538987327 XKFQNGMDOICWDX-AWEZNQCLSA-N 391.830 3.581 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1ccc(Cl)cc1Cl 4262747 DEXXXFCFYZQRBI-VIFPVBQESA-N 375.137 3.953 50 40 GHGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2cccc3ccccc23)cc1 101960411 IPNZXWCHEORANF-PCLIKHOPSA-N 389.455 3.912 50 40 GHGB Cc1ccc(NC(=O)c2nc(NNC(=O)c3ccc(C)cc3)ncc2Cl)cc1 11916335 RVYXGCFAWNFKSV-UHFFFAOYSA-N 395.850 3.756 50 40 GHGB N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2300025 GMXBBFOHPNXXIV-JLHYYAGUSA-N 391.412 3.794 50 40 GHGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)c(OC)c1 5490737 PFGYTOXDIGBOSR-SFHVURJKSA-N 388.427 3.621 50 40 GHGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)cc1 8969930 QIQYWHLFSGDYDE-GOSISDBHSA-N 391.496 3.960 50 40 GHGB Cc1ccc(N2C(=O)[C@H](C)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 2238966 PMDOUUQFERPRMN-BAOKRACBSA-N 377.469 3.515 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccccc1Cl 5887256 NOKQWZMVHQHWSR-OAHLLOKOSA-N 393.790 3.856 50 40 GHGB CCOc1ccc(/C=C(\C#N)C(=O)NCCOc2cc(C)cc(C)c2)cc1OC 1905642 GFRBLWDGUBZXGL-CPNJWEJPSA-N 394.471 3.813 50 40 GHGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)o1 1106977 KIRXWWXEPVKYHK-YDZHTSKRSA-N 391.427 3.783 50 40 GHGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 409244603 GBRBSHZRBAUWFX-QRVIBDJDSA-N 394.406 3.834 50 40 GHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cn(C)c2ccccc12)c1ccccc1 408999279 QLPDEYSYBCOMIR-WQZUMXOESA-N 392.459 3.506 50 40 GHGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OCCOc1cccc(C)c1 6154349 KMPCIROZTHZVNQ-SFQUDFHCSA-N 396.399 3.831 50 40 GHGB C=CCn1c(C)c(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c2ccccc21 33622407 CEGUCUIPPOGTPK-OEAKJJBVSA-N 377.444 3.917 50 40 GHGB Cc1sc2nc(/C(C#N)=C/c3c(Cl)nc4ccccn34)[nH]c(=O)c2c1C 7738393 NTRGRZDKMKUCGZ-YRNVUSSQSA-N 381.848 3.967 50 40 GHGB CCOC(=O)c1c(NC(=O)N/N=C/c2ccco2)sc2c1CC[C@@H](C)C2 943709 QZUNROJXEJHYRB-VURRPDKYSA-N 375.450 3.798 50 40 GHGB C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 4156451 DJVOCMGQCQHGQK-ZIAAVIHZSA-N 389.377 3.831 50 40 GHGB COCCOC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(Cl)cc2)c1Cl 7745224 RZKKCZPLUNKRME-NTEUORMPSA-N 394.258 3.643 50 40 GHGB CCCC[N+]1=C(C)C=C(C(Cl)Cl)N[B-]1(c1ccccc1)c1ccccc1 195815982 BYGMNDZIYNBXRK-UHFFFAOYSA-N 387.163 3.807 50 40 GHGB Cc1cc2c(cc1/C=N/NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)OCO2 6425783 JEVPLJWVCPUDIJ-UFWORHAWSA-N 383.385 3.611 50 40 GHGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1 9089457 KEPUJIGKSUVYEU-KRWDZBQOSA-N 395.459 3.845 50 40 GHGB CCCCCn1c(=O)c(C(=O)N/N=C/c2ccccc2F)c(O)c2ccccc21 100498555 DLQVSXSGPBYPPN-ZVHZXABRSA-N 395.434 3.800 50 40 GHGB Br[C@H]1C[C@H](Br)[C@H](Br)C[C@H]1Br 104100115 RPHHTGJFIDZLLP-RJYLNQFNSA-N 399.746 3.834 50 40 GHGB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1 2394063 QGGMQELUNZEODX-JMDDRLEFSA-N 387.480 3.504 50 40 GHGB COC(=O)c1sccc1NC(=O)/C(C#N)=C/c1c[nH]c2c(OC)cccc12 49548950 JPOWTRPBUQNQRF-DHZHZOJOSA-N 381.413 3.570 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC#N 408798324 WBOSNOVRCOYSKY-NTEUORMPSA-N 397.818 3.892 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(O)c1 409392315 OWIIJRPJWXYVRH-YDZHTSKRSA-N 377.444 3.881 50 40 GHGB COc1ccc(/C=C(/C#N)C(=O)Oc2ccc([N+](=O)[O-])c3cccnc23)cc1 97983287 ANNGWHGEOMRRMM-KAMYIIQDSA-N 375.340 3.664 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(Br)cc2)c(OC)c1 13595722 NFAYTLHKGHJFMC-UDWIEESQSA-N 391.265 3.549 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccco1 2748108 QRWZPFSUVSPSSM-WSDLNYQXSA-N 398.802 3.925 50 40 GHGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 2312241 DEYJJVODHUNPKT-MRXNPFEDSA-N 395.459 3.845 50 40 GHGB Cc1c(Br)cc(/C=N/NC(=O)c2ccncc2)cc1Br 4545163 ANHZKYMIUYYJQT-QGMBQPNBSA-N 397.070 3.679 50 40 GHGB N#Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)cc2)cc1 409193621 IASPIDSEFCHCGX-JEWPKMHUSA-N 394.434 3.895 50 40 GHGB CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] 409142020 PLXRQMYBSDMXNJ-UDWIEESQSA-N 375.812 3.730 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 409146017 PRRTVZGDNOHPOZ-SRZZPIQSSA-N 383.335 3.766 50 40 GHGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1 83252623 HZWNGLWLJNRALR-UWVJOHFNSA-N 387.189 3.688 50 40 GHGB O=C(Cc1cccs1)N/N=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1 30738397 FAAWHVICCRRJRW-DYQGDZOISA-N 380.425 3.653 50 40 GHGB COc1cc(/C=N/NC(C)=O)ccc1OCCCOc1ccccc1Cl 27841410 DWEBJEPQWXYSCK-FYJGNVAPSA-N 376.840 3.667 50 40 GHGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC(C)C)cc1 409183572 DJSUBZRJCHHWNJ-PDGQHHTCSA-N 378.428 3.871 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)n1 12949583 BFJIVILVUBOUOX-UHFFFAOYSA-N 384.871 3.813 50 40 GHGB O=C(N/N=C/c1ccccc1N1CCOCC1)c1cc2cc(Cl)ccc2o1 409019837 YCDFHTRCKYMGOQ-LPYMAVHISA-N 383.835 3.687 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)=O)c(OC)c2)c1 408745004 IYOMOZKCTHBWCW-YBEGLDIGSA-N 380.400 3.565 50 40 GHGB COc1ccc(OC)c(NC(=O)[C@@H](Br)Cc2ccccc2F)c1 94993279 GQEZLVPDTRZWLM-ZDUSSCGKSA-N 382.229 3.788 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1 6376563 VKERXRRUPLEVPW-OEAKJJBVSA-N 384.476 3.962 50 40 GHGB CCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 58822945 BGGLVRAWRUQCMD-ZVBGSRNCSA-N 382.247 3.973 50 40 GHGB CCOC(=O)/C=C(/CP(=O)(c1ccccc1)c1ccccc1)N1CCCC1 97982676 ACUAJLVKEWSEDA-ZPHPHTNESA-N 383.428 3.543 50 40 GHGB Cc1ncsc1C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 84065640 KEGFHHXIFLXGMN-LBPRGKRZSA-N 377.535 3.739 50 40 GHGB COc1ccc(-c2cc(C(=O)NNC(=O)c3ccccc3)c3ccccc3n2)cc1 2651329 CGRKZDDRLLFHDO-UHFFFAOYSA-N 397.434 3.985 50 40 GHGB COc1ccc(Oc2ccc(/C=C(/C#N)C(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 33376361 HHVKHLPFGFPHOY-VBKFSLOCSA-N 393.399 3.925 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC(F)F)cc1 715686 TXYWRDCIZLJCRS-HNNXBMFYSA-N 382.322 3.613 50 40 GHGB CCOc1ccc(OC)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 3167351 HIZWDZBSTOZNCN-LNOXHEFASA-N 376.840 3.665 50 40 GHGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\NC(N)=O)[C@@]4(C)CC[C@@H]32)C1 4897147 CDZFBBLHHNZLCF-OOKVRPSSSA-N 387.524 3.905 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCC 6613978 YELTVWXVBFCIDS-NTEUORMPSA-N 393.281 3.776 50 40 GHGB CC1=C(C#N)[C@H](c2cccc(I)c2)C2=C(CCCC2=O)N1 19805604 KPNXXYIYXHACDV-INIZCTEOSA-N 390.224 3.783 50 40 GHGB Cc1cc(C(=O)NNC(=O)CCCCc2ccc(Br)cc2)c(C)o1 40128822 GOIFOUOGASGIFH-UHFFFAOYSA-N 393.281 3.833 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 40145250 SYBHAUDNQNCRBX-UHFFFAOYSA-N 379.376 3.551 50 40 GHGB Cc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1[N+](=O)[O-] 408719721 KRNMUFOCCBEEGI-DJKKODMXSA-N 377.853 3.940 50 40 GHGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(Cl)cc1Cl 408741118 NYTXSUUPOWZWCE-SBUZPKSBSA-N 389.242 3.748 50 40 GHGB COc1ccc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 408873080 RGOHBLVNYZZIEX-DJKKODMXSA-N 393.852 3.640 50 40 GHGB CCOc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1ccccc1 409008874 OBGWYBLWXDDCJQ-RGVLZGJSSA-N 391.265 3.897 50 40 GHGB COC(=O)[C@H]1C(=O)NC(SCc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1 409136310 TWDRFMDAVMUHQV-RTBURBONSA-N 392.480 3.666 50 40 GHGB CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1 8324152 JTLNMVNYVUUVMK-UHFFFAOYSA-N 377.444 3.735 50 40 GHGB O=C(N/N=C/c1ccc(Cl)s1)c1cccc(I)c1 408964694 FFRKBKQUKSTTCA-VIZOYTHASA-N 390.633 3.770 50 40 GHGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)c(OC)c1 66091329 BQILMLZAHGVBNM-NRFANRHFSA-N 379.460 3.768 50 40 GHGB CC[Si]1(CC)O[Si](CC)(CC)N(N)P(=O)(Oc2ccccc2)N1N 195753700 FNEORTTZWVHNOO-UHFFFAOYSA-N 388.557 3.519 50 40 GHGB CCOc1cccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1O 12412379 JNBIPNCQLNPOIL-ATVHPVEESA-N 375.428 3.538 50 40 GHGB O=C(N/N=C\c1ccccc1I)c1cc2ccccc2o1 109036415 BKVCXGZGLNNTOT-ZDLGFXPLSA-N 390.180 3.801 50 40 GHGB COc1ccc(OCc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)o2)cc1 2797416 ASPXOZRJTOGILR-FQEVSTJZSA-N 392.411 3.682 50 40 GHGB Cc1cc2c(c(=O)n1Cc1cccs1)[C@H](c1cccs1)C(C#N)=C(N)O2 1262517 OUJNTKNRISARSU-INIZCTEOSA-N 381.482 3.546 50 40 GHGB O=C(NN=C1CCCC1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 57315313 UHOGIXYTDSLETE-UHFFFAOYSA-N 376.504 3.669 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 3265258 YLTGTFNQXXMVHZ-MDWZMJQESA-N 388.782 3.577 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)o1 409358975 IDAQXASEYBAPJO-LPYMAVHISA-N 393.399 3.865 50 40 GHGB C=CCc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(OCC)c1O 4672717 QKBTYLJCKFHWDW-XSFVSMFZSA-N 376.456 3.785 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C)o1 14802973 GXEGPJUIHLYPSL-UHFFFAOYSA-N 391.786 3.727 50 40 GHGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c(F)c1 408967083 PDEUNVYZWXXDAP-IFRROFPPSA-N 396.603 3.583 50 40 GHGB O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1cccs1 5948706 ABSDEGKGQZIHGD-UHFFFAOYSA-N 395.918 3.566 50 40 GHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 6230008 GKUHJYUPEWXUGB-YDZHTSKRSA-N 394.427 3.638 50 40 GHGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2F)c1 11776625 YECFRQHHWFHUSO-UHFFFAOYSA-N 385.826 3.961 50 40 GHGB O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1O 408875201 HDCZDMHJTHIBCY-XKZIYDEJSA-N 391.383 3.643 50 40 GHGB COc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccco3)c2)cc1 5381569 FHGHAGBVZQBGCV-BUVRLJJBSA-N 391.427 3.623 50 40 GHGB N#C/C(=C/c1cc(Br)c(O)cc1O)C(=O)Nc1ccccc1F 408820385 XMSXGXXZVKIHAX-YHYXMXQVSA-N 377.169 3.545 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(F)cc1 16437957 LLOSSWAEKMCKQI-LDADJPATSA-N 380.419 3.943 50 40 GHGB O=C(NNc1ccccc1)c1cc2cc(Br)cc(Cl)c2oc1=O 16490244 TUTOHBBPZZRKHD-UHFFFAOYSA-N 393.624 3.966 50 40 GHGB COc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 5559032 ADOUVARHVAEUIL-OEAKJJBVSA-N 385.895 3.711 50 40 GHGB O=C(N/N=C\c1ccc(O)cc1O)c1cc2ccccc2n1Cc1ccccc1 30885206 YLXGCJGGQHFARZ-OYKKKHCWSA-N 385.423 3.865 50 40 GHGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 4108762 QEBQQWYRSULHRA-HYARGMPZSA-N 376.416 3.737 50 40 GHGB CC/C(=N\NC(=O)CCC(=O)N/N=C(\CC)c1ccccc1)c1ccccc1 5633726 HVDDYRFGODRCND-BLVCXSLXSA-N 378.476 3.628 50 40 GHGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 13152405 YQIUPJDEIJRVOV-KOEQRZSOSA-N 389.455 3.688 50 40 GHGB O=C(N/N=C\c1ccc2c(c1)OCO2)[C@@H]1CC1(c1ccccc1)c1ccccc1 33385610 AUJDAFPYGRENTR-FXONECCMSA-N 384.435 3.872 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc(O)c1 408719056 ICKXUAVBLDHEPX-JMIUGGIZSA-N 385.763 3.978 50 40 GHGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)ccc1Cl 408722568 KUPCACRWDCQEHN-SSDVNMTOSA-N 383.791 3.546 50 40 GHGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3N)o2)ccc1Cl 408724367 DFFRSQQHLLZNBN-FOKLQQMPSA-N 397.818 3.733 50 40 GHGB C#CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408962655 IZPLYBKUTDRCKS-ZMOGYAJESA-N 390.361 3.880 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@H]1c1ccco1 409141803 KCOZGVRCCKFNGB-CYBMUJFWSA-N 387.848 3.644 50 40 GHGB C=CCn1c(C)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc21 409179019 MLUHSYWAYUXYJY-LPYMAVHISA-N 392.415 3.816 50 40 GHGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c1 6549815 ZIMZGWQGYVYAHA-MHWRWJLKSA-N 378.247 3.796 50 40 GHGB O=C(O)c1c(F)c(F)c(C[C@@H](Br)CBr)c(F)c1F 103564195 OBXJPXKXPWTMFH-GSVOUGTGSA-N 393.956 3.642 50 40 GHGB Cc1ccc(SCC(=O)NNC(=O)c2ccc(Br)cc2)c(C)c1 2621640 ADKVMJPJKTUTET-UHFFFAOYSA-N 393.306 3.619 50 40 GHGB O=C(N/N=C/c1ccc(N2Cc3ccccc3C2)cc1)c1cccc([N+](=O)[O-])c1 59503589 LLVPZXBXNWZPCG-YDZHTSKRSA-N 386.411 3.879 50 40 GHGB Cc1cc(OCC(=O)N/N=C/c2ccc(Br)cc2)ccc1Cl 3151364 MDMFBPXFOVHRNY-DJKKODMXSA-N 381.657 3.940 50 40 GHGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 4711432 SZCRNDOZEXTZGS-CPNJWEJPSA-N 377.469 3.806 50 40 GHGB COc1ccc(CCCC(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)c(C)c1 408911565 ZZQPJHBYXHTBRC-WSDLNYQXSA-N 390.867 3.844 50 40 GHGB C#CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nn1c(C)ccc1C 409379610 YLJVHYVEJZYKMI-YBEGLDIGSA-N 398.260 3.557 50 40 GHGB NNC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226341266 OIJAHXDXCQCAJT-AATRIKPKSA-N 399.647 3.824 50 40 GHGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 1437960 WNKKQOUPGJDRQB-BTYIYWSLSA-N 388.423 3.609 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 408895005 STEOZOTUROAFIC-SRZZPIQSSA-N 397.822 3.815 50 40 GHGB Cc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)ccc1N1CCCC1 408858286 YARHYHFJKQPCIZ-XDQUZPPFSA-N 396.498 3.803 50 40 GHGB COc1cccc(NC(=O)C(=O)N/N=C\c2cccc(Oc3ccccc3)c2)c1 210125997 GWZMBXZDZFJNET-HAHDFKILSA-N 389.411 3.576 50 40 GHGB COC(=O)C1=C(C)NC(SCc2cccnc2)=C(C#N)[C@H]1c1cccs1 20621662 YHGSNLBWZAHKLS-KRWDZBQOSA-N 383.498 3.945 50 40 GHGB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C(\C#N)c1nc2ccccc2s1 8055136 PEBDNFNWSUQSIC-AAWPKVBNSA-N 398.513 3.533 50 40 GHGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc3cc(OC)ccc3c2)cc1 5164384 OBGZDKOTYQODSV-HZHRSRAPSA-N 378.428 3.776 50 40 GHGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 409362044 FHBMXICQDAMBGQ-OEAKJJBVSA-N 376.412 3.900 50 40 GHGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2C)cc1 409068135 SUBAZGJVXJFUJT-HKWRFOASSA-N 375.472 3.940 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c1 408740095 DGBLUNHCUQLASI-MFKUBSTISA-N 385.423 3.910 50 40 GHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1 6022572 DMMGAQIKOMHDMV-BUVRLJJBSA-N 387.439 3.988 50 40 GHGB CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc(B(O)O)cc1)c1ccccc1 1772571119 BINZFDGAOTWQNC-YGCRUXFTSA-N 398.267 3.833 50 40 GHGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 919000 BTKVKMRUWWPUIM-CIAFOILYSA-N 379.372 3.692 50 40 GHGB Cc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 1444126 DNTUGSVARHYLOE-DJKKODMXSA-N 377.853 3.940 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(C)o1 6653115 RCQYOBJQOBCJDM-UHFFFAOYSA-N 382.391 3.689 50 40 GHGB CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc12 108949529 OYVAJFAWTMZQEJ-HMAPJEAMSA-N 377.400 3.840 50 40 GHGB COC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)cc1 1804688 NNDFKJPZODVKFI-UHFFFAOYSA-N 390.439 3.535 50 40 GHGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(C(F)(F)F)c1 409230716 FQSPXOOEWLIFKL-WDZFZDKYSA-N 377.278 3.865 50 40 GHGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409171539 DENQGKRVCGLMGX-SSDVNMTOSA-N 398.802 3.827 50 40 GHGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@H](C)CCC[C@H]3C)=C2C#N)cc1 409324267 SUFBKVLLURNRNH-NUJGCVRESA-N 397.544 3.856 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 35273954 WLZJOQKBINDHRZ-UWVJOHFNSA-N 398.202 3.683 50 40 GHGB CCOP(=O)(OCC)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 5980153 FXXTUUPVNJALHO-HNNXBMFYSA-N 393.336 3.900 50 40 GHGB NNC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1 226326830 MBQJGNPCFGGHRJ-UHFFFAOYSA-N 390.064 3.938 50 40 GHGB C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NNC(=S)Nc1ccccc1 3145733 OAPKYABBTAVTBT-JTQLQIEISA-N 383.304 3.812 50 40 GHGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)NCCc1c[nH]c2ccccc12 885623 RHCOAQCHWCUWPD-VIZOYTHASA-N 393.830 3.816 50 40 GHGB COc1cc(/C=N/NC(=O)CCCc2c[nH]c3ccccc23)cc(OC)c1OC 3074991 CUJNGOHJRHFBDO-ZMOGYAJESA-N 395.459 3.667 50 40 GHGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccc1 2053994 KJWVRAFXYQDXSN-YDZHTSKRSA-N 394.862 3.836 50 40 GHGB COc1ccc(Br)c(/C=N/NC(=O)COc2ccc(Cl)cc2)c1 3174725 NKPIZCXQAIKQBE-DJKKODMXSA-N 397.656 3.640 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 6609861 RYOPIBKEAIEABU-FYJGNVAPSA-N 376.441 4.000 50 40 GHGB CC1=CC[C@@](C(=O)O)(C(=O)N/N=C/c2ccccc2)[C@@H](c2ccc(F)cc2)C1 8782835 AMEKPZDRILJLHP-MWQAXTTASA-N 380.419 3.871 50 40 GHGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(F)cc1 58914549 JUXFASCGVQSKIL-JJFYIABZSA-N 385.782 3.828 50 40 GHGB Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 17040999 IKLTZONCLBCIMR-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB O=C(NNC(=S)Nc1ccc(Br)cc1)c1ccc(Cl)cc1 5274163 JFGZEQBKWPITBF-UHFFFAOYSA-N 384.686 3.734 50 40 GHGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C 409067521 YPXUXYSLADDDAW-ZHZULCJRSA-N 375.472 3.994 50 40 GHGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(Cl)cc1 409017077 DYQODDBPSAWGDO-UFWORHAWSA-N 391.656 3.823 50 40 GHGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)c1ccc(Br)cc1 6080237 ALBQTDCFJDCGSW-ZROIWOOFSA-N 380.245 3.953 50 40 GHGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(OC)c2)sc2c1CCCC2 2708516 FFVOHMLKDGXRSU-GXDHUFHOSA-N 396.468 3.968 50 40 GHGB COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1O 30840636 QEXVLYBHEXVZHG-UCQKPKSFSA-N 376.412 3.597 50 40 GHGB O=C(NNC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 6529629 LTNCEZPQICUTEJ-UHFFFAOYSA-N 380.831 3.994 50 40 GHGB CCc1sc(C(=O)NNC(=O)Cc2csc(-c3ccsc3)n2)cc1C 12676670 LVTDIXIDLZCAQT-UHFFFAOYSA-N 391.543 3.808 50 40 GHGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(C)C 409128921 JIKDVVJKJUYPDQ-HXUWFJFHSA-N 382.460 3.935 50 40 GHGB O=C(c1ccc(OC(F)(F)F)cc1)[C@H](Br)CBr 575358756 DDJSCWHIPFFJQF-MRVPVSSYSA-N 375.966 3.926 50 40 GHGB C[C@H](Sc1nnnn1C1CCCC1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104954924 QGAFYOIOOAMHSG-DUQXYPDUSA-N 398.517 3.791 50 40 GHGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1cccs1 3101594 OPZPOEJYMMGOHX-HYARGMPZSA-N 394.452 3.669 50 40 GHGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)o2)c1 409377426 HWMWCJIQQKGXSH-PDGQHHTCSA-N 389.411 3.829 50 40 GHGB Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 12728916 HFIXPIAHIAPADN-UHFFFAOYSA-N 391.471 3.951 50 40 GHGB CCCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 17081316 FIWCEAAVUVQOHT-KRWDZBQOSA-N 397.519 3.910 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)OC)cc2)c1C 5870309 LIFXKVQORBYVFU-UDWIEESQSA-N 380.444 3.952 50 40 GHGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc([N+](=O)[O-])s1 13943602 WOJQIUWSZKCNNP-UDWIEESQSA-N 381.413 3.852 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 752466 WOGBCQGCWMTUEA-YWZLYKJASA-N 387.395 3.803 50 40 GHGB C/C(=N\NC(=O)COc1ccc(C)c(C)c1)c1ccc(Br)cc1 1437691 JKTORIMQPMQQGB-XSFVSMFZSA-N 375.266 3.985 50 40 GHGB Cc1cc(C)c2[nH]c(=O)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 876507 AAWORZDLKCZHER-SFHVURJKSA-N 389.455 3.596 50 40 GHGB C[C@H](Br)CN(C[C@@H](C)Br)c1cccc(C(=O)O)c1 1763036 PATGZEROBABVTJ-AOOOYVTPSA-N 379.092 3.758 50 40 GHGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O 2427485 FHZOXHAJTXJURM-FOWTUZBSSA-N 389.411 3.574 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 4735342 LDAQWGGOMVEJID-GRKKMJAJSA-N 388.221 3.715 50 40 GHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(OC)cc1OC 6145640 WUAMXZCBZZWJPJ-BUVRLJJBSA-N 388.423 3.633 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1O 6207183 AEYWAVJPPQNQKT-YVLHZVERSA-N 392.411 3.763 50 40 GHGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 6477708 HDOBRULINBKGPF-QGZVFWFLSA-N 377.469 3.706 50 40 GHGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2C(F)(F)F)c1C 7653039 WWKVZRAVKQTMTI-ZDUSSCGKSA-N 380.366 3.551 50 40 GHGB N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1cccs1 9012368 PVMHZRCNRPFEHK-AWEZNQCLSA-N 384.482 3.563 50 40 GHGB CCOc1cc2c(cc1/C=C1\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c31)OCO2 31937022 KOPLNRUZENNVSC-LHHJGKSTSA-N 386.411 3.823 50 40 GHGB C[C@H]1CCCC/C1=N\NC(=O)[C@@H](C)Nc1ccc(I)cc1 103069232 RMICOYUSLWBAOI-ZPIPZWBKSA-N 399.276 3.774 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)c2cccc(Br)c2)cc1Cl 408589635 MGUJSNXNUUBUSS-DJKKODMXSA-N 397.656 3.884 50 40 GHGB N#C/C(=C/c1cccc(OCC(=O)O)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409066803 WUQGGBNJMWLTFO-QPEQYQDCSA-N 390.317 3.714 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 1214983 RMEVDAOKJWPWIT-YDZHTSKRSA-N 393.468 3.838 50 40 GHGB COc1cccc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1 3289467 UVWFZHWXHZYWTO-MFKUBSTISA-N 385.423 3.763 50 40 GHGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OC 409311589 BBCCMRXKHLLQJR-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2cc(C)ccc2C)c2ccccc21 409364152 NFCRETARCNTQBU-ZMOGYAJESA-N 391.471 3.514 50 40 GHGB N#C/C(=C\c1ccc2c(c1)OCCO2)C(=O)Nc1sc2c(c1C#N)CCCC2 14151941 AVMVTXMMILZXQX-NTEUORMPSA-N 391.452 3.815 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c(OC)c1 6230136 LCBVIVAMOGIPAB-YDZHTSKRSA-N 375.384 3.599 50 40 GHGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccsc2)CC(=O)N1 875428 WLUHHXQSCIQALC-CQSZACIVSA-N 383.498 3.767 50 40 GHGB COc1ccc(OC)c(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 101396610 WJJMBXVHSKGYTG-PTNGSMBKSA-N 378.837 3.608 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 9260293 CEKCJCCXMZHUIU-WSDLNYQXSA-N 378.384 3.726 50 40 GHGB Cc1ccc(NC(=S)NNC(=O)c2cc(Br)cs2)c(C)c1 2793711 BGRXJJKWPRYOGB-UHFFFAOYSA-N 384.324 3.759 50 40 GHGB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 808817 HBEVGDDTJFNCTO-KRWDZBQOSA-N 380.835 3.649 50 40 GHGB N#CC(C(=O)COC(=O)/C=C/c1cccc(Cl)c1)=C1Nc2ccccc2N1 3278263 FPGUXLOJFNAWBV-CMDGGOBGSA-N 379.803 3.738 50 40 GHGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1cccc(Cl)c1 6897437 WINJYYBXVXCGPV-FOKLQQMPSA-N 399.907 3.780 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408962786 VAANVQIWSXOWCT-GIJQJNRQSA-N 388.177 3.867 50 40 GHGB N#C/C(=C/c1cc2c(cc1Cl)OCO2)C(=O)NCCc1c[nH]c2ccccc12 13425327 RHCOAQCHWCUWPD-CHHVJCJISA-N 393.830 3.816 50 40 GHGB CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 658738 USGDMXJXLREKEL-LJQANCHMSA-N 382.460 3.935 50 40 GHGB CN1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 26967646 KQWUWMKEVFSOCB-JLHYYAGUSA-N 390.270 3.934 50 40 GHGB COc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1Cl 4735300 MCULTRZHRPLTBF-VXLYETTFSA-N 381.657 3.804 50 40 GHGB CC[C@H](C)Oc1ccccc1/C=N\NC(=O)COc1cccc2cccnc12 409017561 MIDMHMUUPPTETK-SGMWPGOQSA-N 377.444 3.941 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 408781926 DCHIKWQFUJSKAE-LPYMAVHISA-N 392.415 3.775 50 40 GHGB N#C/C(=C/c1cccn1-c1ccccc1F)C(=O)Nc1cccc(C(=O)O)c1 408545462 YYDUNKQWORECGN-QINSGFPZSA-N 375.359 3.860 50 40 GHGB Cc1ccc(C(=O)NNC(=O)CSc2nc3c(C)cccc3cc2C)cc1 932897 MJVPAZGNJDCWEG-UHFFFAOYSA-N 379.485 3.713 50 40 GHGB O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 867818 RKSODXZMUDSONJ-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB Cc1ccc(C)c(NC(=S)NNC(=O)c2ccccc2Br)c1 1410841 OANIQYGHEJYIOA-UHFFFAOYSA-N 378.295 3.697 50 40 GHGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(=O)NCc1ccccc1 408747287 LQKJPCGTSXDAIJ-GDNBJRDFSA-N 389.367 3.784 50 40 GHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2cccc3ccccc23)cc1 4680206 QQXJCVCJANLKPL-NTCAYCPXSA-N 387.439 3.663 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2C)cc1 408587266 FBAPQYSZMWJRHE-ZMOGYAJESA-N 389.455 3.824 50 40 GHGB N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1ccccc1 9015458 OFXKAMPAVNRASZ-KRWDZBQOSA-N 378.453 3.502 50 40 GHGB CCOc1ccc(CC(=O)N/N=C\c2cc(Cl)c(O)c(OCC)c2)cc1 408712009 VMZWTSPSWACKRN-MTJSOVHGSA-N 376.840 3.536 50 40 GHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 408798916 XOGRXRIUXGTEJE-GXDHUFHOSA-N 397.228 3.712 50 40 GHGB C=C1CC(C(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 408730935 WLWCOHYYWCSUIN-WSDLNYQXSA-N 395.415 3.599 50 40 GHGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1O 14134721 BESDSFMZOZGVFR-LPYMAVHISA-N 391.383 3.643 50 40 GHGB COc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1ccc(F)cc1Cl 226336859 BQDSKIJJHUCFRC-GORDUTHDSA-N 385.222 3.723 50 40 GHGB O=C(Cl)c1cccnc1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 58406660 QWRBQOGZBGJFJV-UHFFFAOYSA-N 383.801 3.802 50 40 GHGB CN(C)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 688540 QCICHUASHJMQIX-JTSKRJEESA-N 385.467 3.961 50 40 GHGB O=C(COc1ccc(/C=N\NC(=O)c2ccco2)cc1)Nc1ccccc1Cl 408999383 KRXMXPDNKPETPF-UUYOSTAYSA-N 397.818 3.714 50 40 GHGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)N2C(=N1)SC(C#N)=C2N 408608328 VUVCCRZKLNJBGY-MRXNPFEDSA-N 386.452 3.554 50 40 GHGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc(OC)c1OC 409141667 ILZWARAVNDKXAD-OMBDHMDGSA-N 388.489 3.652 50 40 GHGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2C)c1 409098846 QRMYIUDRSHQIFM-ZHZULCJRSA-N 375.472 3.994 50 40 GHGB O=C(N/N=C/c1ccncc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 1085734 JZFWFTZRWXENED-YDZHTSKRSA-N 378.819 3.751 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H]1c1ccc(Cl)cc1 1437248 ZGRMPYKTZQASAE-HNNXBMFYSA-N 393.790 3.856 50 40 GHGB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNC(=O)c5ccco5)(C4)C2)C3)cc1 100781727 FFYLSNKUJVACGX-SNTCSEMISA-N 394.471 3.587 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc(Cl)ccc1O 5869324 OHVAXDKICKWECM-KEBDBYFISA-N 385.763 3.978 50 40 GHGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)COc1cccc(C)c1 4713827 OQZQFUGHEJBNSY-HKOYGPOVSA-N 381.476 3.820 50 40 GHGB COc1cc(Cl)cc(/C=N/NC(=O)c2ccccc2Br)c1O 4815508 VEUPJLWTVHFLSO-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB CCCN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 18325258 OWSGATDUOQJWQU-LVWGJNHUSA-N 393.487 3.774 50 40 GHGB Cc1n[nH]c2c1[C@H](c1ccc(-c3ccc(Br)cc3)o1)C(C#N)=C(N)O2 8973551 HZWFEGAPBOLSSI-INIZCTEOSA-N 397.232 3.959 50 40 GHGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 409159960 CYBYYIFZAKHOOT-HYARGMPZSA-N 375.384 3.938 50 40 GHGB COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 409185286 VWVLLDTWJPQLCK-ZVHZXABRSA-N 391.471 3.940 50 40 GHGB O=C(N/N=C/c1cccs1)c1ccn(Cc2ccc(Br)cc2)n1 1086985 XPZLSXIBPFPWFJ-VCHYOVAHSA-N 389.278 3.519 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCC 6959561 HXVRKQOVBFEODX-VXLYETTFSA-N 395.253 3.912 50 40 GHGB CC(C)[C@H](Br)C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408533922 PNRHDXSKTSZIAG-HNNXBMFYSA-N 395.301 3.617 50 40 GHGB O=C(N/N=C/c1cc(Br)cs1)c1cncn1-c1ccc(F)cc1 36308939 UTMCYZJLKZVWEE-KPSZGOFPSA-N 393.241 3.599 50 40 GHGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NC(C)C)cc1OCC 7165408 DJNHFARWSKSGHG-RIYZIHGNSA-N 393.281 3.844 50 40 GHGB CCOc1cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)ccc1OC 409323638 OUVOWGKQNMRTCD-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)c2ccccc2Cl)cc1Br 5720113 ROMXSMGDNZPJFP-DJKKODMXSA-N 397.656 3.884 50 40 GHGB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NNC(=O)c1ccco1 35313310 DSXDPKHVELPRSZ-UHFFFAOYSA-N 393.877 3.610 50 40 GHGB COc1ccc(OCC(=O)N/N=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 208207391 JEPVWXDBBLBOEL-SGMWPGOQSA-N 395.503 3.946 50 40 GHGB COc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 102820977 ZVFOQQHHBBYRSX-RVDMUPIBSA-N 378.837 3.608 50 40 GHGB O=C(NN[C@H](c1ccccc1)c1ccco1)C(O)(c1ccccc1)c1ccccc1 778175 UZOBNJKQLGCRGR-HSZRJFAPSA-N 398.462 3.926 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)OCCO)c(C)n1-c1cccc(Cl)c1Cl 23076054 GUWUMLLPVMYXEL-NTEUORMPSA-N 379.243 3.843 50 40 GHGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ncccc2[N+](=O)[O-])cc1Cl 7078351 JWGRWTTTZQOEDY-KKBVUKDESA-N 376.800 3.584 50 40 GHGB O=C(c1ccccc1)[C@@H](Br)[C@@H](C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1664808 JTDZREGXXRJPQT-GJZGRUSLSA-N 393.193 3.602 50 40 GHGB BrCc1ccc(-c2nn3c(CBr)nnc3s2)cc1 100677241 NWFPAPJOCVPEEO-UHFFFAOYSA-N 388.088 3.643 50 40 GHGB C/C(=N/NC(=O)c1cc(-c2ccc(OCC(C)C)cc2)n[nH]1)c1ccccc1O 100915132 MIBTXDHQJKHZJX-HAHDFKILSA-N 392.459 3.971 50 40 GHGB N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(C(F)(F)F)cn1 58180795 FWZVNFCYWMCMCD-WZUFQYTHSA-N 377.278 3.844 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccccc1Cl 408591442 TUOORXASHCHLKV-VMHRPQTGSA-N 381.863 3.931 50 40 GHGB O=C(Cc1c(-c2cccs2)[nH]c2ccccc12)NNC(=O)c1ccccc1O 9950927 LEMCIRPVXKEDJP-UHFFFAOYSA-N 391.452 3.606 50 40 GHGB CCc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 876481 TUDTUWOYYLOQKQ-IBGZPJMESA-N 389.455 3.541 50 40 GHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 1063932 WUEZWLZMWZXHSW-RGVLZGJSSA-N 383.795 3.506 50 40 GHGB O=C(N/N=C/c1ccncc1)c1ccc(COc2cccc3cccnc23)cc1 3224307 LPMIBQCIWHTMHC-CVKSISIWSA-N 382.423 3.973 50 40 GHGB Cc1ccc(C)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc5c(c4)OCO5)c32)c1 4166624 VNPLYGRBZUADIN-SFHVURJKSA-N 386.411 3.640 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCc1ccccc1 8814619 LAIINEDXBZIVGC-ZVHZXABRSA-N 375.428 3.620 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1 408588679 JHCUSRHRRMONND-VXLYETTFSA-N 377.238 3.706 50 40 GHGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OC)c([N+](=O)[O-])c1 408864283 UZKPOTMSQUPXKJ-KPKJPENVSA-N 387.779 3.811 50 40 GHGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1 1093634 RSZZZSLOLBQJMI-BHGWPJFGSA-N 391.358 3.728 50 40 GHGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C 8122977 HZQDPBQKDDTENP-OEAKJJBVSA-N 377.444 3.632 50 40 GHGB O=C(CBr)[C@@H](Br)[C@@H](Br)c1ccccc1 1555436 ZCLSLWPGIJDTTO-VHSXEESVSA-N 384.893 3.850 50 40 GHGB CCOc1ccc(NC(=O)CCC(=O)N/N=C2/CCCc3ccccc32)cc1 30976813 AFSJUAPNJLSPQC-GFMRDNFCSA-N 379.460 3.661 50 40 GHGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(Br)cc1)Nc1ccccc12 2257303 MTSKAOKUDRLMGT-QGZVFWFLSA-N 390.244 3.907 50 40 GHGB Cc1cc(OCC(=O)NNC(=O)CCCc2c[nH]c3ccccc23)ccc1Cl 12817834 HVKPOUQLYSMTIZ-UHFFFAOYSA-N 399.878 3.679 50 40 GHGB CC(C)c1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2 6492553 OFHLATCYEMCERE-INIZCTEOSA-N 390.399 3.563 50 40 GHGB COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 5700414 MJIMUROLOMPRMJ-LFIBNONCSA-N 389.411 3.636 50 40 GHGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1nc2ccccc2n1C 7674768 VAAIPEIFWOOCGB-SSDVNMTOSA-N 391.258 3.799 50 40 GHGB N#C/C(=C\c1ccc(I)cc1)C(=O)Nc1ccc(O)cc1 408799092 YBNSXXBBDKIGHO-FMIVXFBMSA-N 390.180 3.542 50 40 GHGB N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c(N)c1C#N 408822639 PYICCTHFNXGULZ-MDWZMJQESA-N 390.790 3.952 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(F)c3)c2C)cc1 408741117 GTHOHQAHFJEEGK-ZMOGYAJESA-N 393.418 3.784 50 40 GHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(OC)c2)cc1 193794839 RGDGNUKQSMHJCW-NVNXTCNLSA-N 386.835 3.589 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)nn2-c2ccccc2)cc1 3110546 VVCCDUFXLXARQW-LFVJCYFKSA-N 389.503 4.000 50 40 GHGB N#C/C(=C\c1c[nH]nc1-c1ccc(F)cc1)c1nn(-c2ccccc2)c(N)c1C#N 4576354 XIMBJGAKOKVNAR-XNTDXEJSSA-N 395.401 3.920 50 40 GHGB O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 45438637 DFHXKRMEAVIXCI-DLBZAZTESA-N 393.409 3.834 50 40 GHGB CC1=C(C#N)[C@@H](c2cc(F)ccc2F)C(C(=O)OCc2ccccc2)=C(N)O1 1073650 MMHCLBYZJSWRJD-GOSISDBHSA-N 382.366 3.790 50 40 GHGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 7649920 RVYUYKCAZBPVBB-IRXDYDNUSA-N 392.455 3.530 50 40 GHGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C(C)(C)C)cc1 8733160 QNHRPSKTEUVWGZ-OAHLLOKOSA-N 383.330 3.993 50 40 GHGB CCn1c(C)cc2c(c1=O)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 2348699 FWJYWPKXKJUPSM-AWEZNQCLSA-N 376.243 3.702 50 40 GHGB O=C(CN(C(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(F)cc1 5370184 XTVPNBPGBZWKNI-BUVRLJJBSA-N 375.403 3.623 50 40 GHGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1ccccc1Cl 6626402 WKNOXGCLKUAVGK-FOKLQQMPSA-N 399.907 3.780 50 40 GHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1 409382984 PUYZSAFKTWSNOW-RVDMUPIBSA-N 375.384 3.740 50 40 GHGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3cc(OC)c4c(c3)OCCO4)c2c1 40139897 UBCNUVRXSMJVDX-VGOFMYFVSA-N 390.395 3.746 50 40 GHGB O=C1[C@@H](Br)[C@H]2CC(CBr)C[C@@H](C2)[C@H]1Br 100211969 NIGHUSUWVGGZII-BQNZPOLKSA-N 388.925 3.524 50 40 GHGB O=C(NNc1cc(-c2ccccc2)nc2ncnn12)Nc1ccc(Cl)cc1 1016663 OXFJNLHZOBDVSO-UHFFFAOYSA-N 379.811 3.593 50 40 GHGB COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc(OC)c1OC 409136078 WRTNOERTAVLFQN-FYJGNVAPSA-N 388.489 3.653 50 40 GHGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Cl)c1O 409363077 KWBLMUIMWDWGBJ-ZVBGSRNCSA-N 382.247 3.660 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1cccnc1 408544547 URKKFXPUDFIUBF-ZDLGFXPLSA-N 386.411 3.733 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cccs2)c1C 408589388 LNSNSLJAQCPMFL-RGVLZGJSSA-N 398.444 3.836 50 40 GHGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccs1)c1ccc([N+](=O)[O-])cc1 5173168 HUJIUJAGTAZMNH-UDWIEESQSA-N 394.412 3.673 50 40 GHGB O=C(CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 1678884 AQXGDGODCOTEIA-UHFFFAOYSA-N 388.332 3.574 50 40 GHGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(I)cc1 7894154 KPNFAVWVUPYBTP-VCHYOVAHSA-N 382.176 3.584 50 40 GHGB CCOc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)cc1OC 818291 LWNGGONFUWRODU-LJQANCHMSA-N 395.484 3.702 50 40 GHGB CC(/C=C/c1ccccc1)=N\NC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C 13882077 QTHLLAHIELNVIA-XZPVGCIBSA-N 394.431 3.827 50 40 GHGB Cc1cc(C(=O)N/N=C2/CC(=O)c3ccccc32)c(C)n1-c1ccc(F)cc1 100496566 XZYKCICOHPTMNK-GFMRDNFCSA-N 375.403 3.954 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1O 2380573 ZUJQAGYGAXCXEX-KEBDBYFISA-N 385.763 3.978 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2oc3ccc(Br)cc3c2C)cc1 3458378 NDUMERFAOKMCPO-UHFFFAOYSA-N 387.233 3.887 50 40 GHGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1O[C@H](C)C(=O)O 409233620 TXCYIGDVLYEZDV-QJISPJEISA-N 394.427 3.710 50 40 GHGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(OC)c1O 408805506 KVMPFCCVAPQDKJ-GZTJUZNOSA-N 378.428 3.992 50 40 GHGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 408568681 WBPCDWHQRJWRFD-LPYMAVHISA-N 399.447 3.602 50 40 GHGB CCN(CC)c1cc(OC)c(/C=N/NC(=O)c2ccco2)cc1Br 827324 OSBYYTNFSSAWHI-YBFXNURJSA-N 394.269 3.661 50 40 GHGB CCCCN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1C 4180543 NHXWENTXFWRDQT-HYARGMPZSA-N 398.463 3.669 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)c(OC)c1 3383448 GMGKNNINZNUJDD-OVMKCGGTSA-N 388.489 3.663 50 40 GHGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2cccc(C(F)(F)F)c2)cc1 9418805 VMXBAXWHCRNMTQ-LFIBNONCSA-N 382.363 3.965 50 40 GHGB COc1ccc(OCC(=O)N/N=C\c2ccc(Sc3ccccc3)o2)cc1 36150963 XUFMLYFFGRNQJV-BKUYFWCQSA-N 382.441 3.969 50 40 GHGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2)c1 408734534 HOLMSFAOGRHSKY-IMEWXKHHSA-N 376.456 3.776 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 408741331 LGTGEYVQBOZFMG-RIYZIHGNSA-N 397.387 3.556 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(OC)cc2nc1Cl 1223589 MJKWFLAZFVYRBT-KRWDZBQOSA-N 399.834 3.542 50 40 GHGB CCc1cc2cccc(C)c2nc1SCC(=O)NNC(=O)c1ccc(C)cc1 4849291 AALIUQLTEUWAHT-UHFFFAOYSA-N 393.512 3.967 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(F)cc1 7892792 RCRJKPAZBKNYIX-ZMOGYAJESA-N 379.391 3.572 50 40 GHGB Cc1ccc(CN2C[C@H](C(=O)NNc3ccccc3C(F)(F)F)CC2=O)cc1 68772971 PLAXPHPXMOQWKF-OAHLLOKOSA-N 391.393 3.506 50 40 GHGB COc1ccc(CC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1 409166435 DJLWWBNDYLPKBK-XKZIYDEJSA-N 393.399 3.865 50 40 GHGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408963141 AFONAGGANPVIJU-CIAFOILYSA-N 390.355 3.601 50 40 GHGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(O)c3)c2C)cc1 409187867 VFQLJWRURYZVNK-UCQKPKSFSA-N 377.444 3.962 50 40 GHGB COc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1Br 30802404 HLUHVGXLXDNPHI-OCKHKDLRSA-N 397.656 3.640 50 40 GHGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2)cc1 13132739 WESYUHJMWAZVHB-LPYMAVHISA-N 389.839 3.980 50 40 GHGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C(N)=O)cc3)n2)c1 875681 GQKKMFIPCXOCBM-RVDMUPIBSA-N 376.441 3.894 50 40 GHGB COc1ccc(CCNC(=O)/C(C#N)=C/c2c(C)[nH]c3ccccc23)cc1OC 1456691 XAZHXMMRSKCQCR-GHRIWEEISA-N 389.455 3.759 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)cc1 6476804 RORHMEFCLFNFKH-QGZVFWFLSA-N 377.469 3.706 50 40 GHGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)N2C(=N1)SC(C#N)=C2N 408605748 MZDNJNWNKDRNMG-OAHLLOKOSA-N 388.880 3.676 50 40 GHGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccs1 408978755 JUGOSQCBHOIIIX-QTCOBDOFSA-N 377.469 3.760 50 40 GHGB O=C(c1ccc(Br)s1)[C@H](Br)CBr 307179733 MOKKFZQIKRYFJF-SCSAIBSYSA-N 376.895 3.852 50 40 GHGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C 408936746 IMPCGPAIMHTBND-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 408796770 PWCWANGEHVFGDG-LDADJPATSA-N 378.428 3.791 50 40 GHGB O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 5899583 FOKREWGNSSQTQH-HYARGMPZSA-N 389.367 3.578 50 40 GHGB O=C(NNC(=O)c1ccccc1SCc1ccsc1)c1ccccc1O 12885986 IHBSNOXTZWZBII-UHFFFAOYSA-N 384.482 3.821 50 40 GHGB O=C(c1ccccc1)[C@@H](Br)[C@H](C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1664810 JTDZREGXXRJPQT-CABCVRRESA-N 393.193 3.602 50 40 GHGB O=C(/C=C/c1ccco1)Oc1cccc(/C=N\NC(=O)c2ccc(F)cc2)c1 30822071 AVMVLVQPLJOZJD-PCAIFWSDSA-N 378.359 3.801 50 40 GHGB C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1cc(F)ccc1O 6683794 PWUTVCGIWOPJIW-IGCPIRJNSA-N 391.617 3.623 50 40 GHGB O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1cccc(Cl)c1 23358623 LAWOCAYYTZHRKJ-ZMOGYAJESA-N 389.846 3.902 50 40 GHGB O=C(N/N=C/c1ccccc1Br)c1cc(Br)ccc1O 5175719 NISRCOBJTCUWNE-CAOOACKPSA-N 398.054 3.681 50 40 GHGB COc1cccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1OC 1433473 JRRVIIIDFSYGFW-KEBDBYFISA-N 378.881 3.741 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 13598180 MWAHWQTUANNCTD-UQNFDQQLSA-N 392.480 3.984 50 40 GHGB C/C(=N\NC(=O)COc1ccc(Br)cc1C)c1ccc(C)cc1 952002 GMKPLSBYHSHNAO-XSFVSMFZSA-N 375.266 3.985 50 40 GHGB O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1F 5649953 LCKDOTGVTKNPAI-DAFNUICNSA-N 387.414 3.549 50 40 GHGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CCc3ccccc3)o2)c1 409043443 MHBVWELSOLWNIV-HZHRSRAPSA-N 376.412 3.816 50 40 GHGB Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)cc1 40137514 WJKIZCATZJJFBF-LVWGJNHUSA-N 399.450 3.555 50 40 GHGB CCc1ccc2c(c1)/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)C(=O)N2 8446081 UNLPGEUHDBHJMR-UHFFFAOYSA-N 379.460 3.532 50 40 GHGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc2ccccc2[nH]1 12360089 ILEFICPYVHYZCB-SDNWHVSQSA-N 390.424 3.534 50 40 GHGB CC(C)(C)NC(=O)[C@@H](Br)[C@H](Br)c1ccc(C#N)cc1 3172961 DMJZOKRFIGZXSJ-NEPJUHHUSA-N 388.103 3.672 50 40 GHGB COC(=O)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 5827240 BSQVPQMPSDBIOK-GXDHUFHOSA-N 391.452 3.714 50 40 GHGB C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409145645 QMRFBWGIGFAQIR-SFHVURJKSA-N 399.878 3.643 50 40 GHGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@H]1c1ccc(Br)cc1 5886836 GTRRWYMZCUABKR-KRWDZBQOSA-N 382.261 3.834 50 40 GHGB COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccccc2C(C)C)c1 5727539 YLBREUUKDXOERI-LFVJCYFKSA-N 397.475 3.718 50 40 GHGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(N2CCCC2)cc1 7384296 LLQAUWJYBZDNLT-UDWIEESQSA-N 388.265 3.519 50 40 GHGB O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 30817694 FGTNOLZPDVFHAT-IUXPMGMMSA-N 382.601 3.775 50 40 GHGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NC1CCCCC1 862405 OOKUWTCYOWZESK-WUXMJOGZSA-N 377.238 3.534 50 40 GHGB CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 18191791 DGIXDQQDSJIVNS-DNECFQKRSA-N 394.431 3.862 50 40 GHGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)c(C)c1 9108778 QRXBITHZVFTQAX-HNNXBMFYSA-N 395.484 3.915 50 40 GHGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccncc1 409110507 CWTRHJFSEYPCTF-BKUYFWCQSA-N 378.413 3.905 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCC 408766941 XHWOJCVZLUWYBZ-VCHYOVAHSA-N 381.226 3.603 50 40 GHGB CN(NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1ccccc1 32856118 NOHVDLFIJHVTIE-HNNXBMFYSA-N 395.406 3.676 50 40 GHGB COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 409100792 VEKWZGUZSKWNBG-INIZCTEOSA-N 391.210 3.949 50 40 GHGB COC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)ccc1Cl 408881093 LWGCNUOFKNNSBO-JJFYIABZSA-N 398.802 3.856 50 40 GHGB O=C(N/N=C\c1cccc2ccccc12)C(=O)N/N=C\c1cccc2ccccc12 31637055 KPYCHFOQJHKCSM-YXHOTNNGSA-N 394.434 3.593 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1cc(C)ccc1C 409362857 KIVQUNUYTZKZJE-XKZIYDEJSA-N 399.288 3.771 50 40 GHGB N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccccc1 5604277 NWGBPCLASWEUOS-BXWFABGCSA-N 384.361 3.875 50 40 GHGB CC(/C=N/NC(=O)c1cc2ccccc2o1)=N\NC(=O)c1cc2ccccc2o1 13562917 NQNIDVLRBJABOB-FWSOMWAYSA-N 388.383 3.701 50 40 GHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 6363404 FTFVBNVIROUTNE-LPYMAVHISA-N 380.835 3.853 50 40 GHGB N#Cc1ccc(CSCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 40120574 KUKDZKHEWBWDRN-UHFFFAOYSA-N 397.544 3.545 50 40 GHGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccnc2)sc2c1CCCC2 2708507 IGDJNHYUNNIJSM-GXDHUFHOSA-N 381.457 3.744 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccccc1C#N 59334281 RSLUKBWPFKMGRS-IUXPMGMMSA-N 395.846 3.794 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 3573072 JJQJLLOHEYCWRC-FYJGNVAPSA-N 380.425 3.740 50 40 GHGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1 38650319 JSHSCEWERONUSI-HXUWFJFHSA-N 388.379 3.726 50 40 GHGB C/C(=N\NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 5162043 YFOVEISVNOPWGC-ODCIPOBUSA-N 389.786 3.899 50 40 GHGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1 408803987 BNKKHKSBSYIMLQ-DEDYPNTBSA-N 378.472 3.860 50 40 GHGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2)CC1 255001606 GAHUBYFTCCKXLR-LGMDPLHJSA-N 385.389 3.961 50 40 GHGB COC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 2300736 APEJNGILAGMXDN-GMQRBVGNSA-N 378.453 3.594 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 5164055 MZZYKXWCKJLUQN-SFHVURJKSA-N 388.427 3.702 50 40 GHGB O=C(NN[C@@H](c1ccccc1)c1ccco1)C(O)(c1ccccc1)c1ccccc1 778174 UZOBNJKQLGCRGR-QHCPKHFHSA-N 398.462 3.926 50 40 GHGB CC(=O)Oc1ccccc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1 4954296 RHZNARRLGQFUBH-BUVRLJJBSA-N 388.423 3.808 50 40 GHGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 720250 LWCKMFWROVGYFH-SFHVURJKSA-N 378.382 3.665 50 40 GHGB COc1cccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(=O)O)c2)c1 4560726 PIOHQTIPUOYDPW-FOWTUZBSSA-N 387.395 3.730 50 40 GHGB CCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 9087039 RJDNUPCKXWQMLL-SNVBAGLBSA-N 385.272 3.628 50 40 GHGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOCC3)c2C)cc1Cl 409063160 HVGLBINSRTXCGN-GZTJUZNOSA-N 399.878 3.522 50 40 GHGB CCOC(=O)c1ccc(NC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 5718027 NRCRSPLJFMVWHP-UHFFFAOYSA-N 387.480 3.510 50 40 GHGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC(C)C)cc1 2622365 OIOLZGOPOQBJTP-QGOAFFKASA-N 386.455 3.979 50 40 GHGB Cc1ccc(C(C)C)c(OCC(=O)N/N=c2/c(=O)c3cccc4cccc2c43)c1 3280021 OGGGLRSXMLIMLH-WNAAXNPUSA-N 386.451 3.672 50 40 GHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 408540654 ATLZELMPXMAUEE-YBEGLDIGSA-N 380.400 3.728 50 40 GHGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccc1C(F)(F)F 408726204 JUONVSYCEMDMQX-ZVBGSRNCSA-N 397.378 3.997 50 40 GHGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1O 409247688 AKKMHJJIZHURKA-SRZZPIQSSA-N 394.258 3.958 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 2292765 AJFXAKTZPJLPHS-JJIBRWJFSA-N 391.471 3.512 50 40 GHGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(F)cc1 1052161 KPXOULMGWCTAHS-DJKKODMXSA-N 381.270 3.972 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)ccc2nc1Cl 925141 RIVQWWPOQPHQFZ-KRWDZBQOSA-N 383.835 3.841 50 40 GHGB Cc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N32)cc1 12275115 KTLLBZVXIIGHGJ-DYESRHJHSA-N 380.444 3.777 50 40 GHGB CC1=C(Cl)/C(=N/S(=O)(=O)c2ccc(C)cc2)[C@H](Cl)[C@@](C)(Cl)C1=O 4387350 KLQXEAQCFRZMLQ-YSLQZMOCSA-N 394.707 3.825 50 40 GHGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 9110567 HSSVBBKOMWCJQP-ZDUSSCGKSA-N 383.498 3.767 50 40 GHGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)NC1CCCCCC1 409006928 SQBPXLXKCNDCJR-LFVJCYFKSA-N 393.487 3.555 50 40 GHGB CSc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 409004247 BNORIOSTCUOBNO-OEAKJJBVSA-N 399.491 3.550 50 40 GHGB C#CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 8554012 FWNJJLHXLRMFCW-UDWIEESQSA-N 379.397 3.585 50 40 GHGB CCOC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 3644067 KZPUIDIDYJHRAG-FOWTUZBSSA-N 389.411 3.574 50 40 GHGB COc1cccc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)c1OC 6286402 JKXFCYWFEQHYJX-OEAKJJBVSA-N 377.444 3.875 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(N)=O)c(C)n1-c1cccc2ccccc12 5280671 ZMFBRKAHZNSDMU-QUYZQLMHSA-N 387.439 3.571 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCC 408965843 JACGGLPAPCAKKJ-FOKLQQMPSA-N 389.814 3.912 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1C 409069156 CDWUZJNCUVHTDB-HKWRFOASSA-N 375.472 3.940 50 40 GHGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)O 409366559 WDKXGJUMQYLNCA-PQMHYQBVSA-N 387.775 3.605 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)cc1 1081755 OJJXSLOOBADCIV-XQNSMLJCSA-N 375.476 3.542 50 40 GHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(Br)s1 1243869 NWNQZHPFFKRRAK-FRKPEAEDSA-N 396.291 3.894 50 40 GHGB Cc1ccc(NNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1Cl 32908255 LGRAHEIJOILULE-OAHLLOKOSA-N 377.897 3.848 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(OC(C)C)c1 408599319 SOROFWUZAZKOGD-CIAFOILYSA-N 385.420 3.933 50 40 GHGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2)CC(=O)N1 9110563 LLINNVFGSWNVID-AWEZNQCLSA-N 378.881 3.755 50 40 GHGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1Cl 409130357 HJXJGFNESUPGFY-SSDVNMTOSA-N 396.249 3.733 50 40 GHGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OCC 409309031 AGPFHYOQOLACTG-HAHDFKILSA-N 398.459 3.821 50 40 GHGB Cc1csc(C2(NS(=O)(=O)c3ccc(CCCCl)cc3)CCC2)n1 72307425 GGZJTTYECCEUJF-UHFFFAOYSA-N 384.954 3.981 50 40 GHGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3)cc2)c1 6034639 ZRULWOMMKUOXHT-XNTDXEJSSA-N 399.450 3.722 50 40 GHGB Cc1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 993666 VWARUATZJLYOGB-UFFVCSGVSA-N 386.249 3.768 50 40 GHGB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1 2264368 IEIWNRLSBIUWIE-QQZPLFJDSA-N 387.480 3.504 50 40 GHGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 7649918 RVYUYKCAZBPVBB-DLBZAZTESA-N 392.455 3.530 50 40 GHGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1 40006522 AUUXJTOAUBIJLM-QGOAFFKASA-N 384.863 3.979 50 40 GHGB COc1cc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc(OC)c1OC 226327949 PRFHMSIRKGPDND-UHFFFAOYSA-N 376.796 3.698 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1OCC 408970067 ZRRCCWMLVUEGFV-OEAKJJBVSA-N 397.475 3.580 50 40 GHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)c1 408972222 NTGDOEHUCGWREB-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB CCOc1ccc(NC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 409187435 QHOHJJNSQDPOON-XKZIYDEJSA-N 399.447 3.571 50 40 GHGB C/C(N)=C(\C#N)C(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1 104705933 IDSGEIFRLJRCPT-SSZFMOIBSA-N 375.457 3.791 50 40 GHGB C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 4402164 CBGRYWAEIHKGIM-CIAFOILYSA-N 388.811 3.691 50 40 GHGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 5531560 VSDHTWHNBCGUGL-ZICWZVMQSA-N 376.865 3.896 50 40 GHGB COc1cccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)c1 20348321 GTBHMKZWRGIYAA-LJQANCHMSA-N 391.496 3.910 50 40 GHGB N#C/C(=C/c1ccccc1I)S(=O)(=O)c1ccccc1 32561915 DNWSHMJBSUYOME-UVTDQMKNSA-N 395.221 3.630 50 40 GHGB CCCCCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2747462 BNCZASIUUHLSRR-KGENOOAVSA-N 385.420 3.936 50 40 GHGB O=C(CSc1cccc[n+]1[O-])NNc1c(Cl)cc(Cl)cc1Cl 3277678 LMOAHOMRZWEVKD-UHFFFAOYSA-N 378.668 3.516 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)Nc2ccc(C)cc2)cc1Br 4507664 SILBEHGCSZVWKI-VXLYETTFSA-N 392.253 3.930 50 40 GHGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 6543537 AWMOCJLPWGADOK-MRXNPFEDSA-N 392.430 3.573 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCCSc1ccc(Cl)cc1 4603538 DBWWUITWGKSEOM-GXDHUFHOSA-N 388.876 3.912 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2OC)cc1 223165795 CUSVPTYRPVYHPT-QINSGFPZSA-N 382.416 3.657 50 40 GHGB C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)c1cc2ccccc2cc1O 100835207 KYIFPUXIRYYZKI-AFUMVMLFSA-N 386.411 3.552 50 40 GHGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNc1cccc(Cl)c1Cl 2048554 GSSMRTFROZJREY-CYBMUJFWSA-N 382.272 3.940 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2C)c(OC)c1 832199 BWLBLDJMKUCWMP-YDZHTSKRSA-N 384.476 3.839 50 40 GHGB C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(C(C)(C)C)cc1 27528003 LSYDFVMRLACYQA-XIEYBQDHSA-N 393.531 3.970 50 40 GHGB Cc1[nH]c2ccc(C(=O)NNC(=O)c3cccc(Br)c3)cc2c1C 6662538 DLSPPGZHJDBTCT-UHFFFAOYSA-N 386.249 3.622 50 40 GHGB Cc1ccc(Cn2cc(/C=N/NC(=O)CC3(C)OCCO3)c3ccccc32)cc1 409372857 RPPRKHYIJWPBKZ-ZVHZXABRSA-N 391.471 3.601 50 40 GHGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409350454 TVFPTRSLTOKDEW-SSDVNMTOSA-N 382.351 3.556 50 40 GHGB C=CCc1cccc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1O 6189221 SHFUJRDCIKUFHH-ZVHZXABRSA-N 388.471 3.746 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1O 3573750 DXKIBOXTUASWAK-DJKKODMXSA-N 397.656 3.971 50 40 GHGB COc1cc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1 7572387 UWJUNFUUAPDMMF-GZTJUZNOSA-N 378.837 3.608 50 40 GHGB CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 100795857 DVGBXCWHXLIJFD-UWONZBIMSA-N 396.830 3.573 50 40 GHGB Cc1n[nH]c2c1[C@@H](c1cn(Cc3ccccc3)c3ccccc13)C(C#N)=C(N)O2 818732 DGRQEOVFQBEDNI-OAQYLSRUSA-N 381.439 3.939 50 40 GHGB CCCCn1c(O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(=O)c2ccccc21 2291120 BXWBIDFJWBOWTE-YDZHTSKRSA-N 397.862 3.925 50 40 GHGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2O)o1 408590491 PCPZPOGIRXEVEM-YDZHTSKRSA-N 386.411 3.910 50 40 GHGB C=CCc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCC(=O)O 408847599 NQRLEMQWXAQXKP-YBEGLDIGSA-N 389.411 3.828 50 40 GHGB COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1 28217306 DIJYZKFBYGCFEX-ZMOGYAJESA-N 395.434 3.771 50 40 GHGB O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1ccc(OC2CCCC2)cc1 252495589 OUBFQRCDXYIDDQ-SSDVNMTOSA-N 380.370 3.531 50 40 GHGB COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1ccc(C)cc1 1434329 WHBQIAGIVRRMLX-DEDYPNTBSA-N 391.265 3.685 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 107717635 MIZGSXMUNURQKQ-JMIUGGIZSA-N 398.306 3.666 50 40 GHGB Cc1ccccc1CSCC(=O)NN=C1CCN(Cc2ccccc2)CC1 409352937 ZPMIMBILRVGHDI-UHFFFAOYSA-N 381.545 3.996 50 40 GHGB COc1ccc(-c2n[nH]cc2/C=N/NC(=O)CCC2CCCCC2)cc1OC 6420359 FZDRGXQNXOZXOU-LPYMAVHISA-N 384.480 3.905 50 40 GHGB CCOc1cc(C(=O)N/N=C(\C)c2ccc(O)cc2)cc(OCC)c1OCC 4964878 UZXWLLOOUVBBGY-HYARGMPZSA-N 386.448 3.742 50 40 GHGB COc1ccccc1OCC(=O)N/N=C\c1cccn1-c1ccc(C)c(Cl)c1 409008746 DTIWXPUIIRJMLM-QRVIBDJDSA-N 397.862 3.977 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(N)=O)cc1 409191414 GWHDGSJUWHPANF-WYMPLXKRSA-N 394.862 3.610 50 40 GHGB Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)sc2ncnc(N)c12 408973966 RYDXOJWSLDQTKZ-IGCPIRJNSA-N 380.260 3.653 50 40 GHGB C[C@]1(CBr)[C@@H]2CC[C@@]1(C)C(=O)C2(Br)Br 33374168 UQWCFNOCILWLGO-XVYDVKMFSA-N 388.925 3.873 50 40 GHGB CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2322592 GXZXUSRMYTVSMH-GMQRBVGNSA-N 396.443 3.815 50 40 GHGB CCC[C@H](Br)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 20132807 SKEMMHIDPIUGFE-LBPRGKRZSA-N 398.326 3.635 50 40 GHGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)[C@@H]1COc2ccccc2O1 13617750 YAYLBVCSADUATD-SNINMWPCSA-N 382.803 3.890 50 40 GHGB O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1O 9886146 KSWSUXLVIAVZGN-JAIQZWGSSA-N 378.413 3.777 50 40 GHGB O=C(N/N=C/c1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 2744422 OPNRJXUROZYONN-CIAFOILYSA-N 396.244 3.691 50 40 GHGB C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)c1ccccc1N 100089829 DSDVTVVAHKMKMX-LSHDLFTRSA-N 379.247 3.710 50 40 GHGB CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2 4452922 OOPPRCZLTJZNDJ-LBPRGKRZSA-N 378.354 3.824 50 40 GHGB N#CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 408762976 CXQDEUDKEASFSV-UVTDQMKNSA-N 382.217 3.897 50 40 GHGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCC(=O)O 409047089 MXESCDBSRFUDIQ-VGOFMYFVSA-N 388.217 3.985 50 40 GHGB CCc1ccc(C(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)nc1 904037 XYLMXYUMDXMBRC-APKAHBCISA-N 389.411 3.620 50 40 GHGB COc1cc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)ccc1OC(C)C 4677656 HNYDVRJQOKOMAF-RGVLZGJSSA-N 384.461 3.698 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)cc1OC 7001597 WAIIWDPNSRPCRI-ZVHZXABRSA-N 389.411 3.528 50 40 GHGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC 8745280 UPAJRCDYUFXRKB-XNTDXEJSSA-N 393.848 3.704 50 40 GHGB Cc1c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)nn1-c1ccccc1 408893905 OHASUNSRNJZZNW-RGVLZGJSSA-N 383.795 3.506 50 40 GHGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N2C(=N1)SC(C#N)=C2N 135983787 XLSWZNJILOTYHX-GOSISDBHSA-N 387.468 3.710 50 40 GHGB N#Cc1ccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 3252802 VYHFFHIDYMUJNE-MFKUBSTISA-N 385.423 3.666 50 40 GHGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OC 5670076 UNPCAAFCHYQDFO-VCHYOVAHSA-N 378.226 3.622 50 40 GHGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(SC)cc3)[C@@H]2C1 4457875 DYNZTBKFWZKPBU-UXHICEINSA-N 389.528 3.544 50 40 GHGB CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@@H]2C1 5625484 MMCLSZOTVXTBKG-SOIKWTOOSA-N 388.471 3.934 50 40 GHGB O=C(CCCC(=O)NC1CCCCC1)N/N=C/c1cccc(Br)c1 4699459 YXTRYTVMMSMVHX-DEDYPNTBSA-N 394.313 3.518 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 1429116 XQTPLULRELQFRS-ZVHZXABRSA-N 391.402 3.851 50 40 GHGB Cc1nc2ccccn2c1C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl 12964883 KKOVIAJCMSASNK-UHFFFAOYSA-N 394.287 3.581 50 40 GHGB C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Cl 409138191 YRFLXASRRSAQOS-KRWDZBQOSA-N 387.222 3.929 50 40 GHGB CCCn1c(C)cc(C(=O)COC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1C 96797989 GWNJTDQZUOFXKC-PDGQHHTCSA-N 380.444 3.857 50 40 GHGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)OC)cc2C)c1C 408932142 UOTHNIWWDYEDBQ-MOSHPQCFSA-N 393.487 3.965 50 40 GHGB Cc1cccc(-n2ncc3c(NNC(=O)c4cccc(Cl)c4)ncnc32)c1 4355146 RPPBVCQJSQZVTL-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB O=C(N/N=C/c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 4525861 MIILSBDLKIKWSC-OEAKJJBVSA-N 377.375 3.707 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NC3CCCCC3)c2C)cc1 408891867 DKFNPXXHDIBGPV-IWIPYMOSSA-N 394.519 3.692 50 40 GHGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 33246942 QYBVVCNGJLGRRZ-IUXPMGMMSA-N 382.601 3.775 50 40 GHGB COc1ccc(Cl)cc1C(=O)N/N=C(/C)c1ccc(N2CCCC2=O)cc1 83813130 AGDIZJPZLMXCTP-XKZIYDEJSA-N 385.851 3.629 50 40 GHGB CCN(CC)c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 15979592 AJFXAKTZPJLPHS-ULJHMMPZSA-N 391.471 3.512 50 40 GHGB Cc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)cc1 12275058 JNKMZEXSXDWIGE-IIBYNOLFSA-N 380.444 3.777 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc3c2CCCC3)cc1 100522871 FMZJJSFZCVIGFV-BUVRLJJBSA-N 379.460 3.709 50 40 GHGB C/C(=N\NC(=O)c1ccc2c(c1)OCCO2)c1sc2nc(C)nc(C)c2c1C 42645241 WUNFBQGWVQLEGH-FSJBWODESA-N 396.472 3.542 50 40 GHGB CCOC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 8270803 PZZLAVIYGQTVOL-UHFFFAOYSA-N 387.486 3.980 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1O 19897964 LVZPWNMOHGSVDL-OEAKJJBVSA-N 377.444 3.962 50 40 GHGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)cc1 66255757 HAMNJDMGDRYKSC-AQTBWJFISA-N 379.435 3.770 50 40 GHGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCC(=O)O 408569763 PVBFKGMWAXDDPI-QPEQYQDCSA-N 381.363 3.628 50 40 GHGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 408727388 RPLXGJMQGLNVJB-AUEPDCJTSA-N 397.818 3.891 50 40 GHGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1csc(-c2ccsc2)n1 39994124 BKFLXORHMAECIK-UHFFFAOYSA-N 387.530 3.849 50 40 GHGB COc1ccc(C(=O)NNC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 674956 WWDASBACACDYMY-UHFFFAOYSA-N 390.848 3.647 50 40 GHGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 408959674 CYEPHQHZDJHKHK-SRZZPIQSSA-N 393.355 3.625 50 40 GHGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 408803425 OSKMQPZSMOCRGA-YODDIOPGSA-N 389.455 3.968 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C/C=C/c1ccc2c(c1)OCO2 4603761 AHDATDVUQCZAIL-QWYVLEEQSA-N 387.233 3.536 50 40 GHGB C=CCOc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408905097 SYANFMXWEXBOPM-MTJSOVHGSA-N 395.371 3.678 50 40 GHGB O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 408931895 RTIPGNZWCSTFRE-LFVJCYFKSA-N 398.422 3.730 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 408767064 VHGUERXTAXFMNI-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)O 33659184 JXCFQDCELGEURF-NSIKDUERSA-N 387.775 3.574 50 40 GHGB CCOc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(F)cc2)cc1OC 818313 AWDZGIYAWRVARF-GOSISDBHSA-N 399.447 3.533 50 40 GHGB COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1O 11990353 ZHSIAZVMGURQHQ-KEBDBYFISA-N 399.497 3.767 50 40 GHGB C[C@@H]1CCCC/C1=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 103311818 IFQNOMKXGVGUOA-PETKRDDUSA-N 391.518 3.845 50 40 GHGB N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc2c(c1)OCO2 17078044 OCKMXWCENXZGRD-XVNBXDOJSA-N 382.244 3.656 50 40 GHGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(Br)cc1 408837961 PWUVFAODUGZDQI-DJKKODMXSA-N 391.290 3.707 50 40 GHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(C(C)C)cc1 408909024 GCVAFWYQRYRCFP-KMUCBOENSA-N 381.476 3.618 50 40 GHGB O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@H]1COc2ccccc2O1 5603448 UVXAZGLTGDQINV-SGCYSOCQSA-N 388.423 3.556 50 40 GHGB O=C1[C@@H](Br)[C@@H]2CC(CBr)C[C@@H](C2)[C@H]1Br 4769741 NIGHUSUWVGGZII-RQOWMOBWSA-N 388.925 3.524 50 40 GHGB CCN(CC)CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2270907 HFTLLIBJXAPMTQ-DTQAZKPQSA-N 383.404 3.647 50 40 GHGB O=C(CSCCc1ccccc1)N/N=C/c1ccc(Br)cc1 408728022 USPYFEJJLLUMMR-XDHOZWIPSA-N 377.307 3.875 50 40 GHGB O=C(NNC(=O)[C@H]1CCCO1)c1ccc(CSc2ccc(Cl)cc2)cc1 12784880 QURCACBAEWDAOQ-QGZVFWFLSA-N 390.892 3.572 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 4544288 HJBPUUDYPUJHRY-WGOQTCKBSA-N 399.450 3.839 50 40 GHGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1 5634358 FRMNKVXBCTXGMH-NHDPSOOVSA-N 399.248 3.612 50 40 GHGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)c(OC)c1 408882602 RPICTPUVYDIMKQ-SFQUDFHCSA-N 395.459 3.510 50 40 GHGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(N)=O 408581194 UXVCZDHTRRQSOW-WUXMJOGZSA-N 377.227 3.930 50 40 GHGB CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)cc1 83261141 ZLDBJJXESUIZPH-UCQKPKSFSA-N 375.428 3.783 50 40 GHGB O=C1c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1Br 44830112 MUXSURUHFTXUED-CQSZACIVSA-N 389.205 3.592 50 40 GHGB CCn1c(SCC(=O)N/N=C(\C)c2cccs2)nnc1-c1ccc(C)cc1 1474321 HTXKKPXETXEQNA-XSFVSMFZSA-N 399.545 3.967 50 40 GHGB C[C@H]1CCCC/C1=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 103311820 IFQNOMKXGVGUOA-FDXCNZBMSA-N 391.518 3.845 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4Cl)ncnc32)cc1 1247085 JNBVBSXELULKHA-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)c(OC)c1OC 3389266 YAVAONRDESUIMB-OVMKCGGTSA-N 388.489 3.663 50 40 GHGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(F)ccc1Br 17158954 CDGJOJKZPXURRS-UHFFFAOYSA-N 395.272 3.566 50 40 GHGB CCCCOC(=O)c1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1 38487979 PIZIRQAAVCGLBE-UHFFFAOYSA-N 382.441 3.934 50 40 GHGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1 18054387 LBLUCPLIXRYPRX-INIZCTEOSA-N 392.430 3.650 50 40 GHGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OC 408533490 SOEREFSCWKOLLI-BHGWPJFGSA-N 395.381 3.675 50 40 GHGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(Cl)c1 409128480 IJOTVMCLTHKHQV-GDNBJRDFSA-N 385.826 3.861 50 40 GHGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Cl)c1OCC(=O)O 408691830 SPZRKRVGZLZUJQ-NSIKDUERSA-N 397.818 3.769 50 40 GHGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c1 409365063 PTXKAKBHTCNEIO-YDZHTSKRSA-N 376.412 3.954 50 40 GHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OC)c2)c(C#N)c1C 408547443 WXYFSRKAZOTLRE-OVCLIPMQSA-N 394.452 3.832 50 40 GHGB CCOc1ccc(N2CC(C#N)=C3c4cc(OC)c(OC)cc4CCN3C2)cc1 801716 WBUMHJSAUGBRFY-UHFFFAOYSA-N 391.471 3.673 50 40 GHGB N#Cc1ccc(OCC(=O)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cc1 33601323 ADBNXVMCMFQURV-GFPZRUSRSA-N 397.434 3.981 50 40 GHGB CSc1ccc(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 6511627 IOJMCNCIHCHKHM-DHZHZOJOSA-N 391.452 3.807 50 40 GHGB CC(C)(C)OC(=O)C(Br)(Br)CCBr 667357833 BLCHLBAWYXXIMF-UHFFFAOYSA-N 380.902 3.599 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 15147371 SQHCJXJNUVFVRT-FYJGNVAPSA-N 379.372 3.556 50 40 GHGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNc1cc(Cl)ccc1Cl 2048263 NALJDFZOTNPXHS-CQSZACIVSA-N 382.272 3.940 50 40 GHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1 6323799 OISNUQWNGPMOAP-QGZVFWFLSA-N 385.533 3.716 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Nc1cccc(C)c1 662818 QRGCZHQCWNXQHQ-AYPRBGQRSA-N 390.281 3.717 50 40 GHGB COc1cccc(NC(=O)CSSCC(=O)Nc2cccc(OC)c2)c1 1806507 YUBBXBNNYVOSBG-UHFFFAOYSA-N 392.502 3.662 50 40 GHGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccc(Br)c1 409022836 GNBNPMPVZBLAMT-UDWIEESQSA-N 384.233 3.709 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)cc1 58884320 NIFKYJGQNDDLPV-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB O=C1C[C@@]2(C[C@@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)C(=O)O1 103905077 MCPBDEMKBSKYSO-IWSPIJDZSA-N 384.857 3.682 50 40 GHGB COc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(C)o2)cc1 59401577 UFGDOUQWMACVPF-QGMBQPNBSA-N 397.294 3.743 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3F)c2C)cc1 408744710 ZNAGRGFNTUDPOD-ZMOGYAJESA-N 393.418 3.784 50 40 GHGB CCOC(=O)N/N=C(/C)c1ccc(-c2sc([N+](=O)[O-])cc2[N+](=O)[O-])s1 9380393 SWSPDZRPNXUWAI-AUWJEWJLSA-N 384.395 3.763 50 40 GHGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccs2)N2NC=C(C#N)C2=N1 9476658 FBRPJQXFMHSOCF-QGZVFWFLSA-N 395.875 3.995 50 40 GHGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCOC)c2C)cc1 7165279 KUYDCZJBQNBWQG-XMHGGMMESA-N 381.476 3.553 50 40 GHGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)cc1 6617414 GVJDBOSBDAKOTR-OEAKJJBVSA-N 377.444 3.962 50 40 GHGB Cc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1Br 674690 TYSWFNQZEPZLDB-UHFFFAOYSA-N 382.645 3.877 50 40 GHGB N#C/C(=C\c1ccccc1O)C(=O)Nc1ccccc1I 941185 UHTMDCGSLYTNBJ-FMIVXFBMSA-N 390.180 3.542 50 40 GHGB N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(I)cc1 408751731 BYRCUHGZUVNUGU-XFXZXTDPSA-N 392.171 3.976 50 40 GHGB Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1cc(O)cc(O)c1 13322509 DWNDPYFFDANOEY-YDZHTSKRSA-N 376.412 3.749 50 40 GHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(O[C@@H](C)C(=O)O)cc1 4703204 DCNBXWWNPKTTHA-MJOIQJIUSA-N 386.411 3.547 50 40 GHGB O=C(NNc1ncnc2c1cnn2-c1cccc(Cl)c1)c1ccc(Cl)cc1 7393234 IUZZWNITBOFMJZ-UHFFFAOYSA-N 399.241 3.879 50 40 GHGB COc1ccc2cc(/C=N/NC(=O)[C@@H](OC)c3ccccc3)c(Cl)nc2c1 408728088 HRVJQMHDSKXFGU-YPKZHZFPSA-N 383.835 3.735 50 40 GHGB O=C(COC(=O)c1c(F)cccc1F)NN=C(c1ccccc1)c1ccccc1 7982867 NXXZYNXKDPHXLK-UHFFFAOYSA-N 394.377 3.690 50 40 GHGB COc1ccccc1NC(=O)C/C(C)=N/NC(=O)C12CC3CC(CC(C3)C1)C2 100295332 KVSPUXRRYYLQLI-ZVHZXABRSA-N 383.492 3.732 50 40 GHGB CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 105581872 IVMBCXBUHPXVCV-BGOWSKCLSA-N 389.279 3.842 50 40 GHGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1 5164672 HANQECBSKZMEHQ-GOSISDBHSA-N 388.427 3.702 50 40 GHGB CC(C)(C)c1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccccc2)cc1 4355132 YRTRKYXYTVJNCD-UHFFFAOYSA-N 386.459 3.870 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccc(Cl)cc4)ncnc32)c(C)c1 7393270 ASNZNKNRMILOQG-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB O=C(N/N=C/c1ccccn1)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 9324623 BSSJZUDRJNONBQ-MFKUBSTISA-N 397.438 3.815 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 5743694 AZUFWKIVSCPTHT-SRZZPIQSSA-N 377.227 3.778 50 40 GHGB CCN1C(=O)/C(=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 5456064 GJVRIWJDRNOKOT-JVZWFSMOSA-N 389.499 3.975 50 40 GHGB C/C(=N\NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(C)cc1 5578632 YVACVVJUIPVSML-HAVVHWLPSA-N 394.475 3.656 50 40 GHGB C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCCl)cc23)c1 34891905 DBLVDARHJKFUSK-UHFFFAOYSA-N 397.862 3.998 50 40 GHGB in-vitro O=C(O)CC/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 4860228 FBTHZLDZGLIFFG-RCCKNPSSSA-N 395.242 3.758 50 40 GHGB CC/C(=N\NC(=O)COc1cccc(Br)c1)c1cc(F)ccc1O 58219025 BEQXTQDGXDWAIT-HMMYKYKNSA-N 395.228 3.603 50 40 GHGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 2213756 IYZRKMBGNIXAHX-GOSISDBHSA-N 393.830 3.670 50 40 GHGB CCCCCC(=O)N/N=C/c1cc(C)c(O)c(/C=N/NC(=O)CCCCC)c1 4154818 ZSDVVOYYXYMZHR-HOFJZWJUSA-N 388.512 3.761 50 40 GHGB N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccncc2)cc1 409162353 UQVXRMGGBOREOR-DHRITJCHSA-N 390.830 3.950 50 40 GHGB COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1O 37020474 DAJQFIODCVUGRO-OCKHKDLRSA-N 397.656 3.510 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1OC 16789642 VOXJKFXEOLPDMN-UUYOSTAYSA-N 398.850 3.901 50 40 GHGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17080844 YDIYWMZITSBOND-IAGOWNOFSA-N 395.459 3.669 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccccn1 7386652 PUSYXWOLVJYGNC-PCLIKHOPSA-N 387.487 3.853 50 40 GHGB COc1ccc(C(=O)NN[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 3322252 VEWMJKOZEVQLKI-NRFANRHFSA-N 389.455 3.618 50 40 GHGB Cc1cccc(C(=O)NNc2ncnc3c2cnn3-c2cc(Cl)ccc2C)c1 17122659 WNKJVCGUVOCVIV-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB O=C(N/N=C/c1cccnc1)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 9088467 SBBLVHZOCKGVNP-MFKUBSTISA-N 397.438 3.815 50 40 GHGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)O 409047188 NOMKZSAIEYBAON-GHXNOFRVSA-N 390.317 3.958 50 40 GHGB NNC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226340236 WYCAUHMUFVUELI-UHFFFAOYSA-N 390.064 3.938 50 40 GHGB Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccccc2)=C1C#N 9353736 LHCNSFGQAGHTKT-KRWDZBQOSA-N 377.469 3.706 50 40 GHGB C[C@H](/C=N/NC(=O)CCCC(=O)N/N=C/[C@H](C)c1ccccc1)c1ccccc1 17080197 CPLHSRCCROIMLY-AIKFECOJSA-N 392.503 3.968 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 3139177 YLVZNXDRNIMXSM-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB Cc1ccc(NC(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 4795134 VCPIMZCHPGGFRG-ZVBGSRNCSA-N 379.247 3.574 50 40 GHGB COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 33338453 FAJKCMJCURJYDK-HAHDFKILSA-N 389.411 3.886 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)o2)c1C 408592524 YYEOUIKVJFDDQB-SRZZPIQSSA-N 396.403 3.676 50 40 GHGB Cc1cccc(NC(=O)CSCC(=O)NNc2ccccc2C(F)(F)F)c1 45480787 ITYMQBWICGDYGF-UHFFFAOYSA-N 397.422 3.829 50 40 GHGB COc1ccc(CCCC(=O)N/N=C/c2ccc(Br)o2)c(C)c1 408909690 HVANIBSLAHCZNS-YBFXNURJSA-N 379.254 3.832 50 40 GHGB COc1ccc(OC)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1 408904769 OICLEPLOYCVNDQ-GRSHGNNSSA-N 392.253 3.930 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(OCC)c2)cc1 7164938 FFGFAEMDYDQEKK-LFIBNONCSA-N 380.400 3.513 50 40 GHGB O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@@H]1COc2ccccc2O1 5603446 UVXAZGLTGDQINV-YQNSVDCASA-N 388.423 3.556 50 40 GHGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1O 100932840 NCCLMCFOYFLBKT-YEKHUIDHSA-N 395.297 3.830 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OC 657412 HMQGDZOJXMGCAQ-DJKKODMXSA-N 397.656 3.884 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(OCC)c1 409359257 AUWYJTLZSXORSB-WSDLNYQXSA-N 375.856 3.700 50 40 GHGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1ccc(Cl)cc1 4546346 UXEIMBXQCOGMCL-FOKLQQMPSA-N 399.907 3.780 50 40 GHGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC 4735364 OHVNFFURPPDMIL-UDWIEESQSA-N 391.265 3.549 50 40 GHGB O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 4865504 NPJZQQHVTFUDAK-NFECSFHCSA-N 389.502 3.621 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)n1 408831045 PIPWYTCYYTXLPP-SSDVNMTOSA-N 376.485 3.588 50 40 GHGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccccc2)cc1 408729063 XHPQFQKENQGIFC-ZVHZXABRSA-N 388.423 3.687 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Cl)c1 408852800 NPXVEZBRTMOXBL-DHDCSXOGSA-N 384.819 3.911 50 40 GHGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 4505290 UUENMZAYQAVPIM-XIHJABAGSA-N 394.471 3.701 50 40 GHGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(F)cc2)o1 7003886 SJQGJPIIEDYZBK-YDZHTSKRSA-N 380.375 3.550 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 9526127 GHECHCGBMCGEEV-FSJBWODESA-N 397.862 3.930 50 40 GHGB CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)c2ccc(F)cc2Br)C1(C)C 84671060 PYMUPPBUUPZHOX-GXTWGEPZSA-N 383.261 3.588 50 40 GHGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Cl 409331788 HYZOPFNWCCEBMI-XKZIYDEJSA-N 386.835 3.523 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)SCCS1 1105583 VEFWRYVOFSNMCU-YBFXNURJSA-N 390.486 3.681 50 40 GHGB Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(Cl)cc2)C1=O 1790273 DMJZOKDNRFSWKS-IMGOXIFKSA-N 397.887 3.560 50 40 GHGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc2ncsc2c1 12799773 BCUCLMHYFVEAMH-UHFFFAOYSA-N 377.878 3.503 50 40 GHGB C/C(=N\NC(=O)c1cccc(O)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1 15933793 RCPMKGXFUHBLMH-AFUMVMLFSA-N 391.402 3.938 50 40 GHGB CCn1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21 408566357 FXVDRTVIYDCQAT-KEBDBYFISA-N 386.249 3.893 50 40 GHGB N#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408791864 DMNOZPHQTVEANF-SDNWHVSQSA-N 382.217 3.897 50 40 GHGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)o1 1453693 KWQCABMTWUWCNS-DHZHZOJOSA-N 378.169 3.738 50 40 GHGB CC[C@@H]1CN/C(=N\c2ccc(/C(C)=N/NC(=O)c3ccccc3O)cc2)S1 7977976 VKVWXUHDSAEKJE-DXRSZSRVSA-N 382.489 3.649 50 40 GHGB Cc1cc(C(=O)NNC(=O)/C=C/c2ccc(F)cc2)c(C)n1-c1ccccc1 8027221 SSEPIGSLOJJZNB-JLHYYAGUSA-N 377.419 3.708 50 40 GHGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C1/C(=O)Nc2ccccc21 6133552 CRJWSYJXROVXPK-UHFFFAOYSA-N 392.242 3.625 50 40 GHGB CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(OC)c3)[nH]n2)cc1 8972424 VNDMVUWCLNNQEH-HYARGMPZSA-N 378.432 3.638 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(OC)cc2)o1 409263914 IOLXADXAYMDOBE-LPYMAVHISA-N 378.384 3.506 50 40 GHGB O=C(COc1cccc(Br)c1)N/N=C\c1cccn1-c1ccccc1 408844254 HNBLAVPRDOASPF-BKUYFWCQSA-N 398.260 3.769 50 40 GHGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1cc2ccccc2cc1O 408883638 VHDCTJAIDKHSMI-SSDVNMTOSA-N 378.453 3.804 50 40 GHGB CCOc1ccc2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)nc2c1 821739 PSFJERCRDQHBKO-SRZZPIQSSA-N 398.806 3.959 50 40 GHGB CCOc1ccc(NC(=O)C(=O)N/N=C(/C)c2ccc3ccccc3c2)cc1 6351286 BZCAVNPPEZCKQQ-IWIPYMOSSA-N 375.428 3.717 50 40 GHGB C=CCNC(=S)NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2451967 LNNVMILTWYGRCC-UHFFFAOYSA-N 391.581 3.601 50 40 GHGB O=C(CCCCC(=O)N/N=C\[C@@H]1C[C@@H]2CC[C@@H]1C2)N/N=C\[C@H]1C[C@@H]2CC[C@@H]1C2 102248933 BSLBPCGUEKNUFS-RJPFNZFHSA-N 386.540 3.623 50 40 GHGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3OC)o2)c1 5953274 CXCDWPIXJWYMRS-OEAKJJBVSA-N 392.411 3.896 50 40 GHGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(I)cc2)o1 408854103 XQSLZLXOSJOQLU-XFXZXTDPSA-N 392.196 3.546 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccccc1Cl 5483283 SQAQXOIPZSJEKP-INIZCTEOSA-N 392.802 3.677 50 40 GHGB Cc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 2441321 IEXKIUMZKGMURX-IBGZPJMESA-N 389.480 3.793 50 40 GHGB Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)OC(CCl)CCl)[C@H]3C=C[C@H]2C3)cc1 101657588 CKRBMAIGKLWNGT-PYTWLRIVSA-N 382.287 3.761 50 40 GHGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1 58882827 AXQVWKQIUVJHBV-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)c(OCCC)c1 3226212 ROZWWURMEMIGJK-ZVHZXABRSA-N 387.455 3.966 50 40 GHGB C/C(=N/NC(=O)COc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CC2)cc1 17081797 UZOBADVFYPYRAQ-OYKKKHCWSA-N 399.878 3.916 50 40 GHGB COc1cc(/C=C(/C#N)C(N)=S)cc(Cl)c1OCc1ccccc1C#N 33793682 FFCZTMHKYHODQK-UUASQNMZSA-N 383.860 3.992 50 40 GHGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 83312892 WJFAQQUUUXAKAU-NVMNQCDNSA-N 388.177 3.867 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)ccc1C 3136608 ITIHHEJXIAMFOP-KEBDBYFISA-N 391.265 3.604 50 40 GHGB CCc1ccc(C(=O)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1 12740098 ASQWLBAGNFWPTR-UHFFFAOYSA-N 394.500 3.823 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 13563404 ZBWNUQXRRTXLDD-FBKQIBBUSA-N 378.453 3.676 50 40 GHGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 100839965 YCLHUAGEAMXJMM-PTNGSMBKSA-N 396.497 3.743 50 40 GHGB Cc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1 3234496 OEERGFCLDPQQQF-FOKLQQMPSA-N 379.391 3.726 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(OC)cc2OC)cc1 408744206 JOXYBCCHSBTVNZ-ZROIWOOFSA-N 397.387 3.556 50 40 GHGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 16807743 RDTDZFCSCVOIQG-OASCQKGGSA-N 380.680 3.517 50 40 GHGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 408810463 KRNKMZBSUWPVAP-UYRXBGFRSA-N 392.455 3.882 50 40 GHGB N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1c1ccccc1F 12275079 SPDYSNODSHXRCU-YWZLYKJASA-N 384.407 3.608 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@@H]1c1ccc2c(c1)OCO2 985817 QKOKAXYTWVADCI-MRXNPFEDSA-N 392.802 3.677 50 40 GHGB COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1ccc(N2CCCC2=O)cc1 19324211 AGDIZJPZLMXCTP-LPYMAVHISA-N 385.851 3.629 50 40 GHGB O=C(CSc1ccc2ccccc2n1)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 1869294 ZVYITBUGMPXPHK-GRKKMJAJSA-N 382.401 3.644 50 40 GHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12 408915389 ZZHVJUVXWPPWNK-DOZBRYHWSA-N 389.455 3.647 50 40 GHGB CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21 409126323 OLTGDQHVHPWMAG-QGZVFWFLSA-N 387.233 3.772 50 40 GHGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1O 4680150 FWUVZPYSGFVHDX-JJIBRWJFSA-N 387.439 3.987 50 40 GHGB CCc1ccc(CC(=O)N/N=C\c2ccc(N(C)C)c(Br)c2)cc1 409366201 YUPBFCWBLFJEJM-BKUYFWCQSA-N 388.309 3.770 50 40 GHGB CCn1ncc(/C=N/NC(=O)c2ccc(COc3ccc(F)cc3)cc2)c1F 252496713 PPPGJXPHFKOAML-FOKLQQMPSA-N 384.386 3.524 50 40 GHGB O=C(Cl)[C@]1(Br)CC2c3ccccc3C1([N+](=O)[O-])c1ccccc12 5124858 BFGFQYUKWJLAGS-PTXATLKXSA-N 392.636 3.955 50 40 GHGB COc1ccc(OCC(=O)N/N=C/C(C)=C/c2ccco2)c(Br)c1 4526365 KCBIYPQAGPBICE-BODUPIQHSA-N 393.237 3.635 50 40 GHGB CSC(=O)N/N=C(C(=N/NC(=O)SC)/c1ccccc1)\c1ccccc1 5527643 UHLABKJBPWGKDR-MXWIWYRXSA-N 386.502 3.940 50 40 GHGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)OC(C)C)cc1 6836258 DGKSXHDJJVBOOQ-XDHOZWIPSA-N 379.412 3.911 50 40 GHGB C/C(=N/NC(=O)CNC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1 5025088 CFALMBHBABABNG-QRVIBDJDSA-N 392.286 3.583 50 40 GHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)Cc1cccc2ccccc12 5488150 SUUYHPCSZNGZCO-BUVRLJJBSA-N 384.439 3.732 50 40 GHGB CC[C@@H](C)/C(C)=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 4865416 BMQCZEIESKMGDN-SLDGYZHNSA-N 379.507 3.701 50 40 GHGB CCc1ccc(CCOc2ccc(C[C@H](Br)C(=O)OC)cc2)nc1 35932162 CJQRUDWOZDEKKO-SFHVURJKSA-N 392.293 3.745 50 40 GHGB O=C(N/N=C/c1ccc(N2CCCC2)cc1F)c1ccc(N2CCCC2)cc1 7386860 IANMXOCGVHAOHX-LFVJCYFKSA-N 380.467 3.790 50 40 GHGB COc1cc(-c2nc3cc(NC(=O)CSC#N)ccc3o2)cc(OC)c1OC 226328093 PNKLDTNJUDOCCA-UHFFFAOYSA-N 399.428 3.673 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc3ccccc3c2)cc1[N+](=O)[O-] 13282654 NOBXFXRDVFQESU-OEAKJJBVSA-N 392.415 3.709 50 40 GHGB CC1(C)CC(=O)C/C(=N\NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)C1 100008759 QMVZPQBEXCUEEI-WSDLNYQXSA-N 398.290 3.964 50 40 GHGB O=C(NN(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 4726659 WAYFOTFOVQITEU-UHFFFAOYSA-N 378.344 3.986 50 40 GHGB COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)c1C 10406887 YNRIXSWLKYDBSV-LFIBNONCSA-N 380.473 3.907 50 40 GHGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc2ccccc2o1 693879 RZLAKUPDZHXCCR-UFWORHAWSA-N 387.189 3.688 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)nc1 1097172 ODKRATBXYZQTTM-BRJLIKDPSA-N 375.407 3.572 50 40 GHGB O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 45438639 DFHXKRMEAVIXCI-IRXDYDNUSA-N 393.409 3.834 50 40 GHGB Cc1cccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1C 3202387 ZIIVSLJBFIJZNC-FSJBWODESA-N 396.878 3.980 50 40 GHGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1 18054385 LBLUCPLIXRYPRX-MRXNPFEDSA-N 392.430 3.650 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408799449 ZETURZYCZUNQCN-RVDMUPIBSA-N 384.819 3.828 50 40 GHGB CN(C)c1cccc(OCC(=O)N/N=C\c2cccn2-c2ccc(Cl)cc2)c1 408854451 FZRFLGDXABJDIC-UCQKPKSFSA-N 396.878 3.726 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)cc1[N+](=O)[O-] 5638709 XVGUEFJSVKYAAL-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB C/C(CC(=O)Nc1ccccc1F)=N\NC(=O)c1ccc2ccccc2c1O 100089957 PNFQMQADMPMNCL-ZMOGYAJESA-N 379.391 3.819 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)cc1 59960069 IQHCTGWPGFSVCI-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB COc1ccc(C(=O)/C(C#N)=C\c2cc(Br)c(O)c(OC)c2)cc1 33466944 OTXXIJAGWIHUAY-QPEQYQDCSA-N 388.217 3.962 50 40 GHGB Cc1cccc(OCC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c1C 989450 ZCABXLWSDPSYLE-LPYMAVHISA-N 392.415 3.531 50 40 GHGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1 1453893 WHMBLEALBGXBIS-LFIBNONCSA-N 394.427 3.815 50 40 GHGB O=C(NNC(=O)c1ccccc1Cc1ccccc1)c1ccc2ccccc2n1 70016545 IYOLOVZRMAVDJF-UHFFFAOYSA-N 381.435 3.900 50 40 GHGB N#C/C(C(N)=O)=C1\Oc2c(cc(O)cc2-c2cccc(C(F)(F)F)c2)S1 13595746 XFGPKOXPBJOONA-VBKFSLOCSA-N 378.331 3.783 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C2\C(=O)N(C)c3ccc(Br)cc32)cc1 409112230 KWDNMCMEYPNBAB-ICFOKQHNSA-N 396.244 3.650 50 40 GHGB Cc1ccsc1[C@H]1CC(=O)NC(SCC(=O)OCc2ccccc2)=C1C#N 8972531 NJCQCDHOIYSPKJ-HNNXBMFYSA-N 398.509 3.872 50 40 GHGB Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 40137440 RMHOBXFVCUMDRI-LVWGJNHUSA-N 399.450 3.555 50 40 GHGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCC)c(OC)c2)cc1 10475982 RVKFIDLRCIANHH-LPYMAVHISA-N 390.867 3.839 50 40 GHGB C[C@H](NC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 58914412 JNYOASATODCDAI-LTOJSDLTSA-N 395.846 3.928 50 40 GHGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Cl)cc1Cl 408605153 KSFOQMPMCNSBFE-ZDUSSCGKSA-N 395.271 3.551 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3cccc3)cc2)c(O)c1 5177501 UMXIYOFSPWFVTB-XQNSMLJCSA-N 376.460 3.793 50 40 GHGB C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 4738862 GVKYERXJRVQTPH-BUVRLJJBSA-N 388.423 3.946 50 40 GHGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4703519 FOGHPHGUPDSLQA-REZTVBANSA-N 383.147 3.574 50 40 GHGB CC(C)COc1ccccc1/C=N\NC(=O)c1cc(Br)ccc1O 408601230 JFVXJSBSWBKLEH-JMIUGGIZSA-N 391.265 3.953 50 40 GHGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1C 409234352 ZNHJDGBRMOUSMO-UYRXBGFRSA-N 391.471 3.694 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccccc1[N+](=O)[O-] 408598593 FFEDMTBJVYSBCP-KEBDBYFISA-N 398.306 3.666 50 40 GHGB N#CC1=CN(c2ccc(Br)cc2)c2cc(F)ccc2S1(=O)=O 44167138 HIIOJASJQLSLSA-UHFFFAOYSA-N 379.210 3.879 50 40 GHGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSc3ncccn3)c2C)c1 862411 WPZXZJSXVSEYKS-WYMPLXKRSA-N 393.516 3.743 50 40 GHGB CCN(CC)c1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(C(C)C)cc32)cc1 6146874 SESANEVEQZHOOI-UHFFFAOYSA-N 378.476 3.742 50 40 GHGB CCCCCCOc1ccc(C(=O)NNC(=O)c2c(F)cccc2F)cc1 32904319 KLNAVCOUGJHWQG-UHFFFAOYSA-N 376.403 3.999 50 40 GHGB N#CC1=C2SC[C@@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1c1ccc(F)cc1 12275004 KNNYLKORHSIVRB-OXJNMPFZSA-N 384.407 3.608 50 40 GHGB COc1ccccc1[C@H]1CC(=O)N2C(=C1C#N)SC[C@]2(O)c1ccc(C)cc1 12275559 RMFKKZWNVMFQOR-VGSWGCGISA-N 392.480 3.647 50 40 GHGB CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1 4677635 PUIXYMKSKOYGFX-HYARGMPZSA-N 378.432 3.725 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCCC1 15224598 XDALHKXNDJJNQN-LFVJCYFKSA-N 393.487 3.555 50 40 GHGB COc1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 5488973 ZVFOQQHHBBYRSX-PTNGSMBKSA-N 378.837 3.608 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2cccc(F)c2)nnc1-c1ccc(C)cc1 1474290 ACQGJQGEGQPUSN-WSDLNYQXSA-N 397.479 3.655 50 40 GHGB N#Cc1ccccc1Cn1cc(/C=N\NC(=O)c2cccnc2)c2ccccc21 108255151 PZXIXBFUIAHMOV-WGARJPEWSA-N 379.423 3.720 50 40 GHGB Cc1cccc(OCC(=O)N/N=C/c2c(C)nn(Cc3ccccc3)c2Cl)c1 6839427 PTLPSKGXHDPCHB-FSJBWODESA-N 396.878 3.731 50 40 GHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C 408586012 AJCWZYPQXUYFKO-FSJBWODESA-N 375.428 3.895 50 40 GHGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OC 409315933 OZKOIFDJJUPLRS-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 408961454 CIUHHTTXBUJDCI-QGMBQPNBSA-N 388.723 3.667 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2ccc(F)cc2F)c(C)n1-c1ccc(F)cc1 17444654 MVBZLCHZJDJEMN-UHFFFAOYSA-N 387.361 3.586 50 40 GHGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OC)c(OCC)c1 6355408 JGLTWYNLNCLPLW-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(Br)o1 4525808 BWUHBYBWUUMIAC-UHFFFAOYSA-N 399.653 3.985 50 40 GHGB Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444729 HEQOQFQLPLECRM-LPYMAVHISA-N 393.468 3.724 50 40 GHGB O=C(NNC(=O)c1cccnc1Sc1ccc(Cl)cc1)c1ccccc1O 25323280 VUFYZKBBYKHURH-UHFFFAOYSA-N 399.859 3.667 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2ccccc2CSc2nc(C)cs2)n1 24746631 BPNQZRUPASHLOR-UHFFFAOYSA-N 385.518 3.908 50 40 GHGB CN(NC(=O)Nc1cccc(C(F)(F)F)c1)c1c(Cl)c(Cl)nn1C 1390833 CDDFJYGUWSNGOV-UHFFFAOYSA-N 382.173 3.919 50 40 GHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(O)c1 408792614 BGPNLWUUGORXHT-SFQUDFHCSA-N 393.443 3.571 50 40 GHGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 409076093 XRZMWJUWTJTFSS-NKVSQWTQSA-N 385.729 3.960 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)o1 409248402 KCNQSZQPDAYHMQ-QRVIBDJDSA-N 380.375 3.565 50 40 GHGB Cc1cc(C)n([C@@H](CCl)CN(Cc2cc(C)on2)Cc2cc(C)on2)n1 69591533 GEGJVVHIUBUSHD-SFHVURJKSA-N 377.876 3.575 50 40 GHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408794123 HOFBLTCMVZYUHP-LFIBNONCSA-N 394.814 3.684 50 40 GHGB CCOC(=O)COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC 15009244 DDNHJFHCZITENI-XNTDXEJSSA-N 377.400 3.578 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCCCC1 58914490 OGTQYQBXZXDOFM-NHDPSOOVSA-N 394.258 3.716 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)OCCO1 59426539 RCTWHARLOHRYGN-LPYMAVHISA-N 388.851 3.522 50 40 GHGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CN2CCOCC2)cc1 23382882 CHRQDMZLIDLCNH-NCELDCMTSA-N 393.531 3.992 50 40 GHGB C/C(=N\NC(=O)CCc1ccccc1)c1cccc(I)c1 409111602 CYFBMKOKYUMQQD-CPNJWEJPSA-N 392.240 3.764 50 40 GHGB O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccc(Cl)cc1 7393240 FWQNOKBAABQFSJ-UHFFFAOYSA-N 399.241 3.879 50 40 GHGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C(C)C)cc3)CC2=O)cc1 409161590 WDRVVQGVXRYNRP-CFKHXJFWSA-N 377.488 3.876 50 40 GHGB Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2Cl)S/C1=C(/C#N)C(N)=O 2194720 HSEXCZWMAYAGHB-PNWWAVQQSA-N 397.887 3.560 50 40 GHGB Cc1ccc(NC(=O)N(CCCl)N=O)cc1NC(=O)N(CCCl)N=O 5031173 VUVZSBPMOHFBPB-UHFFFAOYSA-N 391.215 3.503 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)cc1OC 408765456 PTGLQBYDOOVSOW-RGVLZGJSSA-N 391.265 3.929 50 40 GHGB N#C/C(=C/c1cc(Br)ccc1O)C(=O)NCCCc1ccccc1 409246829 FAKSSRZQJSSECU-WJDWOHSUSA-N 385.261 3.811 50 40 GHGB CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OC 36144848 OHVNFFURPPDMIL-NDENLUEZSA-N 391.265 3.549 50 40 GHGB C=CCc1cccc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1O 6189276 ACPHVAAEDNBQGU-ZVHZXABRSA-N 388.471 3.746 50 40 GHGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(N2CCCC2)cc1 7386820 XBLSWJBIDBGPPT-LFVJCYFKSA-N 380.467 3.790 50 40 GHGB COc1ccccc1[C@@H]1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N 20238159 PIOHPNGXRDIONC-SFHVURJKSA-N 391.496 3.910 50 40 GHGB O=C(OC(CCl)CCl)[C@@H]1CC[C@@H](Br)[C@H](Br)C1 100934400 YFZSLAKWTLZICE-FTLITQJKSA-N 396.934 3.703 50 40 GHGB N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1c1cccc(F)c1 12275384 BETHEISNZHZPTK-JXFKEZNVSA-N 384.407 3.608 50 40 GHGB CC(=O)Nc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)cc1 408994211 HHPSDAKZQZHHIS-IWIPYMOSSA-N 388.471 3.745 50 40 GHGB CCN(Cc1cccs1)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2 9532458 XPSRDFRJMOEXDP-LBPRGKRZSA-N 377.535 3.811 50 40 GHGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3c(Cl)cccc3Cl)CC2=O)cc1 409263392 JADJPIKLDHRLNJ-YWIKJMDGSA-N 390.270 3.805 50 40 GHGB COc1ccc(C2=NN(C(=O)CCl)[C@@H](c3cccc(OC)c3OC)C2)cc1 4524902 CALVCCFLARCGNI-QGZVFWFLSA-N 388.851 3.629 50 40 GHGB NNC(=O)c1ccc2[nH]c(-c3cccc4c(Br)cccc34)nc2c1 226236718 QOYAIAXFVCBKRE-UHFFFAOYSA-N 381.233 3.749 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)n1 14185908 RMLUGCKLJPGMFZ-WSDLNYQXSA-N 393.516 3.743 50 40 GHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1 840379 RDXPQAGCXJDKBS-SECBINFHSA-N 387.650 3.875 50 40 GHGB O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)Nc1ccccc1 6831119 NOGOWBXTLGPXQH-UHFFFAOYSA-N 383.411 3.763 50 40 GHGB COc1ccc(OCC(=O)N/N=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1 409009424 FOURRQNFQJYRBN-QRVIBDJDSA-N 397.862 3.977 50 40 GHGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC 5489141 GEWVNWDYQPYIKB-SFHVURJKSA-N 388.427 3.702 50 40 GHGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccc([N+](=O)[O-])cc1 35169433 RKDSKFUAWFGEKV-OQLLNIDSSA-N 383.429 3.766 50 40 GHGB CCCCCCCCS(=O)(=O)C[C@H](Br)CBr 100241617 GWVDGGHTPSHRKD-LLVKDONJSA-N 378.170 3.920 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1 30822061 PSFVLTBJMRTPJJ-OYKKKHCWSA-N 392.386 3.817 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)n1 22509172 TXPLKKVZTVZIBO-UHFFFAOYSA-N 384.509 3.769 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)cc3)n[nH]2)cc1 1856719 YQRBDZAIVYHUSB-LPYMAVHISA-N 378.432 3.636 50 40 GHGB COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(F)c2F)c1C 10408460 YIPDTAZGLIVSGB-NTEUORMPSA-N 377.366 3.714 50 40 GHGB O=C(Cc1ccccc1)NNC(=O)c1ccccc1OCc1ccc(Cl)cc1 12923984 GYYNJFKFYKBMIS-UHFFFAOYSA-N 394.858 3.923 50 40 GHGB C/C(=N/NC(=O)CCC(=O)N/N=C(\C)c1cc(C)cs1)c1cc(C)cs1 4360691 LNWDZQYASXHGNJ-LRVMPXQBSA-N 390.534 3.587 50 40 GHGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OC 408896022 OXCGMDLMOHTYBR-XYOKQWHBSA-N 387.779 3.811 50 40 GHGB COc1ccc2cc(/C=N/NC(=O)COc3ccccc3C)c(Cl)nc2c1 408837214 AEIBYMHTOKASRH-SSDVNMTOSA-N 383.835 3.734 50 40 GHGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1 409143698 DJJVARIECKBJQQ-OALUTQOASA-N 392.480 3.666 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OC 8079071 WMTURISBPVZGLN-RQZCQDPDSA-N 383.267 3.682 50 40 GHGB COc1ccccc1[C@H]1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N 20238162 PIOHPNGXRDIONC-GOSISDBHSA-N 391.496 3.910 50 40 GHGB Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)c1 3139131 LNFYAWTUDSLPDY-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB CC(C)(O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 32578407 IHHHMCGUSMNMJI-UFFVCSGVSA-N 381.259 3.793 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OC 6959064 SEIMRVCGFUWJOT-GIJQJNRQSA-N 381.226 3.522 50 40 GHGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1 12275696 ZXKZCHSBYPNYMP-PGRDOPGGSA-N 392.480 3.647 50 40 GHGB C/C(N)=C(\C#N)C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 104815494 NHPCSZMMDGJRDL-FLIBITNWSA-N 382.923 3.734 50 40 GHGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1052611 AIVADKIZASZNSF-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H](O)c1ccccc1 4937345 GIKVDVNBURPYIT-PGNNWUFWSA-N 399.790 3.692 50 40 GHGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409236499 SJGCTEOZRCNUOR-PGMHBOJBSA-N 388.467 3.753 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)n1 40145251 UMYSXOOIKIWYAB-UHFFFAOYSA-N 393.495 3.536 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4cccs4)ncnc32)cc1Cl 17120927 WILUBJMFERCIMT-UHFFFAOYSA-N 384.852 3.596 50 40 GHGB Cc1c(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)oc2c1C(=O)CC(C)(C)C2 40115817 CWIZQTYKRDICDU-UHFFFAOYSA-N 398.459 3.605 50 40 GHGB COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc(OC)c1OC 3284828 YKGQCEGDORWJTN-FSJBWODESA-N 398.390 3.875 50 40 GHGB N#CC1=C(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)S[C@H]2CCC[C@@H]12 5025209 PVAGENFGYOHXRV-GUYCJALGSA-N 384.461 3.575 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3cccs3)o2)cc1 5135381 CZHDTPCFZZXUSR-FYJGNVAPSA-N 382.441 3.878 50 40 GHGB COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccco2)cc1 409219318 PLRDXAUOFHZMKK-UUYOSTAYSA-N 398.802 3.925 50 40 GHGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409013019 SICBBFPZQISEOW-KEBDBYFISA-N 391.811 3.696 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(SCCO)c([N+](=O)[O-])c2)c(C)c1 32124911 WTJORAQUUPMSHS-YBEGLDIGSA-N 397.456 3.842 50 40 GHGB O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1ccc([N+](=O)[O-])cc1 253616963 HMCBCQPLCJLVAK-UHFFFAOYSA-N 390.443 3.969 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)cc1OCC 5130141 QDYWZHJNFXMDMN-WXUSHSQQSA-N 387.505 3.900 50 40 GHGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1O[C@@H](C)C(=O)O 4539094 KJADBPHRWFKERO-GRRFOWRYSA-N 377.400 3.796 50 40 GHGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccccc1Cl 1433713 WABYCFSJYUEMBD-DJKKODMXSA-N 397.656 3.640 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(F)cc1 1427511 BCBKSDXMWLQZDV-KEBDBYFISA-N 395.228 3.516 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 13563403 ZBWNUQXRRTXLDD-CIJMEZBMSA-N 378.453 3.676 50 40 GHGB COC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)c1ccc(-c2ccccc2)cc1 59489078 XINBHKBEUDAQBD-NKFKGCMQSA-N 380.444 3.618 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1cc(Cc2ccccc2Cl)ccc1O 989795 TWJWDDFHESSPIP-ZMOGYAJESA-N 379.847 3.983 50 40 GHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc(Cl)ccc1O 5749062 PAMUFMMOTUTXSV-UFFVCSGVSA-N 389.242 3.957 50 40 GHGB O=C1[C@@H](Br)[C@H]2CC(CBr)C[C@H](C2)[C@@H]1Br 217733154 NIGHUSUWVGGZII-OTJDUATISA-N 388.925 3.524 50 40 GHGB Cc1cc2c(c(=O)o1)[C@H](c1ccc(SC(F)(F)F)cc1)C(C#N)=C(N)O2 804035 QXXLZSXBDDLGHF-CYBMUJFWSA-N 380.347 3.778 50 40 GHGB C[C@H](Br)[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 4826172 KOONAXUBBZQRIW-PQYPPTLTSA-N 375.310 3.762 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 2774211 SPOTZIDBCKXCBD-KPKJPENVSA-N 387.779 3.811 50 40 GHGB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CCl 1466083 PYGKATOYZZLXKW-UHFFFAOYSA-N 383.853 3.786 50 40 GHGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nc2ccc(F)cc2[nH]1 408570369 UIVGNUOVNVMRNB-NTEUORMPSA-N 393.378 3.511 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4Cl)ncnc32)cc1C 7393248 KQAMCIQIBUIZGR-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 408589985 NTLRSSSNSQAIEM-IYHCKTHZSA-N 381.863 3.931 50 40 GHGB COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408755430 UVEHJPJDVSPRLI-OYKKKHCWSA-N 391.471 3.940 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)cc1 1197824 IVDVQKAJUMDVDG-YDZHTSKRSA-N 393.468 3.838 50 40 GHGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2ccccc2)cc1 670238 IHYSDKKFXIRNKE-WSDLNYQXSA-N 389.367 3.754 50 40 GHGB CCc1ccc(OCC(=O)N/N=C/c2ccc3ccccc3c2)c([N+](=O)[O-])c1 704618 WFYOUDJTOSPBNS-LPYMAVHISA-N 377.400 3.840 50 40 GHGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(F)F)cc1 3209864 ONUAYBDKGJFFJA-PGGKNCGUSA-N 387.308 3.869 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)cc1 2309655 KANAEYHUGDIZTC-QGZVFWFLSA-N 395.459 3.845 50 40 GHGB COc1cccc([C@@H]2CC(Cc3cccs3)=NN2C(=O)CCl)c1OC 4524904 FVNLPFDDZZPEHX-HNNXBMFYSA-N 378.881 3.876 50 40 GHGB N#Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3cccs3)cc2)cc1 409195258 GVQJKPVMBKKPCZ-OEAKJJBVSA-N 375.453 3.892 50 40 GHGB COc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(=O)O)c2)c1 34766586 PIOHQTIPUOYDPW-VBKFSLOCSA-N 387.395 3.730 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C\c1ccccc1Br 36067681 RLTQXOIWZXRECZ-NHDPSOOVSA-N 384.233 3.526 50 40 GHGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(C#Cc2ccccc2)cc1 24714637 FMDQKSXEZGEFKE-UHFFFAOYSA-N 379.419 3.643 50 40 GHGB CC(C)N(C(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1)C(C)C 6306974 JHOXOOAGKXLBLO-MRXNPFEDSA-N 389.496 3.543 50 40 GHGB O=C(COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)NC1CCCCC1 28215610 KZISNLPKDVJLRT-HZHRSRAPSA-N 394.475 3.670 50 40 GHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1 408798213 VIJFKBBMPHIOSL-NTEUORMPSA-N 385.217 3.781 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1[N+](=O)[O-] 889188 UUBBVXSOJCZYJT-PXLXIMEGSA-N 399.447 3.954 50 40 GHGB O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)NC1CCCCC1 3280380 OVXVRHXDUZKRKA-ZVBGSRNCSA-N 377.338 3.855 50 40 GHGB O=C(CC(=O)Nc1cccc(Cl)c1)N/N=C\c1cccc(Br)c1 32923274 ATTCGGJQXJTMBH-GRSHGNNSSA-N 394.656 3.581 50 40 GHGB CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 100795856 DVGBXCWHXLIJFD-UDPFGDFPSA-N 396.830 3.573 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(OC)c1 7993739 VWYBWLQYVINWFJ-KEBDBYFISA-N 394.880 3.608 50 40 GHGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Br)o1 673684 ATIHJNDOGXITHA-FZSIALSZSA-N 378.009 3.818 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1O 59145592 ATEHJKMXCTZINZ-KPKJPENVSA-N 387.779 3.898 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C/N2CCN(c3cccc(Cl)c3)CC2)cc1 7572358 BIZZUGOAAWAFCH-FOCLMDBBSA-N 396.878 3.517 50 40 GHGB Cc1ccc(C(=O)N[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C(C)C)cc1 9577541 QPQUJGYLWLGTSX-QGZVFWFLSA-N 393.409 3.912 50 40 GHGB Cc1cc(C)cc(NC(=O)COC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c1 95982985 VPEWEAPPGHQXQW-DHSIGJKJSA-N 380.282 3.739 50 40 GHGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSc2ccc(Cl)cc2)cc1 409185433 LLMPMDOJTLPYSQ-CIAFOILYSA-N 375.881 3.931 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)cc1 409194768 MCOSJCJQJIWABV-LPYMAVHISA-N 395.484 3.635 50 40 GHGB CCn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 33608018 WRDRIHUQTUIKDW-MNDPQUGUSA-N 384.483 3.917 50 40 GHGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc3c(c1)OCO3)[C@H](Br)C2=O 100868290 VDMURGWMUKEYRQ-FSPWUOQZSA-N 394.265 3.513 50 40 GHGB CCc1cc2cccc(C)c2nc1SCC(=O)NNC(=O)C1CCCCC1 4849289 ZIXAKNFGKWHREV-UHFFFAOYSA-N 385.533 3.925 50 40 GHGB CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccccc1Br 3079698 BUTGEHGYEVRJDE-DZUMZMOTSA-N 391.265 3.765 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)cc3)c2C)cc1 408530918 NANGRRFSDCEWML-AFUMVMLFSA-N 390.487 3.973 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc([N+](=O)[O-])c1O 408775740 JMIRJUMEQYRVEJ-AUWJEWJLSA-N 397.387 3.642 50 40 GHGB Cc1[nH]nc2c1[C@H](c1ccccc1OCc1ccc(F)cc1)C(C#N)=C(N)O2 409148253 XWMBGDOQANPONA-LJQANCHMSA-N 376.391 3.654 50 40 GHGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c1 408776971 TZKNTZWQLXGFDB-ODLFYWEKSA-N 379.460 3.702 50 40 GHGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccn1)c1cccc(Br)c1 5130208 QDMIPUACYGHFEQ-ZGXHQARYSA-N 378.295 3.865 50 40 GHGB CC[C@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(C)cc2)C1=O 5562141 GDNVVXMMPVEUTA-ODUYVQIQSA-N 391.496 3.905 50 40 GHGB O=C(NN[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(O)cc1 408734483 UJUVVPGJJBPJFW-LJQANCHMSA-N 395.846 3.660 50 40 GHGB Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccnc3)o2)n1 409146696 VKHOQFKQVXTLHX-NTEUORMPSA-N 377.429 3.778 50 40 GHGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1 216949478 OODVMOVVPBJKKY-UHFFFAOYSA-N 399.450 3.821 50 40 GHGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2\C(=O)Nc3ccc(Br)cc32)c1 39556007 NDIZHZPGVSYXQU-VKAVYKQESA-N 396.244 3.934 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 1894179 BDBNOUZYYYBLSX-OEAKJJBVSA-N 379.439 3.826 50 40 GHGB CC1(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)OCCO1 408875789 HRYRQSNSBIVKRJ-LPYMAVHISA-N 388.851 3.522 50 40 GHGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 13147912 BZOCUNIWPALNSL-MHWRWJLKSA-N 378.247 3.796 50 40 GHGB O=C(CSCc1ccccc1Cl)NNC1=C(C(=O)C(F)(F)F)CCC1 409183922 VCCWIHZTIFYBIC-UHFFFAOYSA-N 392.830 3.763 50 40 GHGB C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409019741 KJVZUNJZHAHCPB-YDZHTSKRSA-N 396.443 3.561 50 40 GHGB CCOc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc1Cl 408781870 CNEYXASQIVJSET-PMPKKLMISA-N 391.862 3.946 50 40 GHGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OC 408724764 HKOYTJOGCYSHAZ-GQNMFNQTSA-N 395.297 3.743 50 40 GHGB Cc1ccc(COc2c(Cl)cc(/C=C/C(=O)NN)cc2Br)cc1 226340898 RPUPHMKMIUEIFI-VOTSOKGWSA-N 395.684 3.993 50 40 GHGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccccc2Cl)cc1 14921892 CUHCKPZVCGBDEK-LPYMAVHISA-N 389.839 3.980 50 40 GHGB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NNC(=O)CC(C)C 11678318 CNWKFUIFWJHVMH-UHFFFAOYSA-N 395.459 3.831 50 40 GHGB Cc1ccc(NC(=O)c2cc(N(C)C)ccc2[P@H](=O)c2ccccc2)cc1 3268388 BACGFEMHBYSODV-UHFFFAOYSA-N 378.412 3.824 50 40 GHGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCC1)S(C)(=O)=O 20212689 HPCWDMGXOAVOTL-UHFFFAOYSA-N 399.944 3.631 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 409267492 WASJKKVDWQEDJD-MFKUBSTISA-N 385.423 3.910 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1c(F)cccc1Cl 100201352 WXAIZBRADVGZNP-CQSZACIVSA-N 380.762 3.620 50 40 GHGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)c(C)cc2nc1Cl 899578 DSAXQIMKVLNVDN-KRWDZBQOSA-N 383.835 3.760 50 40 GHGB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NN=C1c2ccccc2-c2ccccc21 657640 NONOMBLBCWSJFX-AWEZNQCLSA-N 387.395 3.911 50 40 GHGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(F)cc1 1192036 MSDIMGNHVXMUAI-VZUCSPMQSA-N 389.180 3.863 50 40 GHGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 16807745 RDTDZFCSCVOIQG-SEDDXWAVSA-N 380.680 3.517 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)cc1 409189934 NVYUJQXDKFAIKD-UYRXBGFRSA-N 391.471 3.847 50 40 GHGB CCOc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1OC 36144839 HVDADROECSCKIK-NDENLUEZSA-N 391.265 3.549 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1OC 59473259 NKQMPPWWZZFVII-KEBDBYFISA-N 378.881 3.741 50 40 GHGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 105581876 IVMBCXBUHPXVCV-DSSGPEPZSA-N 389.279 3.842 50 40 GHGB NNC(=O)CN1C(c2ccccc2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 3221548 NKSDSFFMHNWECJ-NRFANRHFSA-N 390.874 3.813 50 40 GHGB CC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12808680 MAWKGDXUKFXSEU-UHFFFAOYSA-N 397.519 3.649 50 40 GHGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)ccc1OC(C)C 5130870 PGLUFCVTEZSELB-INIZCTEOSA-N 382.464 3.721 50 40 GHGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccccc1F 13943565 FNDKOHCLJSESRC-BHGWPJFGSA-N 381.329 3.979 50 40 GHGB COc1cccc(/C=N/NC(N)=O)c1OCCCOc1cc(C)ccc1C(C)C 4599725 TVNOMFLUGRCQHP-ZVHZXABRSA-N 399.491 3.977 50 40 GHGB Cc1c(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c2ccccc2n1C 408857428 MMILURGXNVUSDC-NXLZNQMJSA-N 380.455 3.694 50 40 GHGB CCCC[C@H](Br)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(F)cc12 4871991 GNHRASBAGXSQOS-NSHDSACASA-N 385.233 3.986 50 40 GHGB Cc1sc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c(C#N)c1C 409061459 XHZZQCCAJMTGED-FOKLQQMPSA-N 377.473 3.803 50 40 GHGB COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc(OC)c1OC 20103090 HXQPDGMMYAATJQ-IBGZPJMESA-N 388.423 3.804 50 40 GHGB CCOc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC(C)=C3C(C)=O)cc2c1 883072 SDHYNTGHWVNTEG-SFHVURJKSA-N 383.835 3.958 50 40 GHGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1 107861070 HMGLZYUSADGFQB-LPYMAVHISA-N 399.447 3.602 50 40 GHGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 2797272 ICOVZKJVLFKTMC-MDWZMJQESA-N 385.763 3.580 50 40 GHGB COc1cc(Cl)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 4454775 NGZWRJDLNSGRAI-QGZVFWFLSA-N 388.851 3.808 50 40 GHGB CCn1cc(/C=N/NC(=O)[C@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cn1 6412755 GSOTWKXBFQYQBR-DGSAEOIUSA-N 392.507 3.840 50 40 GHGB COc1ccc(C2=CC(=C(C#N)C#N)c3cc([N+](=O)[O-])ccc3O2)cc1OC 4749500 PHPGSDQWNDFMEN-UHFFFAOYSA-N 375.340 3.846 50 40 GHGB COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408768929 MFRRLSKVYWSOCW-CFRMEGHHSA-N 395.434 3.771 50 40 GHGB CCOc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC(C)=C3C(C)=O)cc2c1 883073 SDHYNTGHWVNTEG-GOSISDBHSA-N 383.835 3.958 50 40 GHGB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)NNC(=O)c1ccco1 4849476 AYKBKCHZELIITG-UHFFFAOYSA-N 383.473 3.560 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccccc1 6496146 NUTWDYCOLRUXBM-MRXNPFEDSA-N 381.432 3.536 50 40 GHGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C 28216341 NDUORBWSZUMZQA-ZVHZXABRSA-N 391.471 3.940 50 40 GHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2O)cc1 408813993 GLDJFNHAOXPRQL-MLPAPPSSSA-N 377.227 3.931 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1C1CC1 40040311 SMJDTHBDPABDHG-JCMHNJIXSA-N 388.515 3.691 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1C 1097104 WAOIEQRDZIHEDM-LDADJPATSA-N 389.455 3.759 50 40 GHGB Cc1ccc2nc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)cc(C)c2c1 5006902 FYEYKPKQOUQOKO-SSDVNMTOSA-N 393.468 3.792 50 40 GHGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccccc1F 7156556 QPGUZYIIHJXFSM-VZUCSPMQSA-N 389.180 3.863 50 40 GHGB N#C/C(=C\c1ccc(N2CCCC2)cc1)c1nn(-c2ccccc2)c(N)c1C#N 5589975 VFWHEGDEQGUSIK-NBVRZTHBSA-N 380.455 3.991 50 40 GHGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1cccc(F)c1 59248978 UPVFSNIYLWIIHJ-VXLYETTFSA-N 380.217 3.545 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1O 9355340 MCQXUMMXUGDOLG-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB CCOC(=O)NC1=C[C@@H]2[C@@H](C=C1)Sc1ccccc1N2C(=O)CCCl 24550365 JMDCXLWRYKPMHW-GDBMZVCRSA-N 378.881 3.691 50 40 GHGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3OC)o2)c([N+](=O)[O-])c1 6181699 BQALSXJXAVZXLZ-CIAFOILYSA-N 395.371 3.636 50 40 GHGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 5531489 YEBKZRHXMNMLOI-SVXRXWARSA-N 379.825 3.585 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc12 1105572 RHTAQKOJIGTUIG-AFUMVMLFSA-N 385.423 3.926 50 40 GHGB COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 59333432 JDZCSJMHYJAOOS-LGMDPLHJSA-N 381.863 3.604 50 40 GHGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1O 34872770 JDWNOZFZXAGLKA-RIYZIHGNSA-N 394.246 3.502 50 40 GHGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 408692971 ZTEDHQLZUXKZRJ-BRJLIKDPSA-N 382.414 3.935 50 40 GHGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1ccccc1[N+](=O)[O-] 4402079 RCOPSOMEOGKQFD-SRZZPIQSSA-N 388.811 3.691 50 40 GHGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cccnc1 2257291 KGPFMYFWOLNXBG-AWEZNQCLSA-N 383.333 3.504 50 40 GHGB CCc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 7208085 XFFXJRWSOCCYFF-CAPFRKAQSA-N 385.471 3.730 50 40 GHGB Cc1ccc2nc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)cc(C)c2c1 871024 KWKRTBKPTIXUPV-UFFVCSGVSA-N 381.457 3.505 50 40 GHGB C[C@H]1CCCC/C1=N/NC(=O)CCC(=O)Nc1ccccc1Br 15931097 XOBCLYPJKXSZBA-SXPRPLFSSA-N 380.286 3.850 50 40 GHGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 5282453 HVOJPFIZZNLWMT-FYJGNVAPSA-N 390.892 3.885 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1Br 16606248 AFPJHKUEMYEVQI-RIIGDQIGSA-N 378.314 3.792 50 40 GHGB O=C(NC/C(=N/NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 18191592 MURVTUZVIILISS-QQTULTPQSA-N 391.858 3.904 50 40 GHGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1Br 4740788 FWTZLUCTQXWVBE-CAOOACKPSA-N 398.054 3.681 50 40 GHGB O=C(c1ccc(Br)cc1F)[C@H](Br)CBr 306700006 YCYMQMMBWMSYBH-SSDOTTSWSA-N 388.856 3.929 50 40 GHGB COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)o2)c1 409230412 DFLXCRJXOQUNSO-CFRMEGHHSA-N 394.402 3.874 50 40 GHGB CCOc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(Br)cc1 409013439 UZZMFJDPLFRGOJ-RGVLZGJSSA-N 391.265 3.897 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccccc1Cl 408591441 TUOORXASHCHLKV-IYHCKTHZSA-N 381.863 3.931 50 40 GHGB COc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccc2ccccc2c1 5370375 ONVRWDOGOFWUNT-BUVRLJJBSA-N 375.428 3.983 50 40 GHGB O=C(NNC(=O)c1ccccc1C(=O)c1ccccc1)c1cccc(Cl)c1 1087266 KXXGKUFESZGULR-UHFFFAOYSA-N 378.815 3.646 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccccc1F 58853155 BKWYGPSSXUICIC-DZHDYZGWSA-N 393.418 3.523 50 40 GHGB COc1cc(CCC(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 3309244 ZNLRYNUSNUFYQV-UHFFFAOYSA-N 395.795 3.812 50 40 GHGB CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)C1CC1 13322268 YHCBWSRJIZVBAV-LDADJPATSA-N 397.452 3.739 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 4405497 KQPBTXJXQFWECY-BUVRLJJBSA-N 397.475 3.962 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H](O)c1ccccc1 409149540 JEZPEMJZLAVYRW-PGNNWUFWSA-N 399.790 3.692 50 40 GHGB COc1ccc(CC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408960172 CYLPXMVUKXKKND-QRVIBDJDSA-N 392.411 3.655 50 40 GHGB CCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 32519897 VUEJXVREQBZMAG-FYJGNVAPSA-N 382.489 3.984 50 40 GHGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 83293686 ZFZRKLZCNZBUFI-UUYOSTAYSA-N 397.818 3.697 50 40 GHGB CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)C(N)=O)cc1 97980774 YLLCWPREGOSWAC-HAVVHWLPSA-N 375.513 3.922 50 40 GHGB CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3ccncc3)o2)c(OC)c1 1083434 JJSDBXVLUWBPRJ-ZVHZXABRSA-N 393.443 3.979 50 40 GHGB O=C(N/N=C/c1cccn1-c1ccc(F)cc1)c1ccc(N2CCCC2)cc1 13140654 DRRKATICIJYTBV-LFVJCYFKSA-N 376.435 3.981 50 40 GHGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 3470542 FAYHTEMZIIQZJG-PXLXIMEGSA-N 398.463 3.750 50 40 GHGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(I)cc2)c1 409363459 LYCBTKSDBWAFCO-ODLFYWEKSA-N 392.240 3.601 50 40 GHGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc(F)c1 408569811 QCMDNTGMWATFGP-RGVLZGJSSA-N 376.478 3.833 50 40 GHGB O=C(COc1ccccc1/C=N\NC(=O)c1ccccc1)Nc1ccccc1F 409376500 BELZTDPEZVGEEK-OYKKKHCWSA-N 391.402 3.607 50 40 GHGB CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cs1 40139916 ZNGJUGHYUCRQDI-WUXMJOGZSA-N 382.420 3.926 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1Cl 925140 RIVQWWPOQPHQFZ-QGZVFWFLSA-N 383.835 3.841 50 40 GHGB O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 59459729 RUZBWBNHQWVRHW-OEAKJJBVSA-N 377.375 3.707 50 40 GHGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccccn3)cc2)n1 3244888 FNVNVEAPQYPLRM-WSDLNYQXSA-N 377.473 3.545 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c(C)c1 4663492 RJVWAZRQCHMGFB-LPYMAVHISA-N 392.415 3.531 50 40 GHGB O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc2[nH]c3c(c2c1)CCCC3 6628077 XZCOBCOPIWXOIL-UHFFFAOYSA-N 399.454 3.512 50 40 GHGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)oc2ccccc12 7380336 MANHLJBBPLACON-UHFFFAOYSA-N 399.255 3.671 50 40 GHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1c[nH]nc1-c1ccccc1 5323885 VAZYBVGOGMKOMT-ZVBGSRNCSA-N 389.242 3.913 50 40 GHGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)N1CCN(c2ccccc2)CC1 208538198 IQZNVKAEMQSWKM-ZPHPHTNESA-N 390.487 3.526 50 40 GHGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl 1480501 PWHWQWCFCWQAPS-ZDUSSCGKSA-N 387.650 3.857 50 40 GHGB C[C@]1(CBr)[C@@H]2CC[C@]1(CBr)C(=O)[C@@H]2Br 100746564 FYVXSJHUBPYLLD-XFFJFQIUSA-N 388.925 3.525 50 40 GHGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1 59515507 YOUSYNZVSBGVHV-RGVLZGJSSA-N 388.265 3.661 50 40 GHGB O=C(NNc1ccccc1C(F)(F)F)c1cccnc1OCC(F)(F)F 24802620 WZOAFEIHEVKFBK-UHFFFAOYSA-N 379.260 3.798 50 40 GHGB CC(C)COc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1 408604217 UJFNCYCBENKTOE-JMIUGGIZSA-N 391.265 3.953 50 40 GHGB CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1O 5463846 QFKVGKUILQNMSB-UFFVCSGVSA-N 376.840 3.590 50 40 GHGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccccc1OC 408995348 BOCRUSSFBLRDRO-FOWTUZBSSA-N 394.431 3.995 50 40 GHGB C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCc4sccc4[C@@H]3C)cc2C1 84700205 HUSSYGLCIHXRNG-RYUDHWBXSA-N 389.546 3.908 50 40 GHGB O=C(N/N=C\c1cccc(O)c1)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408729340 ZAIUOSWRSKKRML-MSXFZWOLSA-N 375.403 3.815 50 40 GHGB COc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCCC2)cc1OC 33787878 ODVLHSJILIPKDG-JYRVWZFOSA-N 393.281 3.822 50 40 GHGB CN1/C(=C(\C#N)C(=O)COC(=O)C2(c3ccccc3)CC2)Sc2ccccc21 97994212 ANSXFNJXTLOAQG-SILNSSARSA-N 390.464 3.808 50 40 GHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 5579752 OJRWWEVKKSNQLC-SSDVNMTOSA-N 398.802 3.827 50 40 GHGB CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(N)=C(C#N)C21CCOCC1 1070313 BLFHHKKICZCWRL-UHFFFAOYSA-N 377.488 3.636 50 40 GHGB ClCCN(CCCl)c1ccc(CSc2ncnc3nc[nH]c23)cc1 1691608 VXBMTQQMBIGQON-UHFFFAOYSA-N 382.320 3.929 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(N(C)C)cc1 9265471 CCGVIVMUXWZAHB-OEAKJJBVSA-N 376.460 3.630 50 40 GHGB COc1cc(Cl)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 4454777 NGZWRJDLNSGRAI-KRWDZBQOSA-N 388.851 3.808 50 40 GHGB Cc1ccc(-c2nc(CC(=O)NNC(=O)CCC3CCCCC3)cs2)o1 66555658 DZAFEVNYSYJUHK-UHFFFAOYSA-N 375.494 3.762 50 40 GHGB O=C(CCN1C(=O)c2ccccc2C1=O)NN(c1ccccc1)c1ccccc1 7771906 FFLKRKTWNNIOIR-UHFFFAOYSA-N 385.423 3.542 50 40 GHGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1ccc(C)cc1 4167595 DKOMLEONOIPBOI-VOFUZEFRSA-N 394.707 3.825 50 40 GHGB C[C@H](NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2)c1ccccc1 7157257 OUQOCDNSFCYOAG-QNKXHIPISA-N 399.244 3.962 50 40 GHGB Cc1ccc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)[nH]c2c1 6420855 UURAFNIKJMHCMU-LFIBNONCSA-N 389.415 3.680 50 40 GHGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 7782316 BGEHRLINPDRQNH-FOKLQQMPSA-N 392.286 3.883 50 40 GHGB Cc1cc(NC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)ccc1Br 408904170 FVSYNXCPIALPNC-MFOYZWKCSA-N 377.198 3.821 50 40 GHGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)c(C)c1 9109995 QRXBITHZVFTQAX-OAHLLOKOSA-N 395.484 3.915 50 40 GHGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)c1 409139186 BASVWBMOUFZLOT-CQSZACIVSA-N 381.457 3.607 50 40 GHGB N#C[C@@H](C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccccc1 409196870 YLAXBKCMQGHIDS-CNPYVQQSSA-N 381.233 3.688 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)cc1C 3081445 QSEKXIKQUGFVGV-AWQFTUOYSA-N 391.265 3.609 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC)c(OCC)c2)cc1 8082108 ANVZQEDYDAAWFD-CIAFOILYSA-N 376.840 3.910 50 40 GHGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccccc1F 5867001 FSKGKXKAAIJOBZ-OMCISZLKSA-N 390.006 3.708 50 40 GHGB N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 100421314 JZCLAYSGELZZQY-GXDHUFHOSA-N 391.412 3.794 50 40 GHGB CSc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccco2)cc1 12250539 VSJDIYJJQBKKTR-LIRRHRJNSA-N 384.482 3.645 50 40 GHGB COc1cccc(C(=O)NNC(=O)c2ccccc2Nc2ccccc2OC)c1 3213762 ONTNDZSOXGOMSB-UHFFFAOYSA-N 391.427 3.522 50 40 GHGB O=C(N/N=C\c1cccc(Br)c1)c1cc(Br)ccc1O 408971656 KXIBELCQPJBENN-IUXPMGMMSA-N 398.054 3.681 50 40 GHGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 4705371 AWMWXRNURIZJOC-JXMROGBWSA-N 390.193 3.612 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1 409151222 HDPDRKUBPDISRW-XMHGGMMESA-N 389.455 3.542 50 40 GHGB N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)NCCc1ccccc1 408801030 SGLUOSWCECDRTH-SAPNQHFASA-N 386.407 3.911 50 40 GHGB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)NNC(=O)c1ccco1 15936149 BWPPPZFTMMUGEQ-UHFFFAOYSA-N 383.473 3.560 50 40 GHGB N#C/C(=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(N)=S 2887535 AMQFQFSBANWLLB-UKTHLTGXSA-N 378.432 3.612 50 40 GHGB Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)cc1 12275057 JNKMZEXSXDWIGE-IERDGZPVSA-N 380.444 3.777 50 40 GHGB N#CCn1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 408956846 YSXKEHQURUMWCU-AQTBWJFISA-N 393.450 3.912 50 40 GHGB CCCCCn1c(O)c(C(=O)N/N=C/c2ccc(F)cc2)c(=O)c2ccccc21 5322454 ZGNGSKPRTZCTOG-ZVHZXABRSA-N 395.434 3.800 50 40 GHGB N#CC(C#N)=CNc1nc(-c2ccc(I)cc2)cs1 15242083 MGJOQWYDNVMYNZ-UHFFFAOYSA-N 378.198 3.758 50 40 GHGB CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1ccccc1 9421884 VOESULVNVHCBGP-QNGOZBTKSA-N 396.450 3.915 50 40 GHGB O=C(N/N=C/c1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccncc1 845773 UQSJJJPZLFOAGO-ZMOGYAJESA-N 389.846 3.897 50 40 GHGB N#C/C(=C/c1ccc(O)c(I)c1)c1nc2ccccc2[nH]1 51105129 CTKOKUOZUCASGP-XFFZJAGNSA-N 387.180 3.937 50 40 GHGB O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1O 1445152 YCDSJVAHERUADA-SSDVNMTOSA-N 398.260 3.870 50 40 GHGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1ccccc1Cl 12787619 WNNUKDYMIOEEQB-AWEZNQCLSA-N 382.847 3.651 50 40 GHGB O=C(CCCSc1nc2ccccc2s1)NNC(=O)Cc1ccccc1 12863451 QKZBISOZECYEDV-UHFFFAOYSA-N 385.514 3.559 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1O 5526598 JDOKOIZTWBNRIZ-OEAKJJBVSA-N 376.412 3.840 50 40 GHGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccccc1Cl 66255755 YTWYPIVKCVDBLU-PTNGSMBKSA-N 385.826 3.861 50 40 GHGB Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(\C#N)C(=O)NC(C)C 7751293 TUMCMRQUGNNKNM-RIYZIHGNSA-N 377.275 3.978 50 40 GHGB COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 28217285 GMFHEMXFMPGQNM-ZVHZXABRSA-N 391.471 3.940 50 40 GHGB COc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 409043720 ZHRLWYWYFZDREB-FYJGNVAPSA-N 379.372 3.556 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(OCc2ccccc2)c1 705816 PVWIKZUMRMVFFI-NRFANRHFSA-N 390.439 3.910 50 40 GHGB CCn1c(SCC(=O)N/N=C(/C)c2cccc(OC)c2)nc2ccccc21 4939977 PNNHXQKRSHMBMN-HMAPJEAMSA-N 382.489 3.697 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1 59433161 UGNJUWZSZGFSBW-CIAFOILYSA-N 379.372 3.936 50 40 GHGB COc1ccccc1[C@H]1CC(=O)N2CN(c3ccccc3)CSC2=C1C#N 2327438 QVYPYWMQUABEPW-QGZVFWFLSA-N 377.469 3.915 50 40 GHGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCOCC2)c1C 408961963 WCFQTGSEUXEPSS-STZFKDTASA-N 377.488 3.731 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCC(=O)O 408830877 YZROHVRHXSQODR-WJDWOHSUSA-N 380.375 3.563 50 40 GHGB CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1 4751329 NWFKODWBDOZIHN-FQEVSTJZSA-N 394.427 3.849 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1O 409177146 BXTYUNFCBKTVCM-CIAFOILYSA-N 379.372 3.616 50 40 GHGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)N2C(=N1)SC(C#N)=C2N 4502849 RKRXYKWVPCBFAJ-OAHLLOKOSA-N 388.880 3.676 50 40 GHGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 688539 QCICHUASHJMQIX-VGOFRKELSA-N 385.467 3.961 50 40 GHGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1 409147142 UZACBLPOLGZSLW-AWEZNQCLSA-N 381.457 3.607 50 40 GHGB N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 17077311 ABDPLWZEHQZHSI-RMKNXTFCSA-N 378.207 3.964 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3OC)o2)cc1 4544155 MMVPBUYJXJAOQU-OEAKJJBVSA-N 392.411 3.896 50 40 GHGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3)cc2)cc1 408842892 KHGGRBSOHSJXAM-CXUHLZMHSA-N 399.450 3.722 50 40 GHGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(N)=O 408896183 PYKLLXOVFVXXAC-NTUHNPAUSA-N 375.197 3.559 50 40 GHGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/C=C/c1ccco1 3148623 UNKIJQXMTVIOIP-SQROSPRLSA-N 377.238 3.853 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1 6027184 SUUUWEBCBZCHQF-WJDWOHSUSA-N 393.443 3.555 50 40 GHGB CC(=O)N[C@@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1 941191 YWIZATWSEGXQDW-OAHLLOKOSA-N 390.634 3.833 50 40 GHGB CCCc1ccc(OCC(=O)N/N=C/c2ccc(Br)s2)cc1 1434128 ZOAPJDTVRDXWSO-VCHYOVAHSA-N 381.295 3.992 50 40 GHGB Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 2375972 NJLRJJAZFZBEDI-SRZZPIQSSA-N 399.907 3.686 50 40 GHGB COc1cccc(-c2n[nH]c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)c1 5197602 HMAISZJBQSEMMH-INIZCTEOSA-N 394.818 3.662 50 40 GHGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)COc1ccc(C)cc1 5341619 GDUXMZSSIURXFD-HZHRSRAPSA-N 387.867 3.857 50 40 GHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 6761662 PEUCBMDJYCLSFF-YDZHTSKRSA-N 389.411 3.872 50 40 GHGB N#CC(C#N)=C(N1CCCCC1)[C@@]1(C#N)[C@H](c2ccccc2Cl)C1(C#N)C#N 66089432 WHRPAZDALPKPAO-WIYYLYMNSA-N 386.846 3.768 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)cc1 408590545 POHDPQBUWKOAHI-FSJBWODESA-N 391.427 3.595 50 40 GHGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408847566 NNMXZESRMVHSNG-UUYOSTAYSA-N 382.803 3.871 50 40 GHGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC 409235305 ZOFHASJPCGRPGG-QRVIBDJDSA-N 388.826 3.583 50 40 GHGB CC(C)Oc1cccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1 9204363 BNXBNHZVAYILND-UDWIEESQSA-N 375.266 3.929 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1C 1434006 XRRNAUDFEZPGNU-YDZHTSKRSA-N 392.411 3.645 50 40 GHGB CCCCc1[nH]nc2c1[C@@H](c1ccc(Br)s1)C(C#N)=C(N)O2 8382672 XAZMKEBXAVVJQK-GFCCVEGCSA-N 379.283 3.794 50 40 GHGB O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)Cc1c[nH]c2ccccc12 9882957 JIIQNEOMCFGSSK-UHFFFAOYSA-N 383.451 3.768 50 40 GHGB CCOc1cc2c(cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1)OCO2 408968207 USHQVNVRIJMGFR-LSFURLLWSA-N 380.322 3.597 50 40 GHGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc(C)cc1 4713830 VYVVXRJEXIVRPJ-OEAKJJBVSA-N 387.867 3.857 50 40 GHGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)O 59302627 RGCSSEKXDIOYNV-YPZZKDGISA-N 381.215 3.609 50 40 GHGB O=C(/C=C/c1cccs1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 1298161 PBFMJILXVPJOQH-OUKQBFOZSA-N 397.500 3.741 50 40 GHGB COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(C)=O 1437701 NLTJJBCPRZWSEQ-FSJBWODESA-N 398.459 3.581 50 40 GHGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccccc2)cc1 33794205 NMFXCNUOALPFID-HAHDFKILSA-N 389.411 3.867 50 40 GHGB COc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 876547 OPRAANWASYVLNJ-OAQYLSRUSA-N 395.418 3.908 50 40 GHGB CCOc1cccc2cc([C@H](C)NC(=O)NNC(=O)c3ccc(F)cc3)oc12 32802149 JBVFBFYVYCFACG-LBPRGKRZSA-N 385.395 3.676 50 40 GHGB CO[C@H](C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1 59471512 OQJCQUZUXCWGLV-DOZBRYHWSA-N 388.423 3.744 50 40 GHGB O=C(NNc1ccccc1C(F)(F)F)c1nc(N2CCCCC2)ncc1Cl 48235101 SDQFAMWHSALIRF-UHFFFAOYSA-N 399.804 3.896 50 40 GHGB C#CCOc1c(CC=C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC 409244569 FPQMKDXGVSMWQF-XYGWBWBKSA-N 394.446 3.658 50 40 GHGB C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(Cl)cc1 5164274 FELNQAJQVXQKKD-LPYMAVHISA-N 399.907 3.915 50 40 GHGB CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCOc2ccc(OC)cc2)c1C 48302750 DANXNGOITWEYPI-RGEXLXHISA-N 381.476 3.626 50 40 GHGB O=C(O)[C@@H](Br)[C@@H](Br)c1ccccc1Br 2509759 IOATZQRJTIURPY-YUMQZZPRSA-N 386.865 3.733 50 40 GHGB in-vitro COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OC 9200715 HUEUAVQSQYQPQR-VXLYETTFSA-N 377.238 3.539 50 40 GHGB CCOc1cc(C(=O)N/N=C/c2ccc(C#N)cc2)cc(OCC)c1OCC 3242305 AFIKBQFGKMNMCA-OEAKJJBVSA-N 381.432 3.518 50 40 GHGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2ncccn2)o1 409105009 HNHCYBUOOUGCPF-ACCUITESSA-N 378.413 3.775 50 40 GHGB Cc1cccc(OCC(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)c1 716850 LBFDBRATZCRBFM-UFFVCSGVSA-N 386.249 3.768 50 40 GHGB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NNC(=O)c1cccs1 8138458 VBWBCXPIXROBRZ-UHFFFAOYSA-N 375.453 3.831 50 40 GHGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccccc2nc1Cl 3245464 XCXQSUBUWYQVHJ-KRWDZBQOSA-N 381.819 3.699 50 40 GHGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1cccc2ccccc12 8733120 ANZIEFIMKWQYQP-OAHLLOKOSA-N 377.282 3.848 50 40 GHGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21 408820781 YPPSCCSBUXUMCR-PTNGSMBKSA-N 391.402 3.889 50 40 GHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OC)c2)cc1 408819566 ZJFLCPWJUAVMLI-GZTJUZNOSA-N 394.427 3.815 50 40 GHGB CCOc1ccc(NC(=O)N/N=C\c2cc(Br)c(N(C)C)o2)cc1 408851246 APKHVYLRYKOOBJ-ZDLGFXPLSA-N 395.257 3.662 50 40 GHGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)O 409048861 UHNIEBGUEVPIOH-AWNIVKPZSA-N 388.763 3.784 50 40 GHGB Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccccc1 408785458 GCNCVKNOOBTBKG-IWIPYMOSSA-N 390.487 3.689 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 192540566 PHDIJMNQRUJBPK-MFOYZWKCSA-N 395.415 3.614 50 40 GHGB O=C(NNc1cccc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 55185993 WKBPXPFMIYBMPI-GFCCVEGCSA-N 384.288 3.803 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1OC 6381033 MDOLUQKAWYPZLO-OEAKJJBVSA-N 376.412 3.883 50 40 GHGB C/C(=N/NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1ccc([N+](=O)[O-])cc1 6189234 TXFWKFNTGQTNQS-JWGURIENSA-N 391.431 3.610 50 40 GHGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNc1ccc(Cl)cc1Cl 2048555 CLIROTCLBAHZBS-CQSZACIVSA-N 382.272 3.940 50 40 GHGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 59224592 OVADAOZSIJCYAO-GDNBJRDFSA-N 379.372 3.714 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 59201136 WERUGIIGSXEHFE-KPKJPENVSA-N 387.779 3.811 50 40 GHGB COC(=O)c1ccc([C@H]2C(C#N)=C(C)NC(C)=C2C(=O)Nc2ccccc2)cc1 25157013 JITIOPSEELRYHJ-NRFANRHFSA-N 387.439 3.870 50 40 GHGB Cc1ccc(/C=N/NC(=O)CSc2cccc3cccnc23)cc1[N+](=O)[O-] 710873 SMHKRUFKUCSDQK-SRZZPIQSSA-N 380.429 3.694 50 40 GHGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)cc1 7159849 IXUCDPHTNLXUBK-OOIVEFLKSA-N 393.487 3.695 50 40 GHGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSc2ccc(Cl)cc2)c1 7993725 LXBURLXVGHPISM-CIAFOILYSA-N 375.881 3.931 50 40 GHGB CC1=C(C#N)[C@H](c2ccccc2I)C2=C(CCCC2=O)N1 22612011 RNSKIPGJONKLIL-INIZCTEOSA-N 390.224 3.783 50 40 GHGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 409245173 OMCJQCWISRVKAE-MYYYXRDXSA-N 392.478 3.992 50 40 GHGB Cc1ccc(N2C(=O)[C@H](C)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 2423214 AVSYEVYOKCQMHE-VFOOBRQFSA-N 391.496 3.557 50 40 GHGB COc1cccc(-c2n[nH]c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)c1 5197606 HMAISZJBQSEMMH-MRXNPFEDSA-N 394.818 3.662 50 40 GHGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)c1cccc(F)c1 4505844 YHEGUWHSNXHUMZ-YDZHTSKRSA-N 378.359 3.514 50 40 GHGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)cc1 4292582 OEPUILDMYLVUBF-OAHLLOKOSA-N 398.344 3.815 50 40 GHGB biogenic C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1 5618251 GGAXYKRNFWFJND-WOJGMQOQSA-N 376.210 3.820 50 40 GHGB O=C(NNC(=O)c1cc(Cl)nc(Cl)c1)Nc1cc(Cl)nc(Cl)c1 2555878 AQXKKRMPIYRKBB-UHFFFAOYSA-N 395.033 3.557 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1Br 880825 BENOUICCYYHDNI-DJKKODMXSA-N 397.656 3.640 50 40 GHGB Nc1nc2ccc(C(=O)N/N=C3\CCCc4c3[nH]c3ccccc43)cc2s1 5572501 JGALNBZCTARAMO-LFVJCYFKSA-N 375.457 3.830 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Br)c1O 6586150 YNIBWRWRPDYMEU-MXUOTFPVSA-N 393.281 3.765 50 40 GHGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 16758805 NYMAMWGLWXETAP-XUMLYMLNSA-N 397.887 3.512 50 40 GHGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)s1 17078041 LNLBHLMFWYMDGK-CXUHLZMHSA-N 382.239 3.881 50 40 GHGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 20132804 SKEMMHIDPIUGFE-GFCCVEGCSA-N 398.326 3.635 50 40 GHGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 20238097 OLHDWFPPIPESSG-QGZVFWFLSA-N 398.488 3.942 50 40 GHGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccc(I)c1 408720701 CMMIRSIYTPNRIY-OLXINACNSA-N 382.245 3.568 50 40 GHGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCC(C)C 408916147 VEVHDQCMNBBMLN-FSJBWODESA-N 384.476 3.876 50 40 GHGB O=C(CCS(=O)(=O)C1CCCC1)NNc1c(Cl)cc(Cl)cc1Cl 42195504 MYSDCZIZXCQWMP-UHFFFAOYSA-N 399.727 3.837 50 40 GHGB O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(O)c1 51105044 QIVMCBIQAZEQDP-JAIQZWGSSA-N 378.413 3.777 50 40 GHGB O=C(CCl)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl 5523331 DDLUYZUPQUISRN-UHFFFAOYSA-N 393.679 3.972 50 40 GHGB CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(Br)o2)cc1 4724139 TXLSJCKXHKNQHL-GRSHGNNSSA-N 379.254 3.869 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccccc1 4702576 HGZRZPGNUNXFRS-ZVHZXABRSA-N 375.428 3.823 50 40 GHGB N#Cc1ccc(Oc2ccc(NC(=O)NNC(=O)c3cccc(O)c3)cc2)cc1 95460914 PSYJYVSALGSGKO-UHFFFAOYSA-N 388.383 3.523 50 40 GHGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2o1 408968140 ZQPHKEFNNGUFFJ-QGMBQPNBSA-N 388.723 3.667 50 40 GHGB CCc1cc2cc(C)ccc2nc1SCC(=O)NNC(=O)c1cccc(C)c1 35291440 LZYKSRMHCWSZIW-UHFFFAOYSA-N 393.512 3.967 50 40 GHGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2)cc1OC 8043430 TYXUILDGZPYVGO-RGVLZGJSSA-N 391.265 3.929 50 40 GHGB COc1ccc(N2CCN(/C=C(\C#N)c3nc4ccccc4s3)CC2)cc1 1463710 DBSMXYHJIGCPKV-FOCLMDBBSA-N 376.485 3.992 50 40 GHGB C/C(=N/NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1 6185038 JOXLHIAAUIAFGI-OYKKKHCWSA-N 379.847 3.763 50 40 GHGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1O 985608 YQHWJJQEPKGLRD-GOSISDBHSA-N 388.427 3.708 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1[N+](=O)[O-] 59473510 CBGYDAHJAPFICQ-DJKKODMXSA-N 393.852 3.640 50 40 GHGB C[C@H](Oc1cccc(F)c1)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24763107 SYKLWLWJRYQGKI-VIFPVBQESA-N 387.289 3.663 50 40 GHGB Cc1ccc(CCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)o1 6054801 WCNQLFMYIFNSRP-LVWGJNHUSA-N 387.439 3.588 50 40 GHGB C[C@H]1CCc2sc(C(=O)N/N=C3\C(O)=Nc4ccc([N+](=O)[O-])cc43)cc2C1 8490234 MCFOCLMLYVCAKO-VIFPVBQESA-N 384.417 3.517 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 408822676 RQFXATTZSYZYOT-AFUMVMLFSA-N 399.450 3.757 50 40 GHGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(F)c1 33305907 XYAGBPOVCAESIT-QRVIBDJDSA-N 394.406 3.834 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 16758837 KJUBBHOTCIHAFI-CIJMEZBMSA-N 396.443 3.815 50 40 GHGB CCOc1ccc(Oc2c(/C=N\NC(C)=O)c(C)nn2-c2ccccc2)cc1 12733039 SXZZVEFPKRTJTP-HMAPJEAMSA-N 378.432 3.842 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC 408966453 LTTDSRGTJUKWIS-WYMPLXKRSA-N 399.809 3.525 50 40 GHGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OC 408724765 HKOYTJOGCYSHAZ-OGXMHIDPSA-N 395.297 3.743 50 40 GHGB COc1cc(OC)c(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1Br 408718975 ZGWLAUVYTGKQCQ-UWFRQMFMSA-N 395.297 3.743 50 40 GHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc2c(cc1Cl)OCO2 33745065 KHMOJPIDUKLFRA-LSHDLFTRSA-N 382.803 3.994 50 40 GHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2Br)cc1 223174459 JSNCIMXASTYTPE-UVTDQMKNSA-N 385.217 3.781 50 40 GHGB N#C/C(=C/c1cc(Br)cs1)C(=O)Nc1ccc(C(=O)O)cc1 48237935 IZQYJCGARBBHKS-YHYXMXQVSA-N 377.219 3.754 50 40 GHGB COc1ccc2nc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)[nH]c2c1 13286744 VXBVKLKAVABHJL-UHFFFAOYSA-N 377.429 3.505 50 40 GHGB CCc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)OC(C)C)cc1 409188249 XTFUJQVTSXGHKH-XKZIYDEJSA-N 383.448 3.735 50 40 GHGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C(F)(F)F)cc3)CC2=O)cc1 409252957 ACVGFMZAFZZPHL-BHVZIVLHSA-N 389.377 3.517 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1 408718694 XPCMXIRRTHEODO-AFUMVMLFSA-N 399.450 3.757 50 40 GHGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)c1 408794806 KBYIOWPNZKZMNL-OVCLIPMQSA-N 384.819 3.966 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1O 1096197 AONPQBPSXQBWRD-LPYMAVHISA-N 391.383 3.643 50 40 GHGB COc1ccc([C@@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)Nc2ccccc23)cc1 3227194 CHMPUYFUQCWEIU-GOSISDBHSA-N 386.333 3.843 50 40 GHGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 59101671 STHZSXLRIWBIGS-DJKKODMXSA-N 382.272 3.804 50 40 GHGB O=C(N/N=C/c1ccccc1Br)c1ccc(Cl)c([N+](=O)[O-])c1 59447251 GANAUCPTBIMFOC-CAOOACKPSA-N 382.601 3.775 50 40 GHGB COc1ccccc1C(=O)N/N=C(\C)c1ccc(NC(=O)c2ccco2)cc1 5382082 MWBWIUFRJQIOKH-OEAKJJBVSA-N 377.400 3.695 50 40 GHGB O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 9329504 HQHJCTRFEAXKNW-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB Cc1oc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Br 408861896 GPKQFPUHUNBTNO-FRKPEAEDSA-N 386.043 3.877 50 40 GHGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)c(Br)cc1O 221615024 VHHMYNFUTMBTQH-KPKJPENVSA-N 389.253 3.545 50 40 GHGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)ccc1O 1081896 JGJDRDSESQPAPZ-SSDVNMTOSA-N 398.260 3.870 50 40 GHGB O=C(c1ccc(Cl)cc1)c1c[nH]c(C(=O)NNc2cccc(Cl)n2)c1 1384769 DDPHVBHEVMDYQX-UHFFFAOYSA-N 375.215 3.704 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2Br)c(O)c1 20760522 NKBFEOYYJIEAJD-VXLYETTFSA-N 377.238 3.706 50 40 GHGB COc1ccc([C@@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1 409312330 FPKGFYPBXZPLPV-KRWDZBQOSA-N 395.440 3.875 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c(C)c1 20194741 OHTYIGKPHUSBGV-YDZHTSKRSA-N 376.412 3.954 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(N)=O)c(C)n1-c1cccc2ccccc12 5280673 ZMFBRKAHZNSDMU-PUMYGXPMSA-N 387.439 3.571 50 40 GHGB C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc2c(c1)OCCO2 5362758 ZEDFCFHLFVURPT-XQNSMLJCSA-N 382.460 3.809 50 40 GHGB O=C(NN=Cc1ccccc1OC(=O)c1ccccc1)c1ccc2c(c1)COC2 409139629 BRQGLHYHMHJHQS-UHFFFAOYSA-N 386.407 3.700 50 40 GHGB Cc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccc(C(C)(C)C)cc2)cc1 36724726 XRFUATPPSWMCEC-UHFFFAOYSA-N 395.532 3.622 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(I)o1 1211331 GBPCXNYLFZCCNE-FMIVXFBMSA-N 392.196 3.992 50 40 GHGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 59435619 KXHZKZOKDFFUJY-SSDVNMTOSA-N 381.819 3.596 50 40 GHGB COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1O 408859087 SOIAENSAQCBWGB-OCKHKDLRSA-N 389.205 3.673 50 40 GHGB CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)Nc2ccccc2)c1C 409114272 IQGRHWYDVBSPRV-UHFFFAOYSA-N 380.853 3.663 50 40 GHGB COc1cc(NC(=O)C/C(C)=N/NC(=O)C2CCCCC2)c(OC)cc1Cl 100522716 NCHCJOFGLRSWQZ-WSDLNYQXSA-N 395.887 3.758 50 40 GHGB Cc1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 103150567 LPINQMDCTPKXHN-GOSISDBHSA-N 388.452 3.731 50 40 GHGB COCc1ccccc1P(c1ccccc1COC)c1ccccc1COC 100417323 PXSHAUGLLYYOFJ-UHFFFAOYSA-N 394.451 3.884 50 40 GHGB CN(C)c1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1Br 4663393 ACEWBFAQBIXHPF-MDWZMJQESA-N 390.306 3.800 50 40 GHGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)NCCc1c[nH]c2ccccc12 4723201 HBLHCDBXZQZQOU-OQLLNIDSSA-N 394.818 3.995 50 40 GHGB Cc1c(C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)oc2ccccc12 8984332 LXGLCCXULDNILN-LBPRGKRZSA-N 394.456 3.613 50 40 GHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1 408970767 DKAUVZXUAPMNNC-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB COc1cc(OC)c(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1Br 408718974 ZGWLAUVYTGKQCQ-INNGIZOGSA-N 395.297 3.743 50 40 GHGB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(OCCBr)cc1 95992728 MLZDPFBEHBGFJL-UHFFFAOYSA-N 390.686 3.915 50 40 GHGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc2ccccc12 59516303 RNLVDPPJTDDDSQ-WSDLNYQXSA-N 381.819 3.591 50 40 GHGB Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=C(/C#N)C(N)=O 2370722 FBXSAQDUQQDCGF-MNTXUITRSA-N 397.887 3.560 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 6230432 ZZXJSCVRIIKZBW-DTQAZKPQSA-N 387.395 3.730 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C 5211271 PMUGGBUBTGSEKO-OLFUAGFUSA-N 399.535 3.906 50 40 GHGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 409370890 CYVLGQUHLLGONP-KEBDBYFISA-N 392.198 3.678 50 40 GHGB O=C(CCCC[C@H]1CCSS1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217567041 VVHRIXRHAIKLOI-XHSDSOJGSA-N 378.563 3.508 50 40 GHGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2373607 VFRUMLCLMVLELE-FABDANFUSA-N 397.887 3.512 50 40 GHGB O=C(N/N=C/c1ccccc1Cl)c1ccccc1I 668266 TULZOQFWIJOZFO-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2cccs2)n[nH]1 13496223 HHCQZRFAYCXZND-CIAFOILYSA-N 390.472 3.705 50 40 GHGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)c1C 4284134 FJWQDSXTYTZJEL-OQLLNIDSSA-N 382.416 3.615 50 40 GHGB O=C(O)COc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1Cl 408806742 BDVUKFLJDHFSPJ-UWVJOHFNSA-N 382.203 3.612 50 40 GHGB CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 2347551 MWAHWQTUANNCTD-PMIVHWTLSA-N 392.480 3.984 50 40 GHGB N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc(F)cc1 5451245 DIYKTVWUOUJNQH-PFONDFGASA-N 384.842 3.647 50 40 GHGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)o2)c([N+](=O)[O-])c1 409387168 ODEWGIYKONCQMP-NTEUORMPSA-N 392.371 3.924 50 40 GHGB CC(C)n1cc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccc(F)cc2)c2ccccc21 409153271 MLNHBQHQECTTHK-ZWGXDWAISA-N 394.450 3.630 50 40 GHGB CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1cc(C)ccc1C(C)C 4511950 JACVOLCSBXEHNX-LPYMAVHISA-N 399.447 3.954 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2OC)o1 409270351 DMUMFULVEKPOKT-LPYMAVHISA-N 378.384 3.506 50 40 GHGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(N3CCCC3)cc2)c(OC)c1 408870933 WCWIKPYFASVSPF-CPNJWEJPSA-N 391.471 3.527 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 409188899 BWPOOLLVABPHGK-SFQUDFHCSA-N 378.432 3.968 50 40 GHGB CCOc1cc2c(cc1/C=N/NC(=O)Cc1cccc(C(F)(F)F)c1)OCO2 409107205 QZKBLNYVDKVWAR-AUEPDCJTSA-N 394.349 3.526 50 40 GHGB CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H](NC(=O)C(Cl)(Cl)Cl)CO1 195914214 BSVOUTUISUXETR-MNOVXSKESA-N 388.795 3.818 50 40 GHGB O=C(Cl)[C@@]1(Br)CC2c3ccccc3C1([N+](=O)[O-])c1ccccc12 1579003 BFGFQYUKWJLAGS-PDOTXMHQSA-N 392.636 3.955 50 40 GHGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 59444655 VHFPSPJVIJRUII-BUVRLJJBSA-N 387.439 3.663 50 40 GHGB N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 23410780 GDIPTTJBIMTSTF-OQLLNIDSSA-N 394.818 3.995 50 40 GHGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)c1 58911606 UDPAJTSOYPCBJT-ZVHZXABRSA-N 394.519 3.610 50 40 GHGB CCc1sc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)cc1C 12734484 SHWDJLXNFBPUSK-UHFFFAOYSA-N 389.502 3.648 50 40 GHGB CN(NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 7243105 OLLFTZOIRXURJJ-UHFFFAOYSA-N 382.342 3.583 50 40 GHGB CN(CCC#N)c1ccc(/C=N/NC(=O)c2ccc(Br)s2)cc1 7786406 LTOXNLNVNUBHBF-YBFXNURJSA-N 391.294 3.624 50 40 GHGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1ccccn1 7893407 ILCDVURVQZDBNT-LSHDLFTRSA-N 388.258 3.706 50 40 GHGB Cc1ccc(C(=O)NN=C(c2ccccc2)c2ccccc2)cc1S(C)(=O)=O 84188066 YIBNTQUZJZBNCM-UHFFFAOYSA-N 392.480 3.581 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)c([N+](=O)[O-])c2)cc1 20198215 YZAYJZILYZUANN-FYJGNVAPSA-N 385.420 3.935 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)NCc1ccccc1 409107505 WIBRZHFSOODRCL-UNOMPAQXSA-N 391.471 3.527 50 40 GHGB NC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408886410 GWWMTGIESDXMBA-UFWORHAWSA-N 382.645 3.684 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc2c1OCO2 211405665 BMKBQYNNOVEYAM-XGICHPGQSA-N 390.317 3.988 50 40 GHGB Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N32)cc1 12275116 KTLLBZVXIIGHGJ-UWJYYQICSA-N 380.444 3.777 50 40 GHGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(OCCOC)cc2s1 20132754 QHCHZOVLZWJNAD-LLVKDONJSA-N 387.299 3.824 50 40 GHGB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)CCCCl)c1 6263877 QXJQZGIEVHOUJU-UHFFFAOYSA-N 376.309 3.911 50 40 GHGB Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)cc1 12275060 JNKMZEXSXDWIGE-KKSFZXQISA-N 380.444 3.777 50 40 GHGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(C)c2)cc1 704826 RSQGNBYXIQMZEU-BUVRLJJBSA-N 388.423 3.987 50 40 GHGB O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1ccccc1 4814060 JIYZQQNGCKJXCI-CAOOACKPSA-N 398.054 3.681 50 40 GHGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 9110566 HSSVBBKOMWCJQP-CYBMUJFWSA-N 383.498 3.767 50 40 GHGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)COc1cccc2cccnc12 408961371 SGTPBTZRBBJBTD-MFKUBSTISA-N 388.471 3.673 50 40 GHGB N#C/C(=C1/C=CC=CN1CC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 32513862 LIWZUAKPGPVJQI-DYTRJAOYSA-N 382.423 3.926 50 40 GHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 6022547 OUVZWYOPPSBLSV-CIAFOILYSA-N 392.371 3.577 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 6216114 FYILFMBRAQQRGB-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 1810766 CGPOCQXKWZCKPB-UKYUDJEDSA-N 384.461 3.724 50 40 GHGB CCCc1cc(=O)[nH]c(SCC(=O)NN(c2ccccc2)c2ccccc2)n1 13638049 QDNZFJGXYKCYEF-UHFFFAOYSA-N 394.500 3.684 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1 408894809 IZGPWOFWEVJFMI-BUVRLJJBSA-N 388.423 3.987 50 40 GHGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1 409337530 YQHNEIWFUHHHDZ-KQWNVCNZSA-N 380.444 3.650 50 40 GHGB COc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(Cl)cc32)c(OC)c1 48987427 OKZVPPWVSXAORC-UHFFFAOYSA-N 376.821 3.648 50 40 GHGB CCOC(=O)/C(C#N)=C(/SC)C1=C([C@H](C#N)C(=O)OCC)CCCCC1 5717224 LMYJCZWXFIKYIG-MWWIPNPYSA-N 376.478 3.654 50 40 GHGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N/NC(=O)c1ccccc1[N+](=O)[O-] 14923422 RCOPSOMEOGKQFD-NHDPSOOVSA-N 388.811 3.691 50 40 GHGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1O 106068582 NCCLMCFOYFLBKT-GQNMFNQTSA-N 395.297 3.830 50 40 GHGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)NCc1ccco1 13942822 KFDXCHNMLXVZBK-GDNBJRDFSA-N 390.355 3.598 50 40 GHGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(N)=O)cc1 4424617 VZELJQIOTAQZFU-XUMLYMLNSA-N 397.887 3.560 50 40 GHGB COCc1cc(/C(C)=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1O 7986052 NQZMSYRBVXAORW-XQNSMLJCSA-N 384.476 3.890 50 40 GHGB COC(=O)N/N=C/c1ccc(OCCCOc2cc(C)cc(C)c2)c(OC)c1 9434525 GKWPOPDVLATLBW-HYARGMPZSA-N 386.448 3.850 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408895624 NSIJJOBSQVGBIN-UUILKARUSA-N 385.763 3.831 50 40 GHGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccccc1 3132086 LIOQCTTVNWEFIH-DEDYPNTBSA-N 388.265 3.708 50 40 GHGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/C=C/c1ccccc1 3170358 LKGLKTDFECSSIH-VFPQBDHRSA-N 397.478 3.750 50 40 GHGB CC[C@H](Br)C(=O)Nc1nc2ccc(O[C@@H](C)COC)cc2s1 20132458 RYDIZHZDGIREOX-ONGXEEELSA-N 387.299 3.822 50 40 GHGB O=C(CCl)N1C(=O)NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O 1561328 HGTNLPYTLOAETG-UHFFFAOYSA-N 397.645 3.554 50 40 GHGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)cc(C)c2O)c(C)c1 13945559 PMUGGTWJZNDSCR-UKWGHVSLSA-N 391.265 3.609 50 40 GHGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 4739169 NPVJAFHUIODYCP-LPYMAVHISA-N 392.415 3.775 50 40 GHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(C)c2C)c(C#N)c1C 408547433 WWDDAYRXXCPAKF-LZYBPNLTSA-N 395.484 3.779 50 40 GHGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408800391 OUPNWJBMMOBJDW-XNTDXEJSSA-N 381.388 3.938 50 40 GHGB O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cncc(Br)c1 816706 UGQWTMRZFFTAAR-DNTJNYDQSA-N 389.640 3.810 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)cc1 2309656 KANAEYHUGDIZTC-KRWDZBQOSA-N 395.459 3.845 50 40 GHGB Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)CCl)[C@H]2C(C)C)cc1 4778716 PCVMTNOXAZTDHC-LJQANCHMSA-N 392.908 3.758 50 40 GHGB C/C(=N\NC(=O)c1ccccc1N)c1ccc(NC(=O)Cc2ccccc2)cc1 15934571 FFWKRTYHFBNZOL-WGOQTCKBSA-N 386.455 3.604 50 40 GHGB CCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)c1ccccc1 97994178 WOALHKCIYDGCCT-STZPCZCHSA-N 391.471 3.644 50 40 GHGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 409105909 PEOARKQBYAJNBS-CIAFOILYSA-N 378.259 3.594 50 40 GHGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1 409022072 DKMFLTBBDAWZME-FBHDLOMBSA-N 388.807 3.876 50 40 GHGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2=O)cc1C 409160936 YFDXMKXVPJHEDJ-FINLKQIMSA-N 377.488 3.930 50 40 GHGB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)CCCCCl)c1ccccc1 97165059 MVABASSCZXLGDA-OAHLLOKOSA-N 394.924 3.938 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 6169959 GVQOMPABNFKPJD-CIAFOILYSA-N 395.371 3.636 50 40 GHGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(N2CCCC2)cc1 7385688 YWDAQCUQXSYKJS-UDWIEESQSA-N 388.265 3.519 50 40 GHGB CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCl 732540 XJWNMUZWBARGKZ-UHFFFAOYSA-N 376.840 3.914 50 40 GHGB N#C/C(=C\c1ccccc1I)c1nnc2n1CCCCC2 4176428 ZMZATLAKCMHOOR-JLHYYAGUSA-N 390.228 3.673 50 40 GHGB CCCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2Cl)c2ccccc21 46084963 FRLRQAGENGEDQX-GFMRDNFCSA-N 399.878 3.776 50 40 GHGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(N)=O 5863057 BUXMXZBXFYJAEV-NTUHNPAUSA-N 375.197 3.559 50 40 GHGB CCOC(=O)/C(C#N)=C\c1ccc(Oc2nc(Cl)ncc2F)c(OCC)c1 2310159 MRIXRQJENDOGFA-GHXNOFRVSA-N 391.786 3.930 50 40 GHGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc3ccccc3c2)cc1 100923007 DYWHFOCEFMCCIJ-BUVRLJJBSA-N 375.428 3.983 50 40 GHGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1cccc(Br)c1)Nc1ccccc12 2317250 PGXLWKFGFMXMRQ-QGZVFWFLSA-N 390.244 3.907 50 40 GHGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 6295405 OTUJZMJBJUMCHT-RGVLZGJSSA-N 391.652 3.878 50 40 GHGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 207036745 SEYPBLPWMMDDEB-QPEQYQDCSA-N 381.270 3.678 50 40 GHGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)c1 5160835 MYEICCSKSUHXDY-MRXNPFEDSA-N 378.819 3.957 50 40 GHGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)c(F)c1 408967066 PARSTVLTGXBKOB-MZJWZYIUSA-N 398.397 3.912 50 40 GHGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Cl 408852420 KSPSFIOEVHZJHQ-SSDVNMTOSA-N 382.803 3.721 50 40 GHGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(N)=O 408877960 YZKAZXICJOBHAJ-NTUHNPAUSA-N 375.197 3.559 50 40 GHGB O=C(N/N=C\c1cc(Br)cs1)c1cc2cc([N+](=O)[O-])ccc2o1 408904736 NUARXZGCIOCKHP-SOFYXZRVSA-N 394.206 3.929 50 40 GHGB Cc1n[nH]c2c1[C@@H](c1ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2 5941112 YVQISVXQQWXCGU-MRXNPFEDSA-N 397.778 3.758 50 40 GHGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 20238171 KWMHOJCOCZNXAL-INIZCTEOSA-N 398.488 3.942 50 40 GHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 3085605 QGGLLXYEWLKQEG-WSDLNYQXSA-N 398.802 3.681 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)cc1 3248471 PKOKRLMVDFPMAF-MRXNPFEDSA-N 395.459 3.845 50 40 GHGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(C)=O)c1 59417197 FGGADZCPBQCZST-ZVBGSRNCSA-N 397.309 3.885 50 40 GHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1c(F)c(F)c(F)c(F)c1F 5769845 ZVYJAUDHOYVXIK-RREIPUBJSA-N 378.684 3.565 50 40 GHGB CCOc1ccc(/C(C)=N/NC(=O)CNc2ccc(Cl)cc2)cc1[N+](=O)[O-] 409364771 PGNLCPQNZCICQX-CIAFOILYSA-N 390.827 3.599 50 40 GHGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 408744201 JOGFODWBGBPPRU-KAMYIIQDSA-N 382.217 3.897 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 12571730 OFLRNQZETPQNJS-SRZZPIQSSA-N 397.258 3.930 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OC 6844992 LCWGGSGGCHFXTK-VXLYETTFSA-N 377.238 3.539 50 40 GHGB Cc1cccc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 8707468 BMOYDFCBLYENGH-SOFGYWHQSA-N 379.243 3.541 50 40 GHGB Cc1cccc(OCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)c1 4508443 KMTWOZBNUKNRLN-LFVJCYFKSA-N 375.428 3.612 50 40 GHGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)NC(N)=O 409230994 APKRQFJZSFPCRL-QPEQYQDCSA-N 390.226 3.674 50 40 GHGB O=C(CSc1ccc(/C=N/NC(=O)c2ccccc2)o1)Nc1ccccc1 1051631 XXTXIZFUHZGYRU-FYJGNVAPSA-N 379.441 3.774 50 40 GHGB N#C/C(=C\N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 30791212 WKOSZVVGXZCQRN-FBMGVBCBSA-N 380.879 3.504 50 40 GHGB CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(N(C)CCCl)cc3)C(=O)O2)cc1 666583 IJILVHFEQKRJDE-CPNJWEJPSA-N 397.862 3.665 50 40 GHGB CCOc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)ccc1O 655436 FFBVDUSVLYFQNT-KEBDBYFISA-N 378.881 3.828 50 40 GHGB O=C(CCCSc1nc2ccccc2[nH]1)NNC(=O)c1cccc(Cl)c1 3444105 LSUYQNPMDIPURY-UHFFFAOYSA-N 388.880 3.550 50 40 GHGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cccc([N+](=O)[O-])c1 408891058 KPJYYOBRKFQIOL-IZZDOVSWSA-N 388.177 3.609 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1 409067812 ZQHJDEZMJOPOTG-FOKLQQMPSA-N 384.798 3.754 50 40 GHGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(I)o1)c1ccccc1 408806582 FNLHYNSKGIOFMU-VSXLWIIGSA-N 392.196 3.669 50 40 GHGB CC(C)Oc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 33301421 ATICDNXIRWVCNN-UQQQWYQISA-N 388.467 3.860 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c(O)c1 409390991 GOUAAPQCCIDSHH-OEAKJJBVSA-N 376.412 3.744 50 40 GHGB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(cccc4c2)C(=O)OC3=O)cc1C 104868457 QVDSWWZODDISMI-UHFFFAOYSA-N 395.436 3.876 50 40 GHGB CCOc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC(F)F 1003586 MTLRYKDUSVRTRS-HNNXBMFYSA-N 376.359 3.501 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)O 59335663 BKJFLLCMKLFNBU-PDGQHHTCSA-N 376.412 3.733 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccccc1 409106910 PDIHRWAPYOSNDI-ATVHPVEESA-N 377.444 3.850 50 40 GHGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCC(C)C)cc2)cc1 408807438 CLQBPXFGQQWIMW-XDHOZWIPSA-N 391.471 3.692 50 40 GHGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)cc1 30820834 LKTBXNPNUJGCRE-LQFJMUIISA-N 385.420 3.646 50 40 GHGB COc1ccc([C@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)Nc2ccccc23)cc1 3227193 CHMPUYFUQCWEIU-SFHVURJKSA-N 386.333 3.843 50 40 GHGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(C)C)c2C)cc1 2654793 LJCRCRXUGXAQNY-XDHOZWIPSA-N 379.460 3.702 50 40 GHGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2375341 YJNCDEXYTAOKBL-PBEQFFAXSA-N 397.887 3.512 50 40 GHGB CCOc1ccccc1/C=N\NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1 13940719 OCHXNILWTCMJSV-YTLMXASBSA-N 382.460 3.673 50 40 GHGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)cc1OCc1ccccc1 6565157 UWTBKHAMGFSGJB-LJQANCHMSA-N 388.427 3.524 50 40 GHGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CCc2ccccc2)o1 409047321 MGFIYBNOEAJVHU-HYARGMPZSA-N 393.399 3.946 50 40 GHGB Cc1c(Br)cc(/C=N/NC(=O)c2cccnc2)cc1Br 409039501 WSXXCDLAYPPWDR-CNHKJKLMSA-N 397.070 3.679 50 40 GHGB C=CCc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(OC)c1O 408969863 VUHPVXRBZNQFIE-WSDLNYQXSA-N 380.400 3.648 50 40 GHGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(I)o2)cc1 1106589 WRHKWRSMJYWYHG-VCHYOVAHSA-N 396.228 3.946 50 40 GHGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1c[nH]c3ccccc13)CO2 1296498 VUHUEVQPCUFNQB-VWXZLZIGSA-N 377.444 3.756 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1O 5173920 WQPRYDZZIVRMPW-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccncc2)sc2c1CCCC2 2708511 DVUHINRIBUREBG-SDNWHVSQSA-N 381.457 3.744 50 40 GHGB Cc1cc2c(c(=O)n1Cc1cccs1)[C@@H](c1cccs1)C(C#N)=C(N)O2 1262516 OUJNTKNRISARSU-MRXNPFEDSA-N 381.482 3.546 50 40 GHGB O=C(Cc1ccccc1)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12941430 RVFPUIOUMNOWES-NRFANRHFSA-N 376.481 3.910 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(C)nc3)o2)cc1 4724839 ODZLIJCWGKEMNA-QRVIBDJDSA-N 377.400 3.591 50 40 GHGB O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C\c1cccc([N+](=O)[O-])c1 32701885 OOCNGMULJQGFJD-HAHDFKILSA-N 390.443 3.969 50 40 GHGB COC(=O)c1cc(C(=O)CBr)ccc1OCc1ccc(OC)cc1 85397480 QDRPSRMBKUGZAQ-UHFFFAOYSA-N 393.233 3.638 50 40 GHGB O=C(NCc1ccco1)[C@H](Br)[C@H](Br)c1ccccc1 2886635 NLEPEARTWRBPDO-CHWSQXEVSA-N 387.071 3.796 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)C 59297445 VMOIRFLYPDUAPQ-OQLLNIDSSA-N 381.388 3.936 50 40 GHGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 59435618 WQFXRWYBPWONPC-SSDVNMTOSA-N 381.819 3.596 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 59145581 ZLBSCSCNELBDRC-KPKJPENVSA-N 387.779 3.898 50 40 GHGB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NNc3cccc(Cl)c3)C2)c1 45080658 VNPYCXLXPGKBEH-MRXNPFEDSA-N 385.895 3.952 50 40 GHGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)cc1 409137620 WHVNWWQRXIORNE-OAHLLOKOSA-N 381.457 3.553 50 40 GHGB Cc1ccccc1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 2334783 OMISJANQCOPYOY-WSDLNYQXSA-N 382.851 3.672 50 40 GHGB N#C/C(=C/c1ccc(I)o1)Cn1cnc2ccccc21 408691708 MYIJLRPPZLVGFL-XFFZJAGNSA-N 375.169 3.841 50 40 GHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc(C(C)C)cc1 5576034 IVIZVNPLSWMLHK-YDZHTSKRSA-N 392.459 3.539 50 40 GHGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 5726797 XKBGPOLYTZWTDX-KJPLNJQOSA-N 381.432 3.852 50 40 GHGB CCc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 96310776 IKWOSGWIFUPPKW-CXUHLZMHSA-N 386.411 3.913 50 40 GHGB COc1ccccc1-c1cc(C(=O)NN=C2CCN(C)CC2)c2ccccc2n1 55082690 FYXKJEWGZMTBPL-UHFFFAOYSA-N 388.471 3.722 50 40 GHGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)CNC3CCCCC3)c2C)c(C#N)c1C 409385748 IQFLWMNTCZSCLT-BRJLIKDPSA-N 395.507 3.548 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 408791390 WYEACXDCERMDMX-LDADJPATSA-N 378.428 3.791 50 40 GHGB CS(=O)(=O)c1ccc2nc(/N=C(O)/C(C#N)=C/c3ccc(O)cc3)sc2c1 41120815 ZKMCHUZWNINENI-XYOKQWHBSA-N 399.453 3.601 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 5334477 SXBHKQOLFKAMOZ-VXLYETTFSA-N 380.673 3.932 50 40 GHGB COc1cc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)ccc1O 6746277 IKJDLTQLRCWUAJ-MRXNPFEDSA-N 393.468 3.620 50 40 GHGB CCCOc1ccccc1/C=N\NC(=O)c1cc(Br)ccc1O 408604582 VMSLQTNVDWGQPD-ODLFYWEKSA-N 377.238 3.707 50 40 GHGB CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCc1ccccc1 38201042 HGZRZPGNUNXFRS-OYKKKHCWSA-N 375.428 3.823 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(SCCO)c([N+](=O)[O-])c2)cc1 32124559 ONKARAJQZOMMIZ-GDNBJRDFSA-N 383.429 3.533 50 40 GHGB N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1 5604395 NWGBPCLASWEUOS-GJYPPUQNSA-N 384.361 3.875 50 40 GHGB O=C1c2cccc3c(NC[C@H](O)CCl)ccc(c23)C(=O)N1c1ccccc1 3131364 PTMMHJMONMETLT-CQSZACIVSA-N 380.831 3.652 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2C)o1 9201061 VZFKUFSMOPUTIX-CIAFOILYSA-N 379.372 3.936 50 40 GHGB N#C/C(=C\c1c[nH]c2ccc(Br)cc12)C(=O)NCc1cccnc1 6423021 ROHCDQCTRRHLSY-AWNIVKPZSA-N 381.233 3.549 50 40 GHGB CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)c2ccc(F)cc2Br)C1(C)C 84671062 PYMUPPBUUPZHOX-JSGCOSHPSA-N 383.261 3.588 50 40 GHGB C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409145633 QMRFBWGIGFAQIR-GOSISDBHSA-N 399.878 3.643 50 40 GHGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 2163254 OVDWAXMSQYEQBM-UHFFFAOYSA-N 375.812 3.621 50 40 GHGB C/C(=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1)c1ccccc1O 100922984 QVWWBVCXQCKJGN-QRVIBDJDSA-N 378.476 3.737 50 40 GHGB Cc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)o1 2754758 AVEKPNDGJVACPQ-CIAFOILYSA-N 392.371 3.512 50 40 GHGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1Cc1ccccc1 108021269 YELIRPGIIIBEHE-UCQKPKSFSA-N 390.443 3.754 50 40 GHGB CN1C(=O)/C(=N/NC(=O)COc2ccc(C3CCCCC3)cc2)c2ccccc21 103725437 HKTMRHITLJWXHR-YYDJUVGSSA-N 391.471 3.610 50 40 GHGB C/C(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)=N\NC(=O)c1ccc(C)cc1 4691000 FMEYDYYCZWMZKW-CIAFOILYSA-N 388.811 3.691 50 40 GHGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 4702569 KUCFTOSQOIGEOY-FSJBWODESA-N 379.803 3.718 50 40 GHGB O=C(NNC(=O)c1ccc(-n2cccc2)cc1)Nc1ccccc1C(F)(F)F 17079235 VSUJJJAQPCGBBC-UHFFFAOYSA-N 388.349 3.963 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CNc2ccccc2)o1 409377055 FSKPGKXZQRASPR-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC 408800031 MYOPDHORCXIKDU-DYNVFCCOSA-N 386.448 3.832 50 40 GHGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1O 408820515 WRUNHXLKEUNMRI-OCKHKDLRSA-N 389.205 3.673 50 40 GHGB O=C(CCCC[C@H]1CCSS1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 85879580 VVHRIXRHAIKLOI-PMPSAXMXSA-N 378.563 3.508 50 40 GHGB biogenic O=C(NNc1nc(-c2ccccc2)no1)C1(c2cc(F)cc(F)c2)CCCC1 1146977915 HEDUUADFGZITNA-UHFFFAOYSA-N 384.386 3.970 50 40 GHGB COCCn1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C 20885089 QWHZOONNWQZDBT-BUVRLJJBSA-N 392.503 3.923 50 40 GHGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3cccnc3)cc2)n1 2629802 GSDRNLRVUUWQAW-WSDLNYQXSA-N 377.473 3.545 50 40 GHGB C/C(=N/NC(=O)c1ccc(C)c(C)c1)c1ccc(NC(=O)C(F)(F)F)cc1 17077150 JXAURXNJMJKQEA-CFRMEGHHSA-N 377.366 3.958 50 40 GHGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(I)o1 408745214 QHRVTSJOYOUOJM-FLIBITNWSA-N 378.169 3.738 50 40 GHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1 409106793 PDEZOOANIPNQNA-VXLYETTFSA-N 393.852 3.889 50 40 GHGB N#Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)cc2)cc1 409193622 IASPIDSEFCHCGX-PVPASAESSA-N 394.434 3.895 50 40 GHGB CCn1c(C)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 409073295 GTKMBCQAPFVBDU-LFVJCYFKSA-N 375.472 3.511 50 40 GHGB O=C(NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1 409219016 MHUUADAJGHRVFI-UHFFFAOYSA-N 393.830 3.667 50 40 GHGB Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C\c1cc(Br)ccc1O 54290535 HMIKLTZFXCEORD-JMIUGGIZSA-N 399.248 3.617 50 40 GHGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152055 UWWMESDNHGOYNW-NTEUORMPSA-N 377.425 3.742 50 40 GHGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)N3CCOCC3)cc21 208247123 JBERGFHRDKBGKL-CIKBWMHTSA-N 387.911 3.828 50 40 GHGB CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl 3885220 NKSONIUMPUUEIL-UHFFFAOYSA-N 387.288 3.733 50 40 GHGB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@H](Cl)[C@@]2(O)C1 4025996 DNJABCBTMIQRHM-YULJHOCLSA-N 382.928 3.862 50 40 GHGB biogenic COc1ccc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc1Cl 408770784 AMROXTTXZCDNOE-ZIPLRQNDSA-N 377.835 3.556 50 40 GHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(F)cc2)cc1 33910608 AIUQIOOARIVNTB-ZVHZXABRSA-N 391.402 3.851 50 40 GHGB CCOc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 4357981 YZGYFYCFZGXWGT-MFKUBSTISA-N 399.450 3.704 50 40 GHGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(F)c1 5128154 QQIRINDJYBZWIV-SSDVNMTOSA-N 380.335 3.685 50 40 GHGB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCc3ccccc31)[C@H](Br)C2=O 100868297 BDPMIAFJICJNFN-NIKGAXFTSA-N 376.294 3.735 50 40 GHGB O=C(N/N=C/c1ccccc1Cl)c1cccc(I)c1 705243 ARUKMZXNFOGCJN-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB Cc1cccc(C)c1NC(=S)NNC(=O)CSc1nc2ccccc2o1 3306934 UTLHADIIOBWFSD-UHFFFAOYSA-N 386.502 3.555 50 40 GHGB CS(=O)(=O)N(Cc1ccc(C(=O)NN=C2CCCCC2)cc1)c1ccccc1 5880683 ITUUYJYLECEBTG-UHFFFAOYSA-N 399.516 3.703 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1C#N 408774264 UEWARGWVPCBSQC-JAIQZWGSSA-N 389.455 3.968 50 40 GHGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)o1 409236622 SIYWUDBYJOEWJS-FMCGGJTJSA-N 380.375 3.785 50 40 GHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(F)cc1 409340609 ADYCZKSCIACEIN-AFUMVMLFSA-N 375.403 3.553 50 40 GHGB COc1cc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)ccc1O 245238508 RWDODPKSDDBAHH-UHFFFAOYSA-N 391.471 3.775 50 40 GHGB COc1cccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)c1O 5514855 MCUMQGJHRWVCAM-WSDLNYQXSA-N 380.469 3.938 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(OC)cc2nc1Cl 1223588 MJKWFLAZFVYRBT-QGZVFWFLSA-N 399.834 3.542 50 40 GHGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC 408803026 KMLBGJVJNXTGIW-GXDHUFHOSA-N 384.363 3.915 50 40 GHGB N#CC(C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2)=C1Nc2ccccc2N1 6430287 OTIXHQFLOTZPER-UHFFFAOYSA-N 391.471 3.978 50 40 GHGB CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]n1 4816101 ZHQWELJXLCWAIW-RGVLZGJSSA-N 381.392 3.639 50 40 GHGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccs2)cc1OC 5512526 IZSVACSIIHNQNE-VCHYOVAHSA-N 395.278 3.848 50 40 GHGB N#C/C(C(=O)NC1CCCCC1)=C1/N=C(NC(=O)c2ccccc2)c2ccccc21 6814070 SJLSHAPFGLJXTK-MRCUWXFGSA-N 398.466 3.560 50 40 GHGB COc1ccc(NC(=S)NNC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 408585042 AZQGVWCGLLOHMW-UHFFFAOYSA-N 394.500 3.734 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCC#N 408786130 MSCOCEZHLQZVEF-BOPFTXTBSA-N 391.427 3.930 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(OC)c1O 408789802 LRUQVNJCOPVROS-NVNXTCNLSA-N 382.416 3.742 50 40 GHGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccs1 408978754 JUGOSQCBHOIIIX-OMNSNBSWSA-N 377.469 3.760 50 40 GHGB CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccccc1OC 409009446 GABKGBTXMYTURC-UHFFFAOYSA-N 377.400 3.542 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c(O)c1 409391279 IVZWDBICURLAIV-YDZHTSKRSA-N 377.444 3.881 50 40 GHGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2OCC)[C@@H](C#N)C(O)=N1 2292020 KRXRGLBHTVKRKC-RDTXWAMCSA-N 399.472 3.700 50 40 GHGB N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccc2c(c1)OCCO2 3617707 KBECPXXXJCMGBB-JXMROGBWSA-N 391.246 3.827 50 40 GHGB COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409231881 LLEBMGGVRPHHOV-UKWGHVSLSA-N 399.647 3.943 50 40 GHGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)o2)c1C 408592083 XLTMPSKJEKMDJF-YDZHTSKRSA-N 393.443 3.936 50 40 GHGB O=C1[C@@H](Br)[C@H]2CC(CBr)C[C@H](C2)[C@H]1Br 4769742 NIGHUSUWVGGZII-UOYLCJFLSA-N 388.925 3.524 50 40 GHGB CCOc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1OC 11296450 VFKJOBYZONGKNG-RVDMUPIBSA-N 388.431 3.669 50 40 GHGB Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1cc(Br)ccc1O 1831733 HMIKLTZFXCEORD-KEBDBYFISA-N 399.248 3.617 50 40 GHGB Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 20662211 OVSASVFWIOVSBI-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)cc1 1242150 WRFVEOLENJBJFD-IBGZPJMESA-N 378.382 3.986 50 40 GHGB CCOc1ccc(OCC)c(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c1 38654525 XMSCRYCORAYQGQ-UHFFFAOYSA-N 388.420 3.913 50 40 GHGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(C)C 409128913 JIKDVVJKJUYPDQ-FQEVSTJZSA-N 382.460 3.935 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccccc2I)cc1C 408567372 MFHWRPPIEDUEBC-YBFXNURJSA-N 392.240 3.601 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 5638637 NGRQNAICWJKWIA-UDWIEESQSA-N 391.265 3.549 50 40 GHGB O=C(CSCc1ccccc1)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 5338340 XPJNCKUOVRLWQJ-FYJGNVAPSA-N 394.456 3.769 50 40 GHGB COc1ccc(SCC(=O)N/N=C/c2ccc(N3CCCC3)c(C)c2)cc1 59104205 FKRJHOPQAXLKBZ-HYARGMPZSA-N 383.517 3.846 50 40 GHGB CC1(C)[C@]2(C(=O)N3CCc4ccccc43)CC[C@@]1(C)C(=O)[C@H]2Br 4185844 BDPMIAFJICJNFN-MDASCCDHSA-N 376.294 3.735 50 40 GHGB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNc1c(F)c(F)cc(F)c1F 7015628 DKESKHFVJPQQFU-QLJPJBMISA-N 397.372 3.531 50 40 GHGB O=C(CSCc1c(Cl)cccc1Cl)NN=C1C(=O)Nc2ccccc21 409114933 FFXHNDDKGUIISK-UHFFFAOYSA-N 394.283 3.699 50 40 GHGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(N2CCCC2)o1 408855664 FXRQNZDWOQGWOI-ODLFYWEKSA-N 386.502 3.732 50 40 GHGB O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(OC[C@H]2CCCO2)cc1 2635437 SLAAKOMWPSKLIB-GFCCVEGCSA-N 384.329 3.558 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3C)c2C)c1 9201485 QBAKSXIFUFPNRO-ZVHZXABRSA-N 389.455 3.953 50 40 GHGB N#CC(C(=O)COC(=O)c1cc(F)c(F)cc1Cl)=C1Nc2ccccc2N1 2725811 GWPLNFKJKLYIBQ-UHFFFAOYSA-N 389.745 3.617 50 40 GHGB Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(C#N)cc3)c2)cc1 1434595 NQFMINOKBWNGQG-MFKUBSTISA-N 382.423 3.883 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1OC 12462536 NWCRHCHMUBHHPO-NDENLUEZSA-N 384.461 3.618 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 6189232 MOOFZIWEOIZAAP-QJOMJCCJSA-N 376.460 3.711 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 6545792 GDGSHJPSCNSYKJ-OEAKJJBVSA-N 377.444 3.875 50 40 GHGB COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1OC 829301 AMLAUMYDVIGXLI-UDWIEESQSA-N 378.881 3.990 50 40 GHGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CCSc1ccc(Cl)cc1 6646036 QMKWKUCCZPKOLX-YBFXNURJSA-N 393.852 3.889 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 20764283 XBAUKBBZKJFAOE-LPYMAVHISA-N 378.384 3.807 50 40 GHGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br 408752670 JEHMZHFPJFXQHG-NTEUORMPSA-N 385.217 3.920 50 40 GHGB O=C(CCc1ccccc1)NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 788180 MVKALUYYVCUZDP-JOCHJYFZSA-N 384.479 3.773 50 40 GHGB O=[N+]([O-])c1ccc(S(=O)(=O)N(CCCBr)c2ccccc2)cc1 1745803 XJYQUKYJOXSUID-UHFFFAOYSA-N 399.266 3.575 50 40 GHGB N#C/C(C(=O)COc1ccc(-c2ccccc2)cc1)=C1\NN=C2CCCCCN21 105451104 HVADDSKRASLLKC-ATJXCDBQSA-N 386.455 3.829 50 40 GHGB CN(C)c1ccc([C@@H](C[N+](=O)[O-])P(=O)(OCCCl)OCCCl)cc1 3011967 KQHNBNWEZOEGLP-CQSZACIVSA-N 399.211 3.774 50 40 GHGB O=C(NNc1ccccc1C(F)(F)F)c1cccc(NC(=O)[C@H]2CCCO2)c1 12924232 QHWUHTWKDCKTGO-MRXNPFEDSA-N 393.365 3.580 50 40 GHGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 408945644 XFVDVSDWUBXJMI-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc(I)c1 408720703 CMMIRSIYTPNRIY-SUBNYSPWSA-N 382.245 3.568 50 40 GHGB Cc1cccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1 409216968 MSFXPUGCAIJAOP-UUYOSTAYSA-N 376.372 3.854 50 40 GHGB CCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 17081315 FIWCEAAVUVQOHT-QGZVFWFLSA-N 397.519 3.910 50 40 GHGB C/C(=N\NC(=O)Cn1c(C)nc2ccccc21)c1cccc(Br)c1 33042802 WATWNDQQYFAPAA-CIAFOILYSA-N 385.265 3.648 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c(C)o1 40128817 HYLJDGKVIMCWCC-UHFFFAOYSA-N 395.371 3.672 50 40 GHGB Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(N)=O)c1 2336704 DXIPXONRVIERMR-MNTXUITRSA-N 397.887 3.560 50 40 GHGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1 6477711 BTALEVSDWQDIDE-OAHLLOKOSA-N 395.459 3.845 50 40 GHGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2OC)cc1 409230789 GORIZHCUZFEILB-RGEXLXHISA-N 391.471 3.640 50 40 GHGB O=C(N/N=C/c1ccc(I)cc1)c1ccccc1Cl 408590957 RMADYLFBBHEUIA-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(N)=O 408988859 GEGUXWFMXTWDCB-YRNVUSSQSA-N 382.426 3.748 50 40 GHGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 409363985 VEUKUDCIALMFRU-AFUMVMLFSA-N 377.419 3.967 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC(C)C)cc1 216068139 ANNNDQBRIONARI-FYJGNVAPSA-N 385.420 3.935 50 40 GHGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCc1ccccc1)[C@H](Br)C2=O 100834625 NTRRARPDJGNCRG-CCKFTAQKSA-N 378.310 3.504 50 40 GHGB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)c1ccccc1O 7950447 HADGTVSELKHTLH-SSDVNMTOSA-N 382.851 3.671 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccc(O)c2)ccc1OCc1ccccc1 89429259 CPZAHPLSABFRHE-OEAKJJBVSA-N 376.412 3.744 50 40 GHGB O=C(N/N=C\c1ccc(Br)s1)c1cc2cc([N+](=O)[O-])ccc2o1 408904290 HMWPPQSHHUANMK-APSNUPSMSA-N 394.206 3.929 50 40 GHGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)c1 408744911 IBZUBKGDYGLEOP-FLIBITNWSA-N 378.169 3.738 50 40 GHGB CC(C)OC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(N)O1 66089412 ULLKXCNXRLCCBZ-SFHVURJKSA-N 388.423 3.583 50 40 GHGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 2417957 WBSKOWOQWQVMBL-ACCUITESSA-N 395.802 3.610 50 40 GHGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OC 6959062 SRYYVOSENOASMS-UDWIEESQSA-N 391.265 3.549 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1 59503463 HKHWTDDLPZRGRQ-BUVRLJJBSA-N 376.460 3.610 50 40 GHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CNc1cccc2ccccc12 5448044 NFBDPUWWKMRXFI-AFUMVMLFSA-N 399.454 3.602 50 40 GHGB CCN(CC)c1ccc(C(=O)NNC(=O)CSc2cc(C)ccc2C)cc1 5689831 DKIDBWZIBGTEQB-UHFFFAOYSA-N 385.533 3.703 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)c(C)c1 66255780 PAVAWPDIPCDFRY-PDGQHHTCSA-N 379.435 3.825 50 40 GHGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408985447 KQTRILWWRDHFNC-DHDCSXOGSA-N 384.819 3.746 50 40 GHGB COc1cccc(CC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408959793 GATODOJZWPTPLI-QRVIBDJDSA-N 392.411 3.655 50 40 GHGB O=C(N/N=C/c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1O)c1cccs1 32119158 GZHAYWXMSDFGPR-UDWIEESQSA-N 381.413 3.717 50 40 GHGB O=C(CCCNC(=O)c1cccs1)NN(Cc1ccccc1)c1ccccc1 32714800 BKCIFPGMLRYJNP-UHFFFAOYSA-N 393.512 3.996 50 40 GHGB CC(C)c1c(C(=O)NNC(=O)c2ccccc2Cl)cnn1-c1ccccc1 40068031 JRTJQTBDNYQTRO-UHFFFAOYSA-N 382.851 3.724 50 40 GHGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccc2c(c1)OCO2 5605129 FHCNJBGQLVYUOT-SSDVNMTOSA-N 378.453 3.952 50 40 GHGB CCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 3080557 QLIXPHNMNJLWDA-KGENOOAVSA-N 382.420 3.878 50 40 GHGB Cn1c(/C(C#N)=C/c2ccc(I)o2)nc2ccccc21 4032214 NNXCAPOGWWAFGQ-CSKARUKUSA-N 375.169 3.835 50 40 GHGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 20238174 KWMHOJCOCZNXAL-MRXNPFEDSA-N 398.488 3.942 50 40 GHGB C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 6455180 AHAJEAWLHQRNMN-INMHGKMJSA-N 383.517 3.548 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1ccc([N+](=O)[O-])cc1 6961874 RGJVQELFLHNWAP-UDWIEESQSA-N 382.445 3.757 50 40 GHGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914472 IRUNENSJLXLEOW-JMIUGGIZSA-N 382.247 3.572 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c(C)c1 27842416 CIBJAKCPPVIIFJ-FSJBWODESA-N 396.878 3.980 50 40 GHGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(C(F)(F)F)c1 408719591 YBOPIRVIOGCSFL-ZVBGSRNCSA-N 397.378 3.997 50 40 GHGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(Br)cc1)Nc1ccccc12 2257302 MTSKAOKUDRLMGT-KRWDZBQOSA-N 390.244 3.907 50 40 GHGB Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1ccc(OC(C)C)cc1 12742271 LICTYKOWUYDPOI-UHFFFAOYSA-N 399.472 3.502 50 40 GHGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 4600101 JCFITMGMUPFRJC-IZZDOVSWSA-N 377.278 3.865 50 40 GHGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)c1C 66255761 VJFYJGDHKXMVKW-PDGQHHTCSA-N 379.435 3.825 50 40 GHGB CCOc1cc(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1O 409191742 MCGKOYDUMWRZHT-GHXNOFRVSA-N 379.254 3.519 50 40 GHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 408861328 QMKHNFLAAZETFB-WSDLNYQXSA-N 388.851 3.824 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCC(=O)OC 408806565 BHXHSNRRCRYVOL-ATVHPVEESA-N 394.402 3.652 50 40 GHGB O=C([C@@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1)N1CCCCC1 15473761 SXJUMOZVXRUABI-IOFSEFHDSA-N 395.547 3.577 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)cc2nc1Cl 925146 YPPHUEAQKGXVFQ-QGZVFWFLSA-N 383.835 3.841 50 40 GHGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3Cl)c21 985814 FRQQEIDMPYKFDU-INIZCTEOSA-N 378.819 3.957 50 40 GHGB Cc1cc(OCC(=O)N/N=C/c2cc(O)ccc2Br)ccc1Cl 5379177 QREFNPKBGMIMOO-UFWORHAWSA-N 397.656 3.646 50 40 GHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(O)ccc2Br)c1C 18210744 SAMUNQPQFOWCBJ-AWQFTUOYSA-N 391.265 3.609 50 40 GHGB COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1F 7642219 XDKNMLDMTGKRIC-UHFFFAOYSA-N 388.395 3.777 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(C)c1 20194331 KCQOJXZHQSKWGB-YDZHTSKRSA-N 376.412 3.954 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1Br 408741871 OFCJOJUYTQEVLL-RGVLZGJSSA-N 377.213 3.917 50 40 GHGB CCOc1ccc(NC(=O)C(=O)N/N=C(\C)c2ccc3ccccc3c2)cc1 5953644 BZCAVNPPEZCKQQ-BUVRLJJBSA-N 375.428 3.717 50 40 GHGB CN(C)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 688538 QCICHUASHJMQIX-VGSWGCGISA-N 385.467 3.961 50 40 GHGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1O 100175463 NCCLMCFOYFLBKT-ULBYWEGOSA-N 395.297 3.830 50 40 GHGB CCOc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc(Cl)c1O 8182121 HRHHWTUOGDJTHX-UFFVCSGVSA-N 376.840 3.590 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OC 408961748 DSMINDHQOMWIRV-RGVLZGJSSA-N 383.360 3.512 50 40 GHGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)=C(c3ccccc3F)[C@H]2C1 4354129 RNLCRKFIXFLIQR-KRWDZBQOSA-N 392.434 3.646 50 40 GHGB C[Si](C)(C)OC(C#N)(C#N)c1ccc(C(C#N)(C#N)O[Si](C)(C)C)cc1 255190151 VHQZOVUGEPFBMP-UHFFFAOYSA-N 382.572 3.875 50 40 GHGB NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccc(-c2ccsc2)cc1 1889251457 UUXOWJOKBMOREQ-FLFQWRMESA-N 389.436 3.506 50 40 GHGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17080843 YDIYWMZITSBOND-DLBZAZTESA-N 395.459 3.669 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC 52410938 KVCJEGHBKDRSGN-CIAFOILYSA-N 379.372 3.529 50 40 GHGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2)cc1 58823045 GXJOPHDGUDFDDB-PXLXIMEGSA-N 394.452 3.527 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 59334775 AUGDLDZSSGZDAK-UYRXBGFRSA-N 391.427 3.897 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccs1 3237522 UMNZZBSTHNYRGV-WSDLNYQXSA-N 398.415 3.879 50 40 GHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCc1ccccc1)[C@@H](Br)C2=O 2441957 NTRRARPDJGNCRG-KYNGSXCRSA-N 378.310 3.504 50 40 GHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc(C(C)(C)C)n[nH]1 5646359 PQRWQRQDPBGZCK-SRZZPIQSSA-N 384.871 3.619 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2cccs2)nnc1-c1ccc(C)cc1 1244557 ZXHYQGXKMGQBPH-YBFXNURJSA-N 385.518 3.577 50 40 GHGB O=C(CBr)[C@H](Br)[C@@H](Br)c1ccccc1 1555438 ZCLSLWPGIJDTTO-UWVGGRQHSA-N 384.893 3.850 50 40 GHGB CCOC(=O)[C@](C)(Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 1610663 MVGFKXXKGBIFIE-ZYHUDNBSSA-N 395.047 3.748 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 10476009 BHYJIQQYLYNKLU-XQNSMLJCSA-N 382.460 3.742 50 40 GHGB COc1ccccc1OCCOc1ccccc1/C=N/NC(=O)c1ccccc1 4499466 OKUGBBDLCLITRZ-JJIBRWJFSA-N 390.439 3.917 50 40 GHGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2Cc3ccccc3C2)cc1 408729216 YJSAWHOUCPLEQL-YDZHTSKRSA-N 386.411 3.879 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])s1 1437968 YUBPCAFDGCDSOW-KPZWWZAWSA-N 393.424 3.865 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)[C@@H]1c1ccco1 1428552 NUTPHEPSHLNCFA-IBGZPJMESA-N 381.391 3.802 50 40 GHGB O=C(c1ccccc1OC(F)(F)F)[C@@H](Br)CBr 575358706 ALWFDQVHMPWLMI-ZETCQYMHSA-N 375.966 3.926 50 40 GHGB COc1ccccc1-c1cc(C(=O)N/N=C/c2cn(C)nc2C)c2ccccc2n1 679796 ZCOOWZCPYHOYCW-ZMOGYAJESA-N 399.454 3.716 50 40 GHGB O=C(c1ccccc1)[C@H](Br)[C@@H](C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1664807 JTDZREGXXRJPQT-LSDHHAIUSA-N 393.193 3.602 50 40 GHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2[N+](=O)[O-])cc1 2278067 GFQWFVXBSIWKFI-LJQANCHMSA-N 387.399 3.616 50 40 GHGB COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccco2)c1 8167202 DATAILJEDWFLQH-UUYOSTAYSA-N 398.802 3.925 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 20763986 ULUGJQYEWXDJNA-LPYMAVHISA-N 378.384 3.807 50 40 GHGB CCn1c(SCC(=O)N/N=C\c2ccc(C)cc2)nnc1-c1ccc(C)cc1 30742739 KUHSFMWDOLBDBX-XKZIYDEJSA-N 393.516 3.824 50 40 GHGB O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(O)c2ncccc12 59459145 SMCKXYKVJZLAIQ-WSDLNYQXSA-N 398.260 3.786 50 40 GHGB Cc1ccc(S(=O)(=O)N/N=C2\C[C@H]3CC[C@@]2(C)[C@@]3(C)CBr)cc1 100920363 LNGUCYLTDFRBSZ-CKMRLIIOSA-N 399.354 3.851 50 40 GHGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)c(C)cc2nc1Cl 899581 DSAXQIMKVLNVDN-QGZVFWFLSA-N 383.835 3.760 50 40 GHGB COC1(OC)OC(c2ccccc2)=C(C#N)[C@H](c2ccccc2)C1(OC)OC 1585178 DFJCTPYZXBGXNL-IBGZPJMESA-N 381.428 3.671 50 40 GHGB CCc1ccc(C(=O)NNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1 8708645 IMZLFDIHOHBSEC-UHFFFAOYSA-N 391.471 3.915 50 40 GHGB Br[C@@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]2[C@H]2[C@H]4C(Br)(Br)[C@@H]3[C@H]12 252694698 OJQKYGJVEGFZFY-CLPUAPDGSA-N 382.921 3.624 50 40 GHGB Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 918846 ZINNLGLLRCDYBQ-CIAFOILYSA-N 379.372 3.692 50 40 GHGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)cc1OCC 6324596 NXJVYDIVIRFWES-MTJSOVHGSA-N 376.840 3.997 50 40 GHGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cccc3ccccc23)cc1 100544259 VTCRFUNYMAOJGM-PCLIKHOPSA-N 389.455 3.661 50 40 GHGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 8494785 JFYYQTILRCNJSD-QKIXXSFTSA-N 376.412 3.876 50 40 GHGB CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1 804012 ZBOJUUXYIAZEOP-SFHVURJKSA-N 394.402 3.616 50 40 GHGB O=C(N/N=C/c1ccccc1O)c1ccc(COCC(F)(F)C(F)F)cc1 2728067 GVEIXJWIYBHKIO-NUGSKGIGSA-N 384.329 3.573 50 40 GHGB N#CC(C#N)=Cc1ccc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)cc1 3183088 LOGPTZLJZCIMRK-UHFFFAOYSA-N 377.272 3.994 50 40 GHGB C/C(=N\NC(=O)CCCNc1ccc(Br)cc1)c1ccc(N)cc1 5260604 IUZCKPYHPLSLBE-LPYMAVHISA-N 389.297 3.764 50 40 GHGB COC(=O)N/N=C/c1cc(Cl)c(OCCCOc2ccccc2)c(OC)c1 4526006 YSRPKBFCYARRMI-FYJGNVAPSA-N 392.839 3.886 50 40 GHGB C/C(=N\NC(=O)c1ccccc1O)c1ccc(NC(=O)Cc2ccccc2)cc1 15934575 BXVDEAWDDSWGIA-PCLIKHOPSA-N 387.439 3.727 50 40 GHGB CC(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1 8277656 OQBRRHFWAXTRSR-VCHYOVAHSA-N 378.819 3.659 50 40 GHGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(N(C)C)c(Br)c2)c1 409362700 JWYSTUMQJDHJGU-MTJSOVHGSA-N 388.309 3.825 50 40 GHGB O=C(O)[C@H](Br)[C@@H](Br)c1ccccc1Br 72399681 IOATZQRJTIURPY-JGVFFNPUSA-N 386.865 3.733 50 40 GHGB in-vitro N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 1462498 NTWAHMJQHAKQOP-YMFQVDJJSA-N 385.467 3.892 50 40 GHGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCO3)[C@H](Br)C2=O 100868295 VDMURGWMUKEYRQ-BVGQSLNGSA-N 394.265 3.513 50 40 GHGB CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@H]1c1ccccc1F 2351432 GCMSMAMFLCGWHK-GOSISDBHSA-N 394.402 3.616 50 40 GHGB COc1ccc(CCNC(=O)NNc2ccc(Cl)cc2Cl)cc1OC 12908496 XKDUPKNBCYSKBX-UHFFFAOYSA-N 384.263 3.879 50 40 GHGB N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(F)c1 4544632 LDLWHFLJOAHOCG-SSDVNMTOSA-N 378.319 3.629 50 40 GHGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC#N 408849645 XYAFQRWOPXYESU-JJFYIABZSA-N 383.791 3.761 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)o2)c(C)c1 409243072 VFVCEMUFDNOJJX-CFRMEGHHSA-N 394.402 3.874 50 40 GHGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408790317 OVKGYPNQUNBPAM-IZZDOVSWSA-N 388.177 3.609 50 40 GHGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1Cl 408888290 YRFRBPFDWFKGIJ-DJKKODMXSA-N 375.837 3.732 50 40 GHGB CCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1OCC 40911378 YBJNCJBDEPXMOH-CIAFOILYSA-N 376.840 3.667 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCCC(C)C 3475080 KFJHBMMTPPAFCS-WSDLNYQXSA-N 384.432 3.613 50 40 GHGB CCCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2117991 OCMQBGLNXUVTDM-LJQANCHMSA-N 382.460 3.935 50 40 GHGB N#C/C(=C\c1cc(Br)cc([N+](=O)[O-])c1O)C(=O)Nc1ccccc1 6061592 DXBAQYSJJIZTAY-IZZDOVSWSA-N 388.177 3.609 50 40 GHGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408793794 GNQQTCQFHKPSJW-LFIBNONCSA-N 397.862 3.789 50 40 GHGB CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 409148591 ZNFZEQSGQRGKFH-MRXNPFEDSA-N 389.249 3.663 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C)c(Br)c2)c1 33607189 UASAICUSSIYJSM-VXLYETTFSA-N 377.238 3.539 50 40 GHGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3cc(OC)c4c(c3)OCCO4)c2c1 44026845 UBCNUVRXSMJVDX-AUWJEWJLSA-N 390.395 3.746 50 40 GHGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C 5740452 XSLNLVIJXQJKDK-ZVHZXABRSA-N 391.471 3.940 50 40 GHGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccccc2C)cc1 20059963 ZHJKJTJFUFYQAR-UHFFFAOYSA-N 399.516 3.545 50 40 GHGB N#CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 4739252 MEZQFCJZWYYCFN-SRZZPIQSSA-N 398.216 3.862 50 40 GHGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(O)cc1O 5799988 KUDYZSNNWSZMJA-ZMOGYAJESA-N 385.423 3.865 50 40 GHGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@@H]1c1ccco1 9012268 ANUDFOANGWMVCP-ZDUSSCGKSA-N 387.848 3.644 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1 408950893 GQXXJEOPMXOJFX-FRKPEAEDSA-N 386.043 3.877 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1Cc1cccc(F)c1 408876497 PKHZGAYIWGJZPL-WLRTZDKTSA-N 389.224 3.580 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc([N+](=O)[O-])c1O 408857323 FWNPMJBTOBULDY-WUXMJOGZSA-N 387.779 3.817 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OC 408979904 SZLGNYQCQPIQLH-AWNIVKPZSA-N 390.237 3.527 50 40 GHGB OCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 642882970 ZUJUHCBDVUWOQB-RXMQYKEDSA-N 382.057 3.786 50 40 GHGB COc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2ccco2)cc1 14920834 HDKJRCVJULMZKR-PXYXSCDOSA-N 387.395 3.963 50 40 GHGB Cc1ccccc1COc1c(Cl)cc(/C=C/C(=O)NN)cc1Br 226340768 FRVOKOIHFNUYPU-VOTSOKGWSA-N 395.684 3.993 50 40 GHGB COc1cccc(/C=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)c1O 30743018 IURTZUJXAZIMQN-IWIPYMOSSA-N 391.471 3.775 50 40 GHGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 6477633 HDOBRULINBKGPF-KRWDZBQOSA-N 377.469 3.706 50 40 GHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(OCC)cc1 10475855 FVZUUCCJGGHYFZ-KOEQRZSOSA-N 386.451 3.943 50 40 GHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1 58871479 FMCUKOSKGQYQRJ-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Cl)cc3)C2=O)c1 1790277 MHQCUJFKSPYEFB-IMGOXIFKSA-N 397.887 3.560 50 40 GHGB C=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 3231486 MXNNTSLKJZRNRI-UHFFFAOYSA-N 382.420 3.507 50 40 GHGB CC(C)c1ccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1 6263190 FYLOAEFDQMXDSQ-UHFFFAOYSA-N 393.553 3.793 50 40 GHGB N#C/C(C(=O)Nc1ccccc1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21 5265876 OUXVIPAMXQCQHE-ZPHPHTNESA-N 398.447 3.812 50 40 GHGB CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1Br 4543250 YJQJLRIBXAGBOL-SACOBIQUSA-N 387.233 3.997 50 40 GHGB O=C(N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cc2c(s1)CCCC2 6831016 LECHUCSULQTSDT-FYJGNVAPSA-N 398.488 3.899 50 40 GHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(I)cc1 408719362 LTNFBFFDGRCKEH-VCHYOVAHSA-N 398.631 3.637 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCCC)c([N+](=O)[O-])c2)cc1 20198213 PWAUDXVNMHOVEV-KGENOOAVSA-N 385.420 3.936 50 40 GHGB NNC(=O)CCc1cc(Cl)c(OCc2ccccc2)c(Br)c1 226342049 FTIPQQLPAUYFHU-UHFFFAOYSA-N 383.673 3.604 50 40 GHGB Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2750420 YYKHMXCJDQUCHT-FSJBWODESA-N 377.366 3.883 50 40 GHGB N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(Cl)c1 9323877 XIHPMLNQMYXNFF-LDADJPATSA-N 382.847 3.642 50 40 GHGB Cc1cc(C(=O)NN(C)c2ccccc2)c2cnn(Cc3cccs3)c2n1 12755215 MYAJSTRWJRWUPH-UHFFFAOYSA-N 377.473 3.631 50 40 GHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409153164 KZAQFQNKAWPIHD-FSJBWODESA-N 392.411 3.791 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 408532833 RDVJBJHXWPIQSG-FSJBWODESA-N 377.400 3.515 50 40 GHGB CCC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1 5417056 JCTGXLCTKFEXNP-YBFXNURJSA-N 375.222 3.528 50 40 GHGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2 841935 QXFUCSQQKLBBSY-SFHVURJKSA-N 378.819 3.758 50 40 GHGB CC[C@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(C)cc2)C1=O 12579849 GDNVVXMMPVEUTA-SBOLGIJOSA-N 391.496 3.905 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)o1 409381367 GLSIYBKPBRWOIF-VBKFSLOCSA-N 389.411 3.829 50 40 GHGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cccc(N(C)C)c3)c2c1 409020341 OEQFPIKGJZWXKG-OEAKJJBVSA-N 377.444 3.687 50 40 GHGB Cc1ccnc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c1 408966279 LCCIGMVLUWMFEC-BRJLIKDPSA-N 375.407 3.572 50 40 GHGB Cc1ccccc1OCC(=O)NNC(=O)CCCOc1ccc(C(C)(C)C)cc1 13984608 HEAYLUSLEFMXIH-UHFFFAOYSA-N 398.503 3.678 50 40 GHGB C[C@@H](c1cccc(Nc2ncnc3[nH]cnc23)c1)N(CCCl)CCCl 6792099 UOFGAJCBDYVQDT-LBPRGKRZSA-N 379.295 3.937 50 40 GHGB C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1cc(C)ccc1O 102409597 QRTJKPRECUCBFW-QPSGOUHRSA-N 387.654 3.792 50 40 GHGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408791676 APTVIEMJKHSWFQ-SFQUDFHCSA-N 392.411 3.592 50 40 GHGB Cc1nc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)sc1C 217926298 XGFAFRIQQSPSTB-UHNFBRDESA-N 385.327 3.857 50 40 GHGB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)CCl)c(=O)[nH]c2c1C 13566557 UDSMNBLACGRLGV-UHFFFAOYSA-N 382.891 3.955 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc1 716730 KBYSRDKYDAHBDF-DJKKODMXSA-N 397.656 3.640 50 40 GHGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 668346 YJMARKHKTXREJO-HYARGMPZSA-N 375.384 3.938 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1cccc([N+](=O)[O-])c1 59334430 RBMMLNSBBZOXIE-YVLHZVERSA-N 395.415 3.568 50 40 GHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(N)=S 3277559 VNBXJFXORKKNCX-NTEUORMPSA-N 375.413 3.641 50 40 GHGB Cc1cccc(-n2ncc3c(NNC(=O)c4ccccc4Cl)ncnc32)c1 8583091 LJXHSPGFQXVEIU-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB O=C(NCc1ccco1)[C@@H](Br)[C@@H](Br)c1ccccc1 2886631 NLEPEARTWRBPDO-STQMWFEESA-N 387.071 3.796 50 40 GHGB CCCOc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 2756533 YZURERBXTNPRHS-XIEYBQDHSA-N 388.467 3.862 50 40 GHGB C/C(N)=C(\C#N)C(=O)COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 104339441 DALANVIPIQJNTF-DBUPELKSSA-N 398.821 3.888 50 40 GHGB Cc1ccc(Sc2ncccc2C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 12735683 LZVCLTIPEFHGIO-UHFFFAOYSA-N 395.459 3.684 50 40 GHGB CCOC(=O)/C(=N\Nc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 17527484 LKOMBKZXBHEVGB-DARPEHSRSA-N 392.395 3.989 50 40 GHGB Cc1ccc(CC(=O)N/N=C\c2ccccc2I)c(C)c1 216045565 RXQRVGZDNCPPCI-ODLFYWEKSA-N 392.240 3.601 50 40 GHGB NNC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12 226764855 GQULTZDQXXWKSM-UHFFFAOYSA-N 397.793 3.986 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1OC 1252747 DBQCQQKFLDJUGJ-YDZHTSKRSA-N 375.428 3.893 50 40 GHGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151971 ZQAGFYNFFSAYJH-UKTHLTGXSA-N 378.413 3.952 50 40 GHGB CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(OC)cc(OC)c1 8811097 UUSLJDFVWVAJDX-CIAFOILYSA-N 376.840 3.910 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1OC 1261508 SNXXEIKDBUFKBH-YDZHTSKRSA-N 382.391 3.796 50 40 GHGB Cc1cc(C)c(OCC(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)c(C)c1 5447472 ZMSUOOPWBKHPNV-GFXGDVFHSA-N 386.320 3.836 50 40 GHGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)(F)F)cc1 5788567 FCXAWWRLECMKPS-UHFFFAOYSA-N 382.382 3.563 50 40 GHGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)ccc1O 8382606 LTBBPVALYOKPIB-MRXNPFEDSA-N 394.818 3.662 50 40 GHGB COc1ccc(-c2[nH]nc3c2[C@@H](c2ccnc4ccccc24)C(C#N)=C(N)O3)cc1 8382637 JVWKAAROIQWKEO-IBGZPJMESA-N 395.422 3.852 50 40 GHGB O=C(CCCSc1nc2ccccc2s1)NNC(=O)c1ccccc1F 2630452 WHGDCUSWHUNPKE-UHFFFAOYSA-N 389.477 3.769 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccc(F)cc1 58853141 XKHHCYOYOMTXJR-DZHDYZGWSA-N 393.418 3.523 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 2165957 UUDYMINYKACRKU-OEAKJJBVSA-N 397.475 3.580 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 4048119 SDWQTVWDEALGFW-OTJDAXFFSA-N 383.879 3.950 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1 4721201 IEISWRDYIDTOFH-BUVRLJJBSA-N 390.439 3.900 50 40 GHGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)cc1 12362678 AHNSMWMIAZXUSN-JUFXSQMOSA-N 381.432 3.852 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1 704680 ICAONYUOORRBFU-KEBDBYFISA-N 378.881 3.741 50 40 GHGB CC1(C)C(=O)[C@]2(Br)CC[C@]1(CBr)[C@@H]2Br 103708442 OZJYQWHCUOQKDZ-JUWDTYFHSA-N 388.925 3.668 50 40 GHGB COc1cccc(CC(=O)N/N=C\c2c(OC)ccc3ccc(OC)cc23)c1 409009583 GKTHBNSZXFLFMF-UCQKPKSFSA-N 378.428 3.558 50 40 GHGB CC1(C)C(C#N)=C(SCCCOc2ccc(Cl)cc2)NC(=O)[C@H]1C#N 8987929 QMICAVLUKZGJCP-CQSZACIVSA-N 375.881 3.873 50 40 GHGB C#CCn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21 20760320 NDLNEFIZWAUQMW-CIAFOILYSA-N 380.245 3.801 50 40 GHGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1cccc([N+](=O)[O-])c1 408542253 HYSIEPLZKSVPRO-OVCLIPMQSA-N 383.429 3.766 50 40 GHGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 36611954 QJUAQXGZTROCCQ-MRXNPFEDSA-N 388.851 3.895 50 40 GHGB COc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CCCC3)cc1 96191600 OAAOHIMJAKJINX-XMMPIXPASA-N 398.466 3.927 50 40 GHGB O=C(CSc1ccc(F)cc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 6999758 UXHZEMJUWYHOBA-UHFFFAOYSA-N 376.497 3.672 50 40 GHGB CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1ccc(C)cc1 1339957 LHWKDEIRQFYGLC-UHFFFAOYSA-N 393.512 3.967 50 40 GHGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc4ccccc34)CC2=O)cc1 59391500 LISLWDXGOVDFCW-FXONECCMSA-N 385.467 3.905 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)c(C)c1 58911587 AWCXJBVLXBVVLF-ZVHZXABRSA-N 394.519 3.610 50 40 GHGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(O)c1)C(C#N)=C(N)O2 841934 QXFUCSQQKLBBSY-GOSISDBHSA-N 378.819 3.758 50 40 GHGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 5518478 NTUATGJQTZGGKC-HZHRSRAPSA-N 389.411 3.867 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4775389 XCRXPENOECKYCG-UFWORHAWSA-N 382.203 3.739 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccccc3)c2C)cc1 409375153 GIXXUMPOPBOKCC-ZVHZXABRSA-N 376.460 3.665 50 40 GHGB Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)c1 409183676 FNNZMRZLWSIEJG-UUYOSTAYSA-N 383.448 3.789 50 40 GHGB CO[C@@H]1OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 263604357 OOXMKLJEENKKJP-GBJTYRQASA-N 380.706 3.649 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Br)cc1 3202405 WFLHDAVCZVJCRI-SRZZPIQSSA-N 384.233 3.526 50 40 GHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(O)cc2)c(C#N)c1C 6595127 DZXDLSKSPUVKPV-RIYZIHGNSA-N 380.425 3.529 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)cc1 6961796 FNLWOZLQHXIVOF-BHSKHCGUSA-N 386.455 3.860 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc1Br 9096365 AFPJHKUEMYEVQI-QFRWEEBOSA-N 378.314 3.792 50 40 GHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(Br)c1 1835463 OCXQNNFZTPAVQA-GIJQJNRQSA-N 390.262 3.833 50 40 GHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408794055 HGSDNUBMZHAUHE-SFQUDFHCSA-N 394.427 3.816 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 4048118 SDWQTVWDEALGFW-YZILGEIOSA-N 383.879 3.950 50 40 GHGB CSc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1 670247 ZZBUMSWGKVGNOD-LICLKQGHSA-N 396.253 3.777 50 40 GHGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C(\C)c1ccc(Br)cc1 408568891 XHNVZPNJHLVZNQ-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OC 408745254 KVLJJTRZZKDTRA-ATVHPVEESA-N 376.412 3.652 50 40 GHGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)cc1 4292584 OEPUILDMYLVUBF-HNNXBMFYSA-N 398.344 3.815 50 40 GHGB biogenic NNC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226341132 DMIUEHIHWGUMCN-SNAWJCMRSA-N 399.647 3.824 50 40 GHGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 1444753 NAJZNNVBVISKKP-HYARGMPZSA-N 388.383 3.611 50 40 GHGB CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1 12975317 BINZKECDZRVXJD-ZDUSSCGKSA-N 386.473 3.878 50 40 GHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1O 409078735 HZPVMPZHCZBLDU-CIAFOILYSA-N 379.372 3.616 50 40 GHGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c(F)c1 408965096 GDTJIOSDFKYCTG-MZJWZYIUSA-N 398.397 3.912 50 40 GHGB Cc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 409004542 DNENRRCJZHSKSW-OEAKJJBVSA-N 383.879 3.651 50 40 GHGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cccnc3)o2)c1 5879511 YEAMLOTUOACDIX-JJFYIABZSA-N 383.791 3.546 50 40 GHGB N#CC1=C(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)S[C@H]2CCC[C@H]12 5025210 PVAGENFGYOHXRV-DYVFJYSZSA-N 384.461 3.575 50 40 GHGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 7164948 UFUPBPTUWGWPLK-NBVRZTHBSA-N 376.412 3.974 50 40 GHGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc2c(cc1Cl)OCO2 1054177 GCUWPYJCYKAJIV-AUEPDCJTSA-N 381.819 3.784 50 40 GHGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248699 ITFRYHFRBXFQBW-FOKLQQMPSA-N 396.834 3.605 50 40 GHGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 3212160 YWQKLLOOIOMFBC-SSDVNMTOSA-N 382.807 3.964 50 40 GHGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408949900 SPSZTOXNMSQQIQ-FOKLQQMPSA-N 396.834 3.605 50 40 GHGB NC(=O)N[C@@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1ccccc1F 40071992 DIWPYFKUZHWSBQ-FQEVSTJZSA-N 392.434 3.795 50 40 GHGB C=CCn1c(S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)nnc1C1CC1 100828246 ZHVVLCYGXYJVPI-LBPRGKRZSA-N 392.488 3.664 50 40 GHGB N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1cccc(C(=O)O)c1 107902227 FJNNCGPLOTWSNS-YFHOEESVSA-N 377.219 3.754 50 40 GHGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)N1CCOCC1 5484550 PZNYJCLEBFEYDC-QGOAFFKASA-N 389.430 3.594 50 40 GHGB CCc1ccc(CCOc2ccc(C[C@@H](Br)C(=O)OC)cc2)nc1 35932163 CJQRUDWOZDEKKO-GOSISDBHSA-N 392.293 3.745 50 40 GHGB CC[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@@H]2C1 6785039 MMCLSZOTVXTBKG-AVBTWRTFSA-N 388.471 3.934 50 40 GHGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1 409380108 IBUXQKCBPGKZBB-CVKSISIWSA-N 384.439 3.699 50 40 GHGB COc1cc(Cl)cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c1O 5379170 GPQGNTHTILCGTA-DNTJNYDQSA-N 383.231 3.545 50 40 GHGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 8557766 ZBGXVNSALFCOBN-QGZVFWFLSA-N 375.457 3.624 50 40 GHGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccccc1Br 4815495 NCJJSKFEFSHPCW-CNHKJKLMSA-N 381.613 3.595 50 40 GHGB CCOc1cc(Cl)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC 409223892 HHDSINMMIYBYMV-UUYOSTAYSA-N 378.831 3.969 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCC#N 408810429 IYBMXDXQLNXOHC-SFQUDFHCSA-N 391.427 3.850 50 40 GHGB CC(C)[C@@H](Br)C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408533929 PNRHDXSKTSZIAG-OAHLLOKOSA-N 395.301 3.617 50 40 GHGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1O 408946671 AVASNMHQSHEVLP-NVNXTCNLSA-N 395.846 3.801 50 40 GHGB Cc1cc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc(C)c1Cl 30937359 NVTSGGVERYUBQI-QPSGOUHRSA-N 395.242 3.868 50 40 GHGB NC(=O)N[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1ccccc1F 40071993 DIWPYFKUZHWSBQ-HXUWFJFHSA-N 392.434 3.795 50 40 GHGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 5660549 ZVOKWOJPNRWTDN-UVTDQMKNSA-N 385.217 3.781 50 40 GHGB Cc1cc(C)nc(NNC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)n1 30625318 KTAJPXBLZLKSOF-HXUWFJFHSA-N 386.459 3.544 50 40 GHGB CCc1ccc(N2C(=O)CS/C2=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 100421081 JUEYQRPEYCDIDL-CZIZESTLSA-N 398.509 3.804 50 40 GHGB CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccc(O)c(OC)c1 1001440 OSTGXVGAIAOQDJ-UGVMZYNRSA-N 375.856 3.703 50 40 GHGB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)NNC(=O)c1ccccc1 4849509 NUSQKIKUHALFJI-UHFFFAOYSA-N 393.512 3.967 50 40 GHGB CCOc1cc(C=C(C#N)C#N)ccc1OCCOc1ccc([N+](=O)[O-])cc1 4182052 HHAPPDNDLBVUBD-UHFFFAOYSA-N 379.372 3.882 50 40 GHGB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)NNC(=O)c2cccc(F)c2)cc1 4681189 FJJHCXOUCMQGCB-HNNXBMFYSA-N 399.466 3.765 50 40 GHGB N#C/C(=C/c1ccc(O)c(I)c1)c1ccc([N+](=O)[O-])cc1 409208804 AGNYYICHFJRVDR-GHXNOFRVSA-N 392.152 3.969 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br 408754034 LQPIJRONEZFWAT-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB O=C(CCCC[C@@H]1CCSS1)NCc1ccc(Cn2cncn2)cc1 42036435 QRWFJXVSCZQTJS-QGZVFWFLSA-N 376.551 3.657 50 40 GHGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)CCl 14405165 UDQNDBZRRPEGLG-UHFFFAOYSA-N 382.851 3.919 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 5288528 FNOBGLLRJGHTJW-UDWIEESQSA-N 378.881 3.990 50 40 GHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 6505672 DUAIUUCBMLSFNU-SSDVNMTOSA-N 398.802 3.827 50 40 GHGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/C2=Cc3ccccc3OC2)c1Cl 54280248 IKEYFOJNJVHHTK-AERZKKPOSA-N 397.649 3.816 50 40 GHGB N#C/C(=C\c1ccc(Br)o1)C(=O)NCCc1c[nH]c2ccccc12 23410757 ASDDFCXVSCOVKX-UKTHLTGXSA-N 384.233 3.789 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1O[C@@H](C)C(=O)O 409018473 HLRIIPHMDKRBAD-HAKPAVFJSA-N 394.427 3.710 50 40 GHGB C/C(CC(=O)N(C)c1ccccc1)=N\NC(=O)c1ccc(Br)cc1 6998168 BNHKOTUNNNGUMX-DEDYPNTBSA-N 388.265 3.608 50 40 GHGB N#Cc1ccccc1COc1ccccc1/C=N\NC(=O)Cc1ccc(F)cc1 409240482 UBUILBIXHCZEFT-YSMPRRRNSA-N 387.414 3.969 50 40 GHGB CC[C@H](C)OC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@H](Cl)[C@@H]1Cl 4235758 MJYKXJUWZQBIAC-ZURSNBDQSA-N 377.655 3.537 50 40 GHGB biogenic CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(C)c1C(=O)CBr 96306093 WLQKJMOSQTVZLW-UHFFFAOYSA-N 385.645 3.588 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1Br 3136522 FRQGDVLMKKVTCZ-KEBDBYFISA-N 391.265 3.604 50 40 GHGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NC[C@H]1CCCO1 17700358 WNLRQOKXKHVNIL-VOMPUTFMSA-N 380.419 3.607 50 40 GHGB CCN(CC)c1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(OC)cc2)cc1 102722676 OWIGLYCUATVHPZ-HKWRFOASSA-N 385.489 3.792 50 40 GHGB O=C(N/N=C/c1ccc(Br)o1)c1cc2cc([N+](=O)[O-])ccc2s1 107877536 ZEDOAYAZGFGCOB-FRKPEAEDSA-N 394.206 3.929 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(C)cc1C 20195013 MZDHVSJRCLEXNJ-RGVLZGJSSA-N 375.266 3.767 50 40 GHGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCCSc3ccccc3)ccc21 8391456 STBAUMGYVOBFQY-UHFFFAOYSA-N 396.516 3.698 50 40 GHGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)no3)c3ccccc3n2)cc1 17198309 BKPGWCBVLOKZAY-UHFFFAOYSA-N 386.411 3.581 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)c2cccc(Br)c2)cc1OC 1445654 YDTFTWSRPJEHJB-ODLFYWEKSA-N 377.238 3.620 50 40 GHGB Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1c(Cl)cc(Cl)cc1Cl 58004586 ULMXMUOXVCHIAK-UHFFFAOYSA-N 392.630 3.593 50 40 GHGB COCCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2Cl)c1Cl 3232645 BAYIHEYSKAVWOP-FMIVXFBMSA-N 380.231 3.584 50 40 GHGB O=C(N/N=C/c1ccncc1)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1 3305796 SHMIUJMHHDEKKG-YDZHTSKRSA-N 391.818 3.945 50 40 GHGB COc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1O 6654400 DYHRCOFOZNENMB-XYOKQWHBSA-N 379.441 3.642 50 40 GHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 4935704 LRUOUUBMSREPDD-QGMBQPNBSA-N 390.808 3.632 50 40 GHGB Cc1sc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1085534 IACAHXIETOLICF-UBKPWBPPSA-N 388.232 3.801 50 40 GHGB O=C(c1cccc(OC(F)(F)F)c1)[C@@H](Br)CBr 575359228 WHEOFXNRSSGRIK-QMMMGPOBSA-N 375.966 3.926 50 40 GHGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1cccc(Cl)c1Cl 1661471 GSSMRTFROZJREY-ZDUSSCGKSA-N 382.272 3.940 50 40 GHGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NC[C@H]1CCCO1 2759060 CEXRQOFIKPQIHL-PZNLSKEWSA-N 398.466 3.741 50 40 GHGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)cc1OCc1ccccc1 6565156 UWTBKHAMGFSGJB-IBGZPJMESA-N 388.427 3.524 50 40 GHGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(OC(F)(F)F)cc2)cc1 6661532 XAUAULNRIMQIIM-LFIBNONCSA-N 398.362 3.845 50 40 GHGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1n[nH]c(=O)c2ccccc12 6648493 LBXGRHUBRVJPCM-AFUMVMLFSA-N 392.418 3.993 50 40 GHGB CC(C)(C)OC(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4739445 ZWWKOLWBJOIPOL-UDWIEESQSA-N 385.376 3.673 50 40 GHGB CSc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 409165386 XMCOHXWKVXNUJL-ORWNMUSCSA-N 381.501 3.529 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl 408735824 YDJLHZJXGJFFGL-UUILKARUSA-N 385.763 3.831 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Cl)cc1OC 408967635 RIPBOGMBRFEKGK-LSHDLFTRSA-N 375.787 3.522 50 40 GHGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408846174 PDWAVWMOCBHNNP-JNFAEOHTSA-N 396.498 3.885 50 40 GHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCO3)[C@@H](Br)C2=O 11990784 VDMURGWMUKEYRQ-VHSSKADRSA-N 394.265 3.513 50 40 GHGB O=C(CCc1ccccc1)NN[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1 9299720 CNQNEBWPDZFBAI-DEOSSOPVSA-N 399.494 3.637 50 40 GHGB COc1ccc(/C=N/NC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 2305105 CKQZQAWADDXDKW-PCLIKHOPSA-N 388.467 3.698 50 40 GHGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O 408972256 OHXRGNQSAIUZHB-UWVJOHFNSA-N 398.202 3.770 50 40 GHGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1cccc(Br)c1 408712843 WMPWWDQVSNDRRL-UHFFFAOYSA-N 389.640 3.535 50 40 GHGB COc1ccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1 20348372 XUIZKQCLAQHVSV-IBGZPJMESA-N 391.496 3.910 50 40 GHGB COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 925154 WHARXGFOLQWIHS-KRWDZBQOSA-N 381.819 3.712 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427246 QYYMYCKIKLBJPK-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1 6404208 JAAGWVRQSLXEHM-UUASQNMZSA-N 379.372 3.794 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408860532 XSNYTOIKMWCILQ-VXLYETTFSA-N 380.673 3.932 50 40 GHGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1ccc(C)cc1 4167594 DKOMLEONOIPBOI-WTSPJTHGSA-N 394.707 3.825 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Cl)ccc1O 2292114 MZPDEFRWHCVKIG-DJKKODMXSA-N 397.656 3.971 50 40 GHGB C/C(=N/NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1cccc([N+](=O)[O-])c1 4994393 NZPZZBSZXAZQQV-JAIQZWGSSA-N 383.795 3.792 50 40 GHGB N#C/C(=C\c1csc(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1 45110707 GTMMARMMOBOCOR-VZUCSPMQSA-N 377.219 3.754 50 40 GHGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccccc1C#N 408742104 PIUQGVXZXHZBEX-WGOQTCKBSA-N 399.450 3.839 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1 409264386 FLJZZKDDRVFCTJ-MFKUBSTISA-N 385.423 3.910 50 40 GHGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(Sc2nccc(C)n2)o1 409272182 MEICODFBYBVHQQ-UXBLZVDNSA-N 394.250 3.762 50 40 GHGB C[Si](C)(C)OS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F 169806657 TXHZECVJWFWGDH-UHFFFAOYSA-N 388.280 3.525 50 40 GHGB CCOC(=O)N/N=C(\C)c1cc([N+](=O)[O-])c(-c2ccc([N+](=O)[O-])s2)s1 13765990 XMKDOBGPSBEAKE-VGOFMYFVSA-N 384.395 3.763 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 207872834 SWOQBXQGTGLRBV-ZROIWOOFSA-N 399.790 3.971 50 40 GHGB COc1ccc2c(c1)-c1c(ss/c1=N/NC(=O)c1ccncc1)C(C)(C)N2 100911366 LGOMVCBTJUWHFN-PTGBLXJZSA-N 398.513 3.787 50 40 GHGB COc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1OC 873792 LUWKQUCTDLKDOV-UHFFFAOYSA-N 390.848 3.647 50 40 GHGB COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 925155 WHARXGFOLQWIHS-QGZVFWFLSA-N 381.819 3.712 50 40 GHGB CC(C)N(C(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1)C(C)C 6306961 JHOXOOAGKXLBLO-INIZCTEOSA-N 389.496 3.543 50 40 GHGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1n[nH]c2c1CCc1ccccc1-2 12360336 HIRJPIVNNJAQHJ-CFRMEGHHSA-N 382.423 3.798 50 40 GHGB O=C(NN=C1CCCC1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240446 RYZNZAJMPZYURG-UHFFFAOYSA-N 390.531 3.664 50 40 GHGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)C2=C(CCCC2=O)N1 2309887 LBZPCAKFVHERJL-IBGZPJMESA-N 382.485 3.720 50 40 GHGB N#C/C(=C\c1cccn1-c1ccc(O)cc1)C(=O)NCCc1c[nH]c2ccccc12 4106572 AMEVZEIMXNFZSV-NBVRZTHBSA-N 396.450 3.930 50 40 GHGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2c1 409005972 GSPJOVDESKGKPJ-MTJSOVHGSA-N 379.372 3.529 50 40 GHGB C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cl 4570780 IAEDIPSABZVYGY-MRXNPFEDSA-N 389.238 3.820 50 40 GHGB O=C(Cn1nnc2ccccc21)N/N=C\c1c2ccccc2cc2ccccc12 4610992 RNQYZNANJIXKMX-OYKKKHCWSA-N 379.423 3.888 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)[C@H](OC)c2ccccc2)cc1Br 5620956 MXBQVFKEHHADHY-XNHPLOEXSA-N 391.265 3.686 50 40 GHGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)CC2=O)cc1 409260831 XGLZSLIHSUJMAP-ISNLTARASA-N 390.270 3.805 50 40 GHGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408526250 BFNVJMPFQVALOJ-SSDVNMTOSA-N 398.802 3.827 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1O 16449227 TXGDFROVQIVPCK-JMIUGGIZSA-N 385.763 3.978 50 40 GHGB COc1ccccc1/C=N/NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 5559100 AYTDXSAAVBQTCZ-OEAKJJBVSA-N 385.895 3.711 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])s1 1437970 YUBPCAFDGCDSOW-SGTLLEGYSA-N 393.424 3.865 50 40 GHGB CCOCCN1C(=O)/C(=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 6206915 AKNUDMFLORUUJQ-HIXSDJFHSA-N 393.487 3.501 50 40 GHGB CCn1c(C)c(/C=N\NC(=O)[C@@H](C)Nc2ccccc2OC)c2ccccc21 32579448 CFSSGTNGGBJOQX-JNCAFBRLSA-N 378.476 3.929 50 40 GHGB C/C(Cc1ccccc1)=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 59639302 JVBCIFGLRYNQOM-KOEQRZSOSA-N 383.451 3.890 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2cccs2)c(C)n1CC(C)C 3303268 BQSCESJTSMZNLW-GIJQJNRQSA-N 399.516 3.589 50 40 GHGB CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccccc2)cc1OC 409029390 AIQFXOXUKZZOPL-UDWIEESQSA-N 391.265 3.549 50 40 GHGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSc1ccccc1 409000604 UCLQSNHTOKHNGD-DEDYPNTBSA-N 386.477 3.683 50 40 GHGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 5726801 XKBGPOLYTZWTDX-HEBPPMISSA-N 381.432 3.852 50 40 GHGB Cn1cc(C(=O)NNC(=O)c2ccc(-c3ccccc3F)o2)c2ccccc21 8145434 XLLNZPDBXFKCMH-UHFFFAOYSA-N 377.375 3.652 50 40 GHGB Cc1c(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c2ccccc2n1C 408857432 MMILURGXNVUSDC-OHEVMPSXSA-N 380.455 3.694 50 40 GHGB CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCC(=O)O 4454010 NTBDVNWCRPCIKQ-OQLLNIDSSA-N 377.400 3.798 50 40 GHGB O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)c1ccccc1O 408816350 JKUBWANYZJIOPW-NDENLUEZSA-N 384.233 3.709 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc([N+](=O)[O-])c1O 35582319 NFGQRJHEHWDDCR-WUXMJOGZSA-N 387.779 3.817 50 40 GHGB O=C(NNc1ccccn1)c1cc2cc(Br)ccc2nc1Cl 2557741 ONNZCTILIYSASQ-UHFFFAOYSA-N 377.629 3.803 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 3150155 JRLFJDOMJVKHLX-BUVRLJJBSA-N 390.439 3.900 50 40 GHGB C=CCc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc(OC)c1O 408906374 IWBKPQZSHVNGJL-BUVRLJJBSA-N 396.487 3.919 50 40 GHGB CCOC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O 2435339 LSJQTWCTMPIGRY-FOWTUZBSSA-N 389.411 3.574 50 40 GHGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)o3)c2C)cc1 408589904 NJYNEQDUPDZYBL-YDZHTSKRSA-N 393.443 3.936 50 40 GHGB Cc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 409006634 QJTQOQZKXGQGPH-OEAKJJBVSA-N 383.879 3.651 50 40 GHGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)NC1CCCC1 409192213 VRCOFSJKXYSUTC-UYRXBGFRSA-N 390.439 3.930 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)c1 6478844 BMFVJYIYGRILMY-QGZVFWFLSA-N 377.469 3.706 50 40 GHGB C/C(N)=C(\C#N)C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 104881424 XJIKXHYKGVSDCO-XFXZXTDPSA-N 396.950 3.901 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1OC 28402536 JOKASDDODZFYPN-HMAPJEAMSA-N 378.432 3.556 50 40 GHGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(Cl)c1 4746614 XIHPMLNQMYXNFF-PDGQHHTCSA-N 382.847 3.642 50 40 GHGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OC(C)C 408541887 GJUGQPMPBIQRIY-YBEGLDIGSA-N 380.400 3.726 50 40 GHGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 5924075 XUZLBPXQFJBGRM-GOSISDBHSA-N 388.427 3.789 50 40 GHGB CCn1c(SCC(=O)N/N=C(/C)c2ccccc2)nnc1-c1ccccc1 4915015 VBIPBVBWEDYOGS-QNGOZBTKSA-N 379.489 3.598 50 40 GHGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(F)cc2)cc1 59104856 YMSYQTOXRNZCFA-ZMOGYAJESA-N 392.386 3.867 50 40 GHGB CC[C@H]1C(C#N)=C(S[C@@H](C(N)=O)c2ccccc2)NC2=C1C(=O)CC(C)(C)C2 2275207 QVCRVHJDEHAJKJ-IFXJQAMLSA-N 395.528 3.954 50 40 GHGB O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 45438644 DFHXKRMEAVIXCI-SJORKVTESA-N 393.409 3.834 50 40 GHGB CCOC(=O)c1c(NC(=O)CCl)sc(CN(C)C)c1-c1ccccc1 5247557 ZSFQSVKKBDHOFW-UHFFFAOYSA-N 380.897 3.831 50 40 GHGB C/C(NNC(=O)c1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112124284 KNCJZQYQQMMDIK-FXBPSFAMSA-N 396.450 3.646 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 4674147 XSDPRAFKBZJDKI-LFIBNONCSA-N 395.434 3.989 50 40 GHGB O=C(N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 409213583 UWGSABGAXHRAPX-IDUWFGFVSA-N 383.147 3.574 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC 6286700 RBLLUTGWFCQUOR-BHGWPJFGSA-N 395.381 3.675 50 40 GHGB Cc1cc(OCC(=O)NNC(=O)/C=C\c2ccc(Cl)cc2)cc(C)c1Cl 23397208 ZVKCRYLZGBXDAM-YVMONPNESA-N 393.270 3.850 50 40 GHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCOCC2)cc1C 409108367 WTMUBERJECERMS-ODLFYWEKSA-N 397.482 3.840 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cccc(C)c2)o1 408875631 GNMFPPOHGYUYAU-MTJSOVHGSA-N 379.372 3.936 50 40 GHGB N#C/C(=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CCCC1 409368514 ZZRGIXCXMGAJFJ-LDADJPATSA-N 377.400 3.703 50 40 GHGB CCCOc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 409259304 YQVGJPUKMUFJHU-OQLNFPPLSA-N 393.487 3.541 50 40 GHGB C=CCN(c1ccc(C(=O)NN=C2CCCC2)cc1)S(=O)(=O)c1ccccc1 19926611 HABFHWHYUSXSCX-UHFFFAOYSA-N 397.500 3.728 50 40 GHGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccccn2)nc2ccccc12 6508002 YOCMNGJAPGLORC-ZVHZXABRSA-N 397.394 3.969 50 40 GHGB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 808815 HBEVGDDTJFNCTO-QGZVFWFLSA-N 380.835 3.649 50 40 GHGB CCOc1ccc(OCc2ccc(C(=O)NN=C3CCN(CC)CC3)cc2)cc1 57600780 OPABKWYKAJPGHC-UHFFFAOYSA-N 395.503 3.866 50 40 GHGB CCOc1ccc(/C(C)=N/NC(=O)CNc2ccc(Br)cc2)cc1 409347080 NYRZIFIQTBSFBN-FYJGNVAPSA-N 390.281 3.800 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(N(C)C)c3)o2)cc1C(=O)O 4546769 XGMSTFBSEPZNTK-YDZHTSKRSA-N 391.427 3.783 50 40 GHGB Cc1c(C(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cccc1[N+](=O)[O-] 408894549 REKACSBJFCNCEJ-SRZZPIQSSA-N 397.822 3.815 50 40 GHGB O=C(Cc1cccc2ccccc12)NNC(=S)NCCCc1ccccc1 408585802 JKZIKWCDNTVCDO-UHFFFAOYSA-N 377.513 3.510 50 40 GHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409387298 PNRKFXCHFZXKFS-WJDWOHSUSA-N 376.372 3.950 50 40 GHGB CCCC(=O)Oc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 1102372 NZQKKSYWNYAKEN-IBGZPJMESA-N 380.444 3.843 50 40 GHGB Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccccc1Cl 32975851 PSNLSVXZTRGERB-UHFFFAOYSA-N 399.834 3.599 50 40 GHGB COc1ccc2c(Cl)c(C(=O)NNC(=O)CCc3ccccc3)sc2c1 674950 DVZYRKLLJOWHPA-UHFFFAOYSA-N 388.876 3.957 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)cc1 20197923 IVJKQHASTWDTBB-CIAFOILYSA-N 376.840 3.910 50 40 GHGB CCOc1cc(/C=N/NC(N)=O)ccc1OCc1c(Cl)cccc1Cl 979631 RBZKUUHJBSALLQ-ZVBGSRNCSA-N 382.247 3.973 50 40 GHGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c1 2231408 LOKRTJQWNPWCCA-SFHVURJKSA-N 377.469 3.915 50 40 GHGB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)c(C)c1 12971322 IANOORHSFVRSJZ-UHFFFAOYSA-N 392.546 3.566 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccccc2)o1 39402847 ABBFNYOYQHKJNR-FYJGNVAPSA-N 379.372 3.556 50 40 GHGB COc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 6407741 ZLDSZCMDHKHNLK-HZHRSRAPSA-N 379.460 3.978 50 40 GHGB CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(C(C)(C)C)cc1 4511971 FHRRPVNXIKSWAJ-HYARGMPZSA-N 399.447 3.820 50 40 GHGB Cc1cc(OCC(=O)N/N=C/c2cccc(Br)c2)ccc1Cl 8183345 PMPAWSPBHLSTQP-DJKKODMXSA-N 381.657 3.940 50 40 GHGB CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(F)cc1 409228522 BDDLKCAFYMHVFA-JAIQZWGSSA-N 379.229 3.680 50 40 GHGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(OC)c2)cc1OC 409326938 OZBURYIQQHDZDL-NHDPSOOVSA-N 392.839 3.616 50 40 GHGB COc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OC(C)C 32193910 IXGRIKROVUHXEJ-NHDPSOOVSA-N 376.840 3.665 50 40 GHGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1433619 JJIDNFMOHJMULQ-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccccc2)=C1C#N 9353738 LHCNSFGQAGHTKT-QGZVFWFLSA-N 377.469 3.706 50 40 GHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 3162210 KRQWHAFRAWNUHR-PCLIKHOPSA-N 387.483 3.848 50 40 GHGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)C1c2ccccc2Oc2ccccc21 30802682 AHKMVZONSSMNDS-UUYOSTAYSA-N 389.367 3.688 50 40 GHGB CC(=O)O[C@@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br 1628448 KTWIGALCELBUBD-SREIQFSDSA-N 380.032 3.565 50 40 GHGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4953696 JKIQLFIBMOUPKC-MDWZMJQESA-N 385.763 3.719 50 40 GHGB Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)N(C)C)c3ccccc32)cc1 59335004 WLLDZORSTBLUKV-ATVHPVEESA-N 386.455 3.584 50 40 GHGB C#CCn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 1095510 KSFSORSHOGBAIB-LVZFUZTISA-N 394.478 3.530 50 40 GHGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Cl)cc3)C2=O)cc1 1790285 WZBULCCPFFPEEI-XUMLYMLNSA-N 397.887 3.560 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1Br 408741149 KIPIKGAYFDIHQW-UDWIEESQSA-N 389.249 3.786 50 40 GHGB C[C@@H]1CCc2sc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2C1 6511682 GBLPNPMIULTAPJ-GFCCVEGCSA-N 393.468 3.872 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1 408587373 FPYOSCIZQDUNPL-HYARGMPZSA-N 376.416 3.695 50 40 GHGB Cc1c(-c2ccc(/C=C(\C#N)C(=O)NCc3ccco3)o2)cccc1[N+](=O)[O-] 408832509 ZDCZOGGUORDNDH-GXDHUFHOSA-N 377.356 3.980 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 5466082 YTZNSDOMGGDPKY-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC 5512402 GVFCRWIHKHDMQS-DJKKODMXSA-N 397.656 3.884 50 40 GHGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC 408894868 JNJIKZKKADNCTM-KPKJPENVSA-N 386.791 3.601 50 40 GHGB COc1ccc(-c2[nH]nc3c2[C@H](c2ccnc4ccccc24)C(C#N)=C(N)O3)cc1 8382638 JVWKAAROIQWKEO-LJQANCHMSA-N 395.422 3.852 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N)c1C 14257449 IKRFSRCYVAAWRE-FSJBWODESA-N 391.431 3.657 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 7079212 JCLFOIHDJCHDDO-RGVLZGJSSA-N 391.652 3.878 50 40 GHGB O=Cc1cccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1O 68602159 PAZFJJLWQSMMSJ-UHFFFAOYSA-N 384.415 3.556 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@H]1c1cccs1 409129265 JEGVBDQUASMWOO-LLVKDONJSA-N 387.461 3.598 50 40 GHGB C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 2209354 APYUUGQYPYGBLE-ITEXZYEPSA-N 397.887 3.860 50 40 GHGB O=C(N/N=C/c1ccc(F)cc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 1429120 MCQLWDDSWCPTCV-ZMOGYAJESA-N 379.366 3.981 50 40 GHGB C[C@@H]1C[C@H](C[C@H]2CC[C@H](NC(=O)CCl)[C@H](C)C2)CC[C@@H]1NC(=O)CCl 6183248 VXWXNPYLHIYPKY-FFRIZKCHSA-N 391.383 3.696 50 40 GHGB Cc1cc(C)n2nc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)nc2n1 1081822 WIFJGKXUXVCUBS-ZMOGYAJESA-N 394.438 3.811 50 40 GHGB O=C(CN1CCCc2ccccc21)NNC(=O)Nc1ccc(Cl)c(Cl)c1 3199735 VLCLIIGDKQTKMF-UHFFFAOYSA-N 393.274 3.599 50 40 GHGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)cc1C 27017905 GCYJUYVQMQRAHE-AQTBWJFISA-N 386.455 3.899 50 40 GHGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc21 2332489 DQAHQZKVLDSZBI-FSJBWODESA-N 389.411 3.715 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C 408874921 GHAWBUXCLYJONG-TWFPNHQZSA-N 389.293 3.738 50 40 GHGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 13069744 CEYQZYLNVNJWQE-ZMOGYAJESA-N 378.398 3.724 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC 33697426 MBAGWHDUKCGZKH-UKWGHVSLSA-N 383.231 3.783 50 40 GHGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C3/CCCC(=O)C3)cc2)n1 101521051 DQDQLNWSGQLNPW-QJOMJCCJSA-N 382.489 3.615 50 40 GHGB CCCc1ccc(/C=N/NC(=O)c2ccc(I)cc2)o1 10118674 JQCKWLKQSUDQEF-LICLKQGHSA-N 382.201 3.601 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1 408982535 YLCFIUIXOUGWJX-OGTCDWKQSA-N 395.459 3.579 50 40 GHGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccccc1O 5282460 UDUQJPAYYTYHBX-XDHOZWIPSA-N 393.306 3.928 50 40 GHGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OCC 408812233 MFYHFAWHLKRAET-OQLLNIDSSA-N 384.819 3.567 50 40 GHGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1 409265551 IVVPPMYBRYXFSI-LFVJCYFKSA-N 378.472 3.698 50 40 GHGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(N3CCCCC3)o2)cc1 83301688 NXDFGFDIMPBBMP-NGIIGVMLSA-N 399.491 3.633 50 40 GHGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc2ccccc2c1 15423154 PQINAQIINLLSEF-INIZCTEOSA-N 377.282 3.848 50 40 GHGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1 35074816 OBCNNIBSKCARQD-NDENLUEZSA-N 390.281 3.765 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 59473549 BQJNVKWWJCWTKU-ZICWZVMQSA-N 378.881 3.988 50 40 GHGB C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409170453 VVUIQGRQODTAIE-KOUDTOEKSA-N 378.384 3.562 50 40 GHGB N#C/C(C(=O)Nc1ccccc1)=C1/N=C(NC(=O)c2ccccc2)c2ccccc21 5205577 XIWOGGWJJXEOHY-MRCUWXFGSA-N 392.418 3.750 50 40 GHGB COc1ccc(CCCC(=O)N/N=C/c2ccc(O)c(Br)c2)cc1 4544707 FWLNIPRPVRGUFY-UDWIEESQSA-N 391.265 3.636 50 40 GHGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1CCCN1c1nccs1 84517747 HDTRRZOIFJZMIV-GOSISDBHSA-N 376.485 3.681 50 40 GHGB CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(Br)cc2)cc1 13595725 WNDXIAVIHSMIOS-DEDYPNTBSA-N 375.266 3.931 50 40 GHGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OC(C)C 408961566 NGSHODWIIQUIMR-SRZZPIQSSA-N 397.387 3.901 50 40 GHGB CCOc1cc(/C=N\NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1O 36490172 NCCLMCFOYFLBKT-ZDXFBESYSA-N 395.297 3.830 50 40 GHGB O=C(NC[C@@H]1SS[C@H](CNC(=O)c2ccccc2)S1)c1ccccc1 41097451 MBYBEJZIXXFIIV-IYBDPMFKSA-N 390.555 3.627 50 40 GHGB O=[N+]([O-])[C@H]1C[C@@H](Cl)CC[C@H]1SS[C@@H]1CC[C@@H](Cl)C[C@@H]1[N+](=O)[O-] 5188091 XPLHORMIMYFFDC-KTWSDMTRSA-N 389.326 3.978 50 40 GHGB Cc1ccc(N2C(=O)[C@@H](C)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 12579962 AVSYEVYOKCQMHE-UFIXSJTLSA-N 391.496 3.557 50 40 GHGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Br)o1)C(C#N)=C(N)O2 5921859 WHRKGVIBULSFOQ-MRXNPFEDSA-N 397.232 3.754 50 40 GHGB CC(C)c1ccc([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 1022471 AISSSNZXCWFHPV-YADHBBJMSA-N 385.515 3.944 50 40 GHGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914652 WGXLLUPOWOSHLT-UUYOSTAYSA-N 397.818 3.697 50 40 GHGB O=C(O)[C@H](Br)[C@H](Br)c1ccccc1Br 72399682 IOATZQRJTIURPY-HTQZYQBOSA-N 386.865 3.733 50 40 GHGB in-vitro Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)c2C)c1 5740579 XJARJWDUNAQIOS-XOBIUNJKSA-N 389.455 3.693 50 40 GHGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Cl)ccc3Cl)[C@H]2C1 19851621 QVQWIHDOTPIENF-FUHWJXTLSA-N 398.297 3.739 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 59201134 FNHUZNRRBIJVOK-KPKJPENVSA-N 387.779 3.811 50 40 GHGB CC1(C)[C@]2(C(=O)Nc3ccc4c(c3)OCO4)CC[C@@]1(C)C(=O)[C@H]2Br 1805576 VDMURGWMUKEYRQ-JEBQAFNWSA-N 394.265 3.513 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2C)c1 409067263 ORRIALYRWGLLAR-RGEXLXHISA-N 391.471 3.776 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1Br 408741709 NJYJXISGFHITOR-RGVLZGJSSA-N 377.213 3.917 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC 408863831 UTTMRUHPPLHORP-FYJGNVAPSA-N 385.420 3.855 50 40 GHGB COc1ccc2c(c1)CCC/C2=N\NC(=O)CSCc1cccc([N+](=O)[O-])c1 408727585 QPZBDILSPOEBRF-XUTLUUPISA-N 399.472 3.693 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(C)cc2)c2ccccc21 33752525 QRNOKDGDHMXLOQ-ZVHZXABRSA-N 391.471 3.514 50 40 GHGB C/C(=N/NC(=O)CSc1nc(C)cc(C)n1)c1ccc(N2CCCCC2)cc1 40161310 QYNMNQKPADRXFC-ULJHMMPZSA-N 397.548 3.716 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](OC)c1ccccc1 3174602 YEAPRDHFLBYGLM-RONKMWSCSA-N 391.265 3.686 50 40 GHGB CCOC(=O)/C(C#N)=C1\C=C(C)CC(C)(C)[C@H]1/C(SC)=C(\C#N)C(=O)OC 16681983 XPCYEMMPSAXSPB-NANXTMOZSA-N 388.489 3.676 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)CCc4ccccc4)ncnc32)cc1C 21118036 HMAGEISLVJWTJW-UHFFFAOYSA-N 386.459 3.508 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(C)C 6844802 SRHKCPKYTIWCMW-LPYMAVHISA-N 383.448 3.595 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(Br)cc1 989346 WVOOPFOMBIPBSI-HNNXBMFYSA-N 394.228 3.509 50 40 GHGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)C(C)(C)C)c1 1005679 ZLZPFRWRYBXRQC-QRVIBDJDSA-N 381.432 3.554 50 40 GHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 107582369 HPIJBIOYKYWURB-UFFVCSGVSA-N 399.790 3.880 50 40 GHGB O=C(NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccccn1 12933426 ZUMJAJXKRYAYDH-UHFFFAOYSA-N 390.424 3.540 50 40 GHGB COc1ccc(NC(=O)C(=O)N/N=C/C(C)=C\c2ccc(C(C)C)cc2)cc1 15931249 XYMNQEDMPASSFA-NGQKZBSHSA-N 379.460 3.963 50 40 GHGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C 28216372 IDHGYDPMVSYPSP-ZMOGYAJESA-N 395.434 3.771 50 40 GHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708971 VXQVGWUHQBMZRD-JHAVZTMOSA-N 390.846 3.588 50 40 GHGB O=C(O)c1ccc(SSc2ccc(C(=O)O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 4280995 AZVMFHXFQAGELP-UHFFFAOYSA-N 396.358 3.699 50 40 GHGB biogenic O=C(N/N=C/c1ccc2ccccc2c1)[C@@H](O)c1ccc(Br)cc1 3167479 ZKZOAYZUEVOERV-IUOVYFEOSA-N 383.245 3.786 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Cl)c1O 5526594 BLXCYZGCBQPBAP-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB C=CCOC(=O)C1=C(C)NC(SCC)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1 20080387 WZRSOEQODKIMCR-SFHVURJKSA-N 386.473 3.579 50 40 GHGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1cc2ccccc2cc1O 829247 RGDBGPZQGPHKTA-UHFFFAOYSA-N 386.407 3.539 50 40 GHGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 103099692 PCPVQKJINZHAPX-CYVLTUHYSA-N 385.423 3.692 50 40 GHGB CC(C)(C)c1ccc(/C(CCC(=O)O)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 7976700 LHYLAVYFHDHQKC-RELWKKBWSA-N 397.431 3.891 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccccc1Cl 5887231 NOKQWZMVHQHWSR-HNNXBMFYSA-N 393.790 3.856 50 40 GHGB CCCc1n[nH]c2c1[C@H](c1cc(Cl)cc(Cl)c1OC)C(C#N)=C(N)O2 4453086 KXCGSYOOPCAWMK-CYBMUJFWSA-N 379.247 3.896 50 40 GHGB Cc1cccc(OCC(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)c1 6333207 BBIVNSQGXSALGY-UHFFFAOYSA-N 388.467 3.743 50 40 GHGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Cl)c1O 59475354 DMFKUQZAILMYCL-FOKLQQMPSA-N 383.835 3.770 50 40 GHGB O=C(OCc1ccc([N+](=O)[O-])cc1)Oc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 104162650 CRKVBWBAVHVPRE-UHFFFAOYSA-N 397.683 3.780 50 40 GHGB CN1CCN(C(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 26967638 SMPORQFSZBSSFG-JLHYYAGUSA-N 390.270 3.934 50 40 GHGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)c1 8555655 HYWZEQIDWJVDLE-MRXNPFEDSA-N 378.457 3.982 50 40 GHGB Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3)cc2)cc1 408737835 YDZDXLHENDMRHG-MFKUBSTISA-N 383.407 3.850 50 40 GHGB O=C(N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccccc1-n1cccc1 30802646 HGTYFPSZSHHBAS-KQWNVCNZSA-N 399.410 3.940 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC)c2O)cc1 223172206 DLYLRIUIMOQCLZ-VBKFSLOCSA-N 380.400 3.513 50 40 GHGB O=[N+]([O-])[C@H]1C[C@@H](Cl)CC[C@H]1SS[C@@H]1CC[C@@H](Cl)C[C@H]1[N+](=O)[O-] 5188084 XPLHORMIMYFFDC-ZNSALQAWSA-N 389.326 3.978 50 40 GHGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\C=C\c1ccccc1 17041473 IATXDXCPZMRSHG-XMLSKVTLSA-N 391.258 3.930 50 40 GHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 4550814 MDPSFCKNZGRMAZ-FOWTUZBSSA-N 394.431 3.995 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1Br 3085479 XBOYNPQGHKIMFW-DJKKODMXSA-N 397.656 3.640 50 40 GHGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(SC)c3)[C@H]2C1 4457892 OGSLPWOKGZZRMP-VQTJNVASSA-N 389.528 3.544 50 40 GHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 7782300 JYUAKQOFCJZHME-SRZZPIQSSA-N 392.242 3.647 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(OC(C)C)c1 409348990 QWNXKRUVNTWBIV-SSDVNMTOSA-N 384.432 3.754 50 40 GHGB CN(C)c1cccc(C(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)c1 3445720 MCHVYWDSJZJDRJ-UHFFFAOYSA-N 387.483 3.736 50 40 GHGB C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 409009405 FIXYATZSGRAEJN-LPYMAVHISA-N 397.431 3.771 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(C)c(Br)c2)c(OC)c1 33671216 TVDADUYXZLMGPC-VXLYETTFSA-N 377.238 3.539 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Oc2ccc([N+](=O)[O-])c3cccnc23)cc1 834291 ANNGWHGEOMRRMM-SDNWHVSQSA-N 375.340 3.664 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc([N+](=O)[O-])ccc1Cl 706074 YFLFZJISCKNRLM-HNNXBMFYSA-N 395.758 3.573 50 40 GHGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 4953694 MHHINQPMNBVFSM-NTUHNPAUSA-N 385.763 3.719 50 40 GHGB CC(C)(C)NC(=O)[C@@H](Br)[C@@H](Br)c1ccc(C#N)cc1 3172963 DMJZOKRFIGZXSJ-RYUDHWBXSA-N 388.103 3.672 50 40 GHGB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12 2366047 IWOCHISJTBUDMW-WQGFDPGOSA-N 384.480 3.624 50 40 GHGB Cc1ccc(C)c(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 13135424 UQZRXKZONYJIHU-OVCLIPMQSA-N 379.372 3.529 50 40 GHGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(OCC)c2)cc1OCC 409325573 ZFHZKYCITGQNLN-HAHDFKILSA-N 398.459 3.821 50 40 GHGB Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)/C=C/c2ccccc2)c1 408996510 IKRJOBBJUWBGPI-CCEZHUSRSA-N 399.450 3.722 50 40 GHGB C=CCc1cc(/C=N\NC(=O)c2cccc(Br)c2)cc(OC)c1O 409213943 WMAXEDKEGWOIGI-JAIQZWGSSA-N 389.249 3.656 50 40 GHGB CCc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)O)c(Cl)c1 408855496 FQJWKVUBZHXRQR-JMIUGGIZSA-N 375.812 3.521 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OC 6960126 NKEUHFJTAVTSSF-RGVLZGJSSA-N 391.265 3.929 50 40 GHGB C/C(=N\NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C)c1ccccc1 5101092 FONOMDGWNBEUJA-FYJGNVAPSA-N 399.907 3.768 50 40 GHGB O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 7951409 YBVKCWREUJFYOU-DHRITJCHSA-N 396.406 3.759 50 40 GHGB CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CI)OC2)CC1 95740400 VGHJXOOELHXTLQ-LBPRGKRZSA-N 395.281 3.618 50 40 GHGB in-vitro O=C(N/N=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccncc1 409120785 UAKIYXNCIPELIC-BKUYFWCQSA-N 378.413 3.905 50 40 GHGB O=[N+]([O-])[C@H]1C[C@@H](Cl)CC[C@H]1SS[C@H]1CC[C@@H](Cl)C[C@H]1[N+](=O)[O-] 5188077 XPLHORMIMYFFDC-SQJYRNMJSA-N 389.326 3.978 50 40 GHGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(F)cccc1Cl 58915705 IDEZDOAQJFBRMI-UFWORHAWSA-N 381.816 3.771 50 40 GHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 59426611 OIGHUILGPLNKJG-WSDLNYQXSA-N 382.803 3.991 50 40 GHGB Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccccc3)c2)c1 409264948 LXVRXTVZGOZSES-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Br)c1O 409270091 CAMMPCULOVVYTJ-VXLYETTFSA-N 377.238 3.626 50 40 GHGB CC(C)(C)c1n[nH]c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 4494654 MFTOTHLPVGIHJN-LBPRGKRZSA-N 391.244 3.827 50 40 GHGB COC(=O)[C@@H](Cl)[C@@H](Cl)c1cccc([C@H](Cl)[C@H](Cl)C(=O)OC)c1 68563456 MXRXXKSKCXFTAW-BJDJZHNGSA-N 388.074 3.807 50 40 GHGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)NC1CCCC1 409193299 IUJWHRDVSLZMSO-UYRXBGFRSA-N 390.439 3.930 50 40 GHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708973 VXQVGWUHQBMZRD-VTGBELTLSA-N 390.846 3.588 50 40 GHGB O=C(N/N=C/c1cc(OC(F)(F)F)ccc1Br)c1ccncc1 95611623 GPZDALWPUMBVGJ-DNTJNYDQSA-N 388.143 3.507 50 40 GHGB Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccncc3)cc2)ccc1Cl 21876373 IOHYAMWNJTVGLZ-UHFFFAOYSA-N 395.846 3.697 50 40 GHGB CC(C)CCn1c(O)c(C(=O)N/N=C/c2cccc(F)c2)c(=O)c2ccccc21 6134706 RWFFAEXEWWJETQ-ZMOGYAJESA-N 395.434 3.656 50 40 GHGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CCN(Cc1ccccc1)C2 20168322 FBPIRROKBOKFBV-UHFFFAOYSA-N 392.908 3.660 50 40 GHGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cc2cc(F)ccc2[nH]1 32755000 HMKQXULQJYOEQB-UHFFFAOYSA-N 377.828 3.514 50 40 GHGB CCc1[nH]nc2c1[C@H](c1ccc(OC3CCCC3)c(OC)c1)C(C#N)=C(N)O2 4631734 CFCYFRIUXVAYDF-GOSISDBHSA-N 380.448 3.520 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 408959829 GMRQSPJQDMRWFM-WSDLNYQXSA-N 378.384 3.726 50 40 GHGB CC(=O)N(C)c1nc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cs1 98055250 QITWKNQKKMPTBQ-XNTDXEJSSA-N 376.441 3.825 50 40 GHGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccccc3N)o2)c1 408998281 PSYCJYSUFNUPKZ-FOKLQQMPSA-N 397.818 3.733 50 40 GHGB C#CCn1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21 409393483 XRZFMDAQKOJFDF-CVKSISIWSA-N 380.451 3.990 50 40 GHGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1949976 KXGQKMBVBAJWNP-UDWIEESQSA-N 375.812 3.866 50 40 GHGB O=C(COc1ccc(Br)cc1)N/N=C/c1cccn1-c1ccccc1 59248239 ROJCVICKJNQMJE-FYJGNVAPSA-N 398.260 3.769 50 40 GHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 1663029 QGAPJHGYXYHYAL-RFFZPADBSA-N 384.175 3.689 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C 5211267 PMUGGBUBTGSEKO-UEPUVOOYSA-N 399.535 3.906 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1 408965042 FQSVPAGDNUCZNX-WYMPLXKRSA-N 391.358 3.508 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2Cl)c(Br)c1 1433592 ZHFZLEOGZJOHEZ-DJKKODMXSA-N 381.657 3.940 50 40 GHGB CC(=O)OCc1c(C)cc(C)c([C@@H]2C(C#N)=C(N)Oc3ccc(O)cc32)c1C 1106670 FQHBAJZQHDGLBO-NRFANRHFSA-N 378.428 3.599 50 40 GHGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc2c(cc1Cl)OCO2 408533945 UCJUCVXOSYYIAZ-HCGXMYGOSA-N 399.756 3.650 50 40 GHGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(OC2CSC2)c1 4502734 PWPCVAMDZFYOJO-FPQGOQEYSA-N 386.542 3.953 50 40 GHGB O=C1C[C@@H](c2ccccc2Cl)c2c(sc3c(=O)[nH]c(CCl)nc23)N1 5491330 SGOJYAXIFCHTLL-QMMMGPOBSA-N 380.256 3.851 50 40 GHGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(F)cc1 4739757 WENPUPYFEXFDCT-QINSGFPZSA-N 375.359 3.860 50 40 GHGB COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccccc2O)[nH]n1 9007644 GBIRCCBWGXLUQI-YDZHTSKRSA-N 386.411 3.708 50 40 GHGB CC1(C)CC([C@@H](CBr)N2C(=O)c3ccccc3C2=O)CC(C)(C)N1 72434047 PGTOHXGWGSZEIY-OAHLLOKOSA-N 393.325 3.603 50 40 GHGB Cc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1Br 409365646 RFYJTQAUIJHJKS-AWQFTUOYSA-N 380.673 3.973 50 40 GHGB CC(=NNC(=O)c1cccc(Cn2cccn2)c1)c1ccc(Br)cc1 263627194 LPVVDSREYURTEH-UHFFFAOYSA-N 397.276 3.848 50 40 GHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)c(OCC)c1 20176130 JVCCHSRBFYUWIX-OQLLNIDSSA-N 380.400 3.758 50 40 GHGB C[C@@H](Br)[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 4826177 KOONAXUBBZQRIW-KTOBFBLQSA-N 375.310 3.762 50 40 GHGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1 59514918 CNWSALNYVOZILS-RGVLZGJSSA-N 388.265 3.808 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(OC)c1 704682 VKPYFTXLBNUYEK-KEBDBYFISA-N 378.881 3.741 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 59473078 HECLZPJFJFNAID-ZICWZVMQSA-N 378.881 3.988 50 40 GHGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)sc(C)c1C 2356616 NETHWKQNFQGHLB-RIYZIHGNSA-N 399.428 3.996 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1Cl 4672939 PBDLOPRJKXQHDY-SSDVNMTOSA-N 383.791 3.546 50 40 GHGB COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409124876 DEQRYFWTKMPHRQ-OAHLLOKOSA-N 378.259 3.732 50 40 GHGB CN(C)c1ccc(C(=O)NN=C(CC(=O)c2cccs2)C(F)(F)F)cc1 408952374 KEHVKXWMBKLUEM-UHFFFAOYSA-N 383.395 3.735 50 40 GHGB Cc1cc(C)c2[nH]c(=O)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 876508 AAWORZDLKCZHER-GOSISDBHSA-N 389.455 3.596 50 40 GHGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1 6579620 RXJLZQWZFHXZGG-SSDVNMTOSA-N 383.791 3.546 50 40 GHGB O=C(CN1CCCCC1)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 821737 RPOCCHVMTFTPNZ-UHFFFAOYSA-N 395.894 3.879 50 40 GHGB Cn1c2ccccc2c2cc(C(=O)NNC(=O)c3c(F)cccc3F)sc21 1386894 NIEKLPZTGQHGEL-UHFFFAOYSA-N 385.395 3.746 50 40 GHGB CCOc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)ccc1OC(=O)c1cccs1 100634269 ZMSLPUDDKXSVLA-RIYZIHGNSA-N 390.424 3.533 50 40 GHGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1 59502278 BMTBCPDMHWLXHS-UDWIEESQSA-N 389.249 3.786 50 40 GHGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 2213753 IYZRKMBGNIXAHX-SFHVURJKSA-N 393.830 3.670 50 40 GHGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(Cl)cc3Cl)CC2=O)cc1 409152183 AMCQHNNIKMOXHR-FIEDDBFWSA-N 390.270 3.805 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1 4739366 ZKKOOYADTGBOTN-WSDLNYQXSA-N 392.371 3.555 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccc21 408815019 SVTKAHNWEGQVHI-GHRIWEEISA-N 393.487 3.869 50 40 GHGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(Cl)cc3Cl)CC2=O)cc1 409152186 AMCQHNNIKMOXHR-ISNLTARASA-N 390.270 3.805 50 40 GHGB O=C(CSc1ccc(Cl)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 15900745 YSTDUPGXAQFPJN-UHFFFAOYSA-N 378.925 3.796 50 40 GHGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc2ccccc2cc1OC 6646896 OWSPBIWLFXALAY-CIAFOILYSA-N 379.372 3.529 50 40 GHGB CC1=C/C(=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 35074746 ZGZQUDHTWVPIKX-PYCFMQQDSA-N 397.500 3.930 50 40 GHGB COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)sc2c1 3233022 JHOSVUJXNZKGIB-REZTVBANSA-N 379.781 3.828 50 40 GHGB O=C(CSc1nc(-c2ccccc2)cs1)NNC(=O)c1ccccc1F 12751902 YEBBEFWUOYAQKM-UHFFFAOYSA-N 387.461 3.503 50 40 GHGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(O)cc1 6251820 ADMVVEICGLIWEO-GIJQJNRQSA-N 379.279 3.538 50 40 GHGB O=C(O)CC/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 5517926 JQSAFDVRDYIAQC-HMMYKYKNSA-N 393.212 3.587 50 40 GHGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2N)o1 408586885 CVKZFRWWYPNJMA-ZMOGYAJESA-N 385.427 3.787 50 40 GHGB COc1cccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1 408566725 AZTKRJLASSMLAK-UDWIEESQSA-N 388.514 3.703 50 40 GHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(O)c1 408792757 CLDSDGCLFKLBOI-XNTDXEJSSA-N 380.404 3.692 50 40 GHGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 408742135 VAJABVHZUSUYBV-MNUWJXFPSA-N 389.242 3.748 50 40 GHGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)c3ccccc3)=C2C#N)cc1 40486361 BRNXMXQUTBNEQA-KRWDZBQOSA-N 378.453 3.650 50 40 GHGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 58914848 NYZHTXKMSNKMOX-LPYMAVHISA-N 387.867 3.889 50 40 GHGB CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccccc1 4179714 YHTTTYXCNWUNAK-HZHRSRAPSA-N 397.479 3.783 50 40 GHGB COc1ccccc1OCCOc1cccc(/C=N/NC(=O)c2ccccc2)c1 4499465 SOVDYVCRBZNLPX-JJIBRWJFSA-N 390.439 3.917 50 40 GHGB CCOc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc1Cl 408781867 CNEYXASQIVJSET-FJQWMWCYSA-N 391.862 3.946 50 40 GHGB Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(/C#N)C(=O)NC(C)C 48251472 TUMCMRQUGNNKNM-ZSOIEALJSA-N 377.275 3.978 50 40 GHGB CCOc1cc(/C=N/NC(N)=O)ccc1OCCOc1cc(C)ccc1C(C)C 5953501 QTXBVGCWOBWHKI-ZVHZXABRSA-N 399.491 3.977 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 8372180 GDFVPDJUDQPHKM-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 108207064 BOPYRRXLYMRGGX-ZROIWOOFSA-N 385.217 3.781 50 40 GHGB CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408966844 NUFWAQAFWDSYBZ-LSHDLFTRSA-N 375.787 3.522 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1ccccc1 5006539 OAWJKTDWZVMLLL-XSFVSMFZSA-N 394.471 3.724 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 59473147 YWWKJWGYIAVZAL-DQAKUKQTSA-N 376.865 3.758 50 40 GHGB C=CCc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(OCC)c1O 59679638 OXCVKPPMKGQVCU-WSDLNYQXSA-N 388.851 3.702 50 40 GHGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(Cl)cc1Cl 408741115 NYTXSUUPOWZWCE-LKKXKRCMSA-N 389.242 3.748 50 40 GHGB COc1ccc(Oc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)cc1 408723703 BDEDZTOXXHHAMO-YDZHTSKRSA-N 390.395 3.980 50 40 GHGB COc1cccc(SCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 40140456 RHTKXRRAXNPPPH-UHFFFAOYSA-N 388.533 3.541 50 40 GHGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 58886743 UTEDDJVSCRETCA-KWJZBXMYSA-N 393.399 3.819 50 40 GHGB C/C(=N\NC(=O)c1ccccc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643624 OIEBAEGRFMTLDU-PCLIKHOPSA-N 397.434 3.850 50 40 GHGB COc1cccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1OC 6259233 OMZXZHOXZMBHOU-VXLYETTFSA-N 385.401 3.591 50 40 GHGB COCCOc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 20133479 AZVDLYQVWZHYFR-CYBMUJFWSA-N 387.299 3.680 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc3ccccc23)cc1 101439283 CLMVQJPGAPPMGW-BUVRLJJBSA-N 375.428 3.983 50 40 GHGB Cc1c(/C=N/NC(=O)c2ccccc2)c2ccccn2c1C(=O)c1ccncc1 3173014 WFBSYVURDNKBOA-MFKUBSTISA-N 382.423 3.638 50 40 GHGB CCn1c2ccccc2c2cc(/C=C(\C#N)c3nn(CCO)c(N)c3C#N)ccc21 27531911 DOCRUKIFNWHTQH-LFIBNONCSA-N 396.454 3.521 50 40 GHGB CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)c2ccc(F)cc2Br)C1(C)C 84671058 PYMUPPBUUPZHOX-TZMCWYRMSA-N 383.261 3.588 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1O 408598949 LUPHFAPGUNOHKM-CIAFOILYSA-N 379.372 3.616 50 40 GHGB COCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2C#N)c2ccccc12 5007785 GPZTUKHRNCFNPY-DEDYPNTBSA-N 398.466 3.539 50 40 GHGB CCCOc1cccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1 9204356 HIGSHLXFWPVLIP-DEDYPNTBSA-N 375.266 3.931 50 40 GHGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4503767 WZNGWSKTGZRWHR-BUVRLJJBSA-N 388.423 3.987 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1 4735327 BMGQUXNJRLSKNI-UCBGLXEOSA-N 388.221 3.715 50 40 GHGB COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Br)o1 7061716 ISSHXYUXDZVDOI-AUWXEVLLSA-N 389.249 3.767 50 40 GHGB CC(C)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@H]32)cc1 20026583 APQRTCMDMWQSJX-IRLDBZIGSA-N 385.515 3.944 50 40 GHGB COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)Nc1ccccc1OC 409235810 BWGPLAJBZBAOLK-JCMHNJIXSA-N 382.464 3.850 50 40 GHGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC 136729930 BYEDUIMBKVUTPL-NHDPSOOVSA-N 392.839 3.528 50 40 GHGB CCOC(=O)[C@H](Br)[C@@H](C(=O)OCC)c1ccc(C)c(Cl)c1 12274247 VVGKSLJKENWXJD-QWHCGFSZSA-N 377.662 3.622 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 4474973 ONFIZXLYSNXFNI-UDWIEESQSA-N 376.865 3.759 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)NCc2cccnc2)ccc1OCc1ccccc1 27019290 DCJOFTBKFMCPDZ-CIAFOILYSA-N 399.450 3.893 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933267 ADZTZVHPQPNGPU-FOKLQQMPSA-N 396.834 3.605 50 40 GHGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1cccnc1 33160881 CMOYQWFLLMVCOH-ZMFRSBBQSA-N 399.454 3.566 50 40 GHGB CC[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@H]2C1 5408653 MMCLSZOTVXTBKG-XXHMAFKTSA-N 388.471 3.934 50 40 GHGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C1\C(=O)N(C(C)C)c2ccccc21 2742988 KXHOZSPPUOORGS-ATJXCDBQSA-N 388.427 3.539 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)cc1OCC 5130138 QDYWZHJNFXMDMN-QQHUYRGFSA-N 387.505 3.900 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@H]1c1ccco1 409134763 PQRHSDZZFOIXMN-LLVKDONJSA-N 387.848 3.644 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1 408725725 JCWFFVPYUDIGPD-CIAFOILYSA-N 379.372 3.936 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)o2)cc1 408964662 DBDGBXDCNADUGZ-WYMPLXKRSA-N 391.358 3.508 50 40 GHGB CSc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 8169580 LXKJVGJXEUJTGR-FVUPAENESA-N 387.892 3.565 50 40 GHGB O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccccc1)c1ccncc1 18194597 XUNNRFDYOMLMRI-PLRJNAJWSA-N 387.468 3.884 50 40 GHGB CC(C)c1n[nH]c2c1[C@@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 709759 FMYKWPCZIJPXLF-LBPRGKRZSA-N 377.217 3.653 50 40 GHGB COC(=O)c1c(C)[nH]c(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c1C 32845606 DGNXPOAWKDEHQL-UHFFFAOYSA-N 391.471 3.765 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 670321 VIGJLGSQSZYHIW-HYARGMPZSA-N 375.384 3.938 50 40 GHGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cccc1[N+](=O)[O-] 59435283 MBEMZAMPMJGTFI-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB CN(C)c1cccc(C(=O)NNC(=O)c2ccc(CSc3ccccc3)o2)c1 28438354 ADOFTXRPSHEFGR-UHFFFAOYSA-N 395.484 3.713 50 40 GHGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)NCCCc1ccccc1 409250683 XWATVHVFRTWBIM-SILNSSARSA-N 399.450 3.831 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@@H]1c1cccs1 409129270 JEGVBDQUASMWOO-NSHDSACASA-N 387.461 3.598 50 40 GHGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(O)cc2)cc1OC 33763867 VLHFGRPKQXWOJO-OVMKCGGTSA-N 376.840 3.995 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccccc1 96481752 LAIINEDXBZIVGC-OYKKKHCWSA-N 375.428 3.620 50 40 GHGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccccc2)c(OC)c1 959479 BCAUQDXBLVZIGT-QGOAFFKASA-N 379.412 3.703 50 40 GHGB C=CCOc1cccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)c1 408727222 PGTRHOIJJRNKIS-UDWIEESQSA-N 385.445 3.543 50 40 GHGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 408839255 POGFDJHLZMTBGV-GORFKQKZSA-N 385.423 3.808 50 40 GHGB C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 408852627 MDONWHIYJIJWQF-MTJSOVHGSA-N 397.228 3.971 50 40 GHGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 59333214 YYXGPEPCHLLJQP-LGMDPLHJSA-N 381.863 3.604 50 40 GHGB CC(=O)Oc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 59473290 ZQDMVRPTZIARPS-KEBDBYFISA-N 376.865 3.649 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 5164057 MZZYKXWCKJLUQN-GOSISDBHSA-N 388.427 3.702 50 40 GHGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@@H]1c1ccccc1Cl 33775844 PJQHQIKZSCLDQQ-CFCCAZDESA-N 381.863 3.973 50 40 GHGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1Cl)c1cccnc1 73111896 QSEQKPVQNFUNRE-UUYOSTAYSA-N 399.709 3.783 50 40 GHGB COc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)c(Br)c1 1435034 HRKKYDBCFOWHPX-DJKKODMXSA-N 397.656 3.640 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])s1 1437969 YUBPCAFDGCDSOW-XIKOKIGWSA-N 393.424 3.865 50 40 GHGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1Br 4892674 ZCBDSPKUWBPPRZ-NTEUORMPSA-N 387.233 3.830 50 40 GHGB Cc1ccccc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 4954395 DDUWNOCMUWTKJS-CVQPQMNISA-N 389.480 3.978 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 101927702 NFLVLWBAVWRDFF-ZMOGYAJESA-N 387.439 3.738 50 40 GHGB N#Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Cl)c2O)c(F)c1 408964739 DOSNYAJSRFFBHY-SCDVKCJHSA-N 396.603 3.583 50 40 GHGB CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 409148588 ZNFZEQSGQRGKFH-INIZCTEOSA-N 389.249 3.663 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(C)c(C)c1 409180971 ZXXKIFFVJPGTGA-LPYMAVHISA-N 399.288 3.771 50 40 GHGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc(C)c(C)c1 409003024 YEDHKEZDASVVGI-YDZHTSKRSA-N 397.479 3.620 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408960281 KQBUAEZJPBYNMR-WSDLNYQXSA-N 378.384 3.726 50 40 GHGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc(C)cc1OC 409247302 MGASZOVPFWAVDB-HZHRSRAPSA-N 381.476 3.766 50 40 GHGB CO[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 263604356 OOXMKLJEENKKJP-BYNSBNAKSA-N 380.706 3.649 50 40 GHGB N#Cc1ccc(OCC(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1 5560527 LCHBOMKNOQWTOQ-UHFFFAOYSA-N 383.451 3.895 50 40 GHGB N#CC1=C(N)O[C@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccccc1 5604288 NWGBPCLASWEUOS-FCEWJHQRSA-N 384.361 3.875 50 40 GHGB NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12 1509284 XNFCYHXANMECRY-UHFFFAOYSA-N 376.641 3.921 50 40 GHGB O=C(N/N=C/c1cccc(Cl)c1)c1cccc(I)c1 704491 ODNIQBMYXJCFJA-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB Cc1cc(C)c2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)cc(C)c2c1 12542209 PHEQDEKRYAUEHU-UHFFFAOYSA-N 397.475 3.852 50 40 GHGB O=C(CSc1ccc2ccccc2c1)NNC(=O)Cc1c[nH]c2ccccc12 6558064 OUFIICMITHUFCA-UHFFFAOYSA-N 389.480 3.803 50 40 GHGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1cccs1 5582303 YHSPCAJKZGIMOF-VXLYETTFSA-N 393.306 3.919 50 40 GHGB COc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(OC)c1O 30802757 BZECXOYVFGIUOA-DCDHDZCOSA-N 396.487 3.961 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)c3ccccc23)cc1 4710497 JYPFUZLNEHZZDK-RVDMUPIBSA-N 389.411 3.670 50 40 GHGB N#C/C(=C/c1ccccc1Br)C(=O)N1CCN(c2ccccc2)CC1 408784006 QGOHGWBWZQGVBN-VKAVYKQESA-N 396.288 3.705 50 40 GHGB CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc([N+](=O)[O-])ccc1O 408864999 AMPCQASZFZFAPG-MTJSOVHGSA-N 379.372 3.616 50 40 GHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)o1 409224896 IZBSGXCNXVQQQR-WSDLNYQXSA-N 381.363 3.995 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 6206220 OWHVYFDTOWZAMB-CIAFOILYSA-N 379.372 3.936 50 40 GHGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1cccc(Br)c1)C2 8336796 SLZDCPVKMRPNBK-ZVBGSRNCSA-N 386.293 3.532 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1ccccc1 5512865 WQYCRYHBPCWXOO-OEAKJJBVSA-N 376.412 3.744 50 40 GHGB N#C/C(=C/c1ccc(-n2cncn2)c(F)c1)C(=O)c1c[nH]c2cc(F)ccc12 40139913 YVQAITVJYUVLOK-ACAGNQJTSA-N 375.338 3.817 50 40 GHGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 2758366 XKBGPOLYTZWTDX-FYNNQVSNSA-N 381.432 3.852 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1O 59117185 VOWOHEMZMFCTRM-WDZFZDKYSA-N 391.196 3.848 50 40 GHGB CC(C)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@@H]32)cc1 20026585 APQRTCMDMWQSJX-UNMCSNQZSA-N 385.515 3.944 50 40 GHGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 17079063 RSLHUTZLYULBFB-FOWTUZBSSA-N 387.399 3.943 50 40 GHGB COc1cc(OC)c(OC)cc1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 6930979 RNSZWJPCEHFQKJ-OVCLIPMQSA-N 393.848 3.704 50 40 GHGB N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccccc1I 408760839 AGFAAEAZPABDJU-WQLSENKSSA-N 390.180 3.542 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OC 409189189 FEDGAJLQCUTUNH-JYRVWZFOSA-N 393.281 3.822 50 40 GHGB NNC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)c(Cl)c1 226334688 HFHZDTPEVSYTCX-FNORWQNLSA-N 381.657 3.685 50 40 GHGB CCOC(=O)c1cccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 7572384 FOHNEHQDVVZSBI-SFQUDFHCSA-N 390.848 3.767 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)c(OC)c1 7894086 XRYTUZVRGAZJTK-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc3c(c1)OCO3)[C@@H](Br)C2=O 102872465 VDMURGWMUKEYRQ-MORSLUCNSA-N 394.265 3.513 50 40 GHGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 4703147 SEQJDAHELMFWNG-FOKLQQMPSA-N 377.366 3.918 50 40 GHGB C/C(=N/NC(=O)c1cc(Cl)ccc1O)c1cccc(NC(=O)C(F)(F)F)c1 5725180 YASOAXHKKUCSIR-AQHIEDMUSA-N 399.756 3.700 50 40 GHGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1 409360308 DRIFLFIDCCCQDI-YDZHTSKRSA-N 376.412 3.954 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1Br 408754297 PYNSVIZWLXFZBQ-RGVLZGJSSA-N 391.265 3.929 50 40 GHGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(OCc2nc3ccccc3[nH]2)cc1 12967516 YIEYSKUKGANANG-YDZHTSKRSA-N 386.411 3.611 50 40 GHGB CCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 3089681 VEUJTCKGMSDFBJ-HZHRSRAPSA-N 397.475 3.987 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(O)c1 710343 XBEVTNMIQYQJLI-CIAFOILYSA-N 398.488 3.622 50 40 GHGB COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1OC 59473258 UNEYFDFXQFLGQI-ZICWZVMQSA-N 378.881 3.988 50 40 GHGB Cc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccccc1 3299774 NSVZWROIJPAATE-UHFFFAOYSA-N 381.863 3.751 50 40 GHGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408743339 SDUTUOMHHFGSIO-UVTDQMKNSA-N 382.217 3.897 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1O[C@H](C)C(=O)O 409010387 DPWKPPUAHNULEV-DISPHTKASA-N 394.427 3.710 50 40 GHGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1 409186795 HYHVPXQEKBIQCI-NHDPSOOVSA-N 389.839 3.826 50 40 GHGB COc1ccc(SCC(=O)N/N=C\c2ccc(N3CCCC3)c(F)c2)cc1 409108964 ZXMVOMXIWZILLR-XKZIYDEJSA-N 387.480 3.677 50 40 GHGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 3140585 MNEGDPRLFNFEEW-WSDLNYQXSA-N 398.802 3.681 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 6216139 PRIPFWWRVXJZCI-CIAFOILYSA-N 379.372 3.936 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1ccc(Cl)cc1Cl 4262748 DEXXXFCFYZQRBI-SECBINFHSA-N 375.137 3.953 50 40 GHGB CCn1c(C)nc2cc(C(=O)N/N=C3\C(O)=Nc4c(C)cc(C)cc43)ccc21 102948498 ZKCURVAMYUQTJN-UHFFFAOYSA-N 375.432 3.717 50 40 GHGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1cccnc1 3335217 DOXJGRXMHYIHST-LSHDLFTRSA-N 388.258 3.706 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC#N 408799228 YJHSENAQBULNOD-MDWZMJQESA-N 383.791 3.502 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 408997939 PHOZJCIAAMOKHF-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N\NC(=O)COc1ccccc1 101540637 CXVWQHRZXIFNOW-WSDLNYQXSA-N 394.258 3.893 50 40 GHGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccccc1F 6528526 QSPWPXGDFVBWSG-DJKKODMXSA-N 381.270 3.972 50 40 GHGB Cc1ccccc1C(=O)N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1 9201587 NQMYTYVFHIOLEO-CIAFOILYSA-N 379.372 3.839 50 40 GHGB COc1ccc(CN(c2ccccc2)S(=O)(=O)[C@H](C)Cl)cc1[N+](=O)[O-] 1083952 QRYVKNXOQWDKMQ-GFCCVEGCSA-N 384.841 3.525 50 40 GHGB Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 1433567 XVHXFSWDXIGSBJ-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB Cc1occc1C(=O)NNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 12891045 XUECBGWXIPLBPC-UHFFFAOYSA-N 387.395 3.985 50 40 GHGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 19852509 KPSQNEAHAHLMMD-LEWJYISDSA-N 385.515 3.729 50 40 GHGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1CC=C 408769239 PQCKTUDJWYHBLQ-YBEGLDIGSA-N 387.277 3.621 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1O[C@H](C)C(=O)O 409018469 HLRIIPHMDKRBAD-DISPHTKASA-N 394.427 3.710 50 40 GHGB O=C(NN[C@@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccc(O)cc1 408734465 SMBCEGQNQZZBCI-LJQANCHMSA-N 395.846 3.660 50 40 GHGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 36206885 IRHUPGJDCPLGAD-IZZDOVSWSA-N 388.177 3.609 50 40 GHGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(C(=O)O)c2)cc1 408790447 RMFPHNVIDJSZLA-VBKFSLOCSA-N 393.443 3.785 50 40 GHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)c1 408974411 YXJMVLTXZGXNFK-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OC(C)C 6155453 GGODUOVOCQYJDY-LPYMAVHISA-N 383.448 3.595 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3059236 PHAKXSGBFNCEGX-FOKLQQMPSA-N 377.366 3.918 50 40 GHGB N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 13573604 RVKUSDHRCBSMHE-KRWDZBQOSA-N 392.415 3.562 50 40 GHGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccc2ccccc2c1 100923012 YCTHGSRJQRAJBC-OEAKJJBVSA-N 390.399 3.883 50 40 GHGB CC(C)c1n[nH]c2c1[C@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 709758 FMYKWPCZIJPXLF-GFCCVEGCSA-N 377.217 3.653 50 40 GHGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 6204276 RCQAUJHAKNYTGX-CIAFOILYSA-N 379.372 3.936 50 40 GHGB Cc1cc(NC(=O)N/N=C\c2ccc(OCC#N)cc2)ccc1Br 408905625 ZYKOXGOLLURPLD-JAIQZWGSSA-N 387.237 3.816 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1 2661010 MOZZWQADOFJCFT-UHFFFAOYSA-N 396.878 3.585 50 40 GHGB CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1cccc(C)c1 4849267 GJOGQWLGBWLMSM-UHFFFAOYSA-N 393.512 3.967 50 40 GHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccco1 1431172 WBQRSKCPKFVXOK-YDZHTSKRSA-N 392.411 3.645 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccc(F)cc1 2458412 KYKACMUITMQCAM-MRXNPFEDSA-N 399.422 3.675 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)c1 408997088 QYTNGLDSFBPJKZ-UCQKPKSFSA-N 375.428 3.645 50 40 GHGB CC1(C)C(C#N)=C(SCCCOc2ccc(Cl)cc2)NC(=O)[C@@H]1C#N 8987933 QMICAVLUKZGJCP-AWEZNQCLSA-N 375.881 3.873 50 40 GHGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 408763313 ITKUSSQJBAOBRI-UVTDQMKNSA-N 382.217 3.897 50 40 GHGB COC(=O)c1cc(Br)c(CBr)c(Br)c1 115401542 CHYJSLZNYDHTHE-UHFFFAOYSA-N 386.865 3.893 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1OC 4115138 UXGLAJSVAMMZER-MHWRWJLKSA-N 391.427 3.886 50 40 GHGB O=C(NCCCCCCCCCCNC(=O)C(Cl)Cl)C(Cl)Cl 104383087 XYHQZLTUPAFAAF-UHFFFAOYSA-N 394.170 3.947 50 40 GHGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccco2)nc2ccccc12 7781560 AUSQPHNVBOJYEU-FSJBWODESA-N 385.379 3.987 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1OC 2758383 OJLCWUMRBCPRAX-VCHYOVAHSA-N 381.226 3.603 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)n1 25325175 MZLKVHHIGOCKDC-UHFFFAOYSA-N 377.178 3.759 50 40 GHGB O=C(NNC(=O)c1ccccc1O)c1ccc(-c2nc3ccccc3s2)s1 7785034 BIFJWBAAMCVWTK-UHFFFAOYSA-N 395.465 3.805 50 40 GHGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)c1C 33722824 FJWQDSXTYTZJEL-DHDCSXOGSA-N 382.416 3.615 50 40 GHGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 145493293 NOJZBDWKGJELBZ-PDGQHHTCSA-N 395.459 3.945 50 40 GHGB CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)Nc1ccccc1 19811721 JOVALAXFARYWJD-DTQAZKPQSA-N 386.411 3.595 50 40 GHGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1 4994844 VOFYDNHMPQHJCT-HZHRSRAPSA-N 377.448 3.805 50 40 GHGB c1ccc([P+](CCC2O[C@H]3C[C@H]3O2)(c2ccccc2)c2ccccc2)cc1 100700841 WDHNBUIBCONNPW-VSGJHWFKSA-N 375.428 3.884 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1O 409043730 ADZSEKBPSARYGC-LPYMAVHISA-N 391.383 3.643 50 40 GHGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccco2)cc1OC 6180615 NJYPCRMZFCCRPU-IZZDOVSWSA-N 377.194 3.605 50 40 GHGB N#C/C(=C/c1ccccc1I)C(=O)Nc1ccc(F)cc1 3570256 QUVZARXHJSDKCC-XFXZXTDPSA-N 392.171 3.976 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OC(=O)c1ccc(C)cc1 658158 AUDDJRGUZGYDOA-BUVRLJJBSA-N 388.423 3.987 50 40 GHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1O 8812829 RQRCVBXKGUPOGP-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB O=C(OC(CCl)CCl)[C@@H]1CC[C@H](Br)[C@@H](Br)C1 100934402 YFZSLAKWTLZICE-YEPSODPASA-N 396.934 3.703 50 40 GHGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 3671942 CQTVQSKSHWGWCZ-KRWDZBQOSA-N 391.496 3.960 50 40 GHGB CCOc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 24918517 AKEQATIHPKDVRY-NTCAYCPXSA-N 396.487 3.622 50 40 GHGB CC(C)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1Br 408605246 XUCXKYXQZIVXCV-AWQFTUOYSA-N 376.254 3.643 50 40 GHGB Cc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccccc2)c1 409259819 GACHQZQLRNGQEB-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB CCc1cc2cc(C)ccc2nc1SCC(=O)NNC(=O)c1ccc(C)cc1 35288864 YVWOYIPNVUBWNC-UHFFFAOYSA-N 393.512 3.967 50 40 GHGB COc1cc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 66091629 RAOCJHSMGINGGT-VIZOYTHASA-N 385.416 3.802 50 40 GHGB CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2cccc(OC)c2o1 8486056 LPGNPENYPDOPOW-LFIBNONCSA-N 398.422 3.947 50 40 GHGB O=C(NNC(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 724182 ZSROUPUAFIDRSF-UHFFFAOYSA-N 388.048 3.831 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 59515502 FVHBKCMAFWOUCY-CIAFOILYSA-N 396.244 3.691 50 40 GHGB COc1ccc(-n2cccc2/C=N\NC(=O)COc2cccc(Cl)c2)cc1 408949949 COUUULAFTVTHPC-XKZIYDEJSA-N 383.835 3.668 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N(C)Cc2cccs2)c1C 5870465 MPPJWWCTDJEMMZ-WOJGMQOQSA-N 399.516 3.685 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408725945 OEZKKDOVUAVLNK-UFFVCSGVSA-N 384.779 3.854 50 40 GHGB COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(OC)c1OC 409017617 MWPLNWARGNTITE-FBHDLOMBSA-N 388.807 3.876 50 40 GHGB N#CC1=C2SC[C@@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1c1cccc(F)c1 12275381 BETHEISNZHZPTK-OXJNMPFZSA-N 384.407 3.608 50 40 GHGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N32)cc1 12275300 MUADNTGFQBFBJP-GCJKJVERSA-N 392.480 3.647 50 40 GHGB COc1ccc(/C(=N\NC(=O)c2ccccc2)C2=C(O)c3ccccc3C2=O)cc1 26779739 KWIYOVURRYUACL-NJNXFGOHSA-N 398.418 3.995 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1OCc1ccccc1 3574258 JMNUNWCTOOGKCN-ZVHZXABRSA-N 375.428 3.620 50 40 GHGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(N)=O 4738608 YNZMWDUARHTIMQ-CXUHLZMHSA-N 390.443 3.507 50 40 GHGB O=C(N/N=C/c1cccc(Br)c1)c1ccccc1Br 4735464 ZUOMAWTZEPQBOY-RQZCQDPDSA-N 382.055 3.976 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(Cl)c2)c(Cl)c1 409051865 HAPRJBFFUQPQSM-DNTJNYDQSA-N 381.215 3.529 50 40 GHGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 408782004 UZJVYWHFRWNSEE-LGMDPLHJSA-N 377.444 3.872 50 40 GHGB CCOc1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(C(=O)O)cc3)sc2c1 41078073 CJKFMUKUQAONKQ-NTEUORMPSA-N 393.424 3.939 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3OC)o2)cc1 6182599 ZRGOLCSVSMEGFB-LPYMAVHISA-N 378.384 3.506 50 40 GHGB N#CC(C(=O)COC(=O)c1csc2c1CCCC2)=C1Nc2ccccc2N1 5968875 VEIJSCVUAWLJDE-UHFFFAOYSA-N 379.441 3.626 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928796 KANBVJWLEVECNN-JTQLQIEISA-N 395.198 3.860 50 40 GHGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C(\CC(=O)c1cccs1)C(F)(F)F 102658176 RXFFCLQVYXWTLQ-XSFVSMFZSA-N 399.350 3.506 50 40 GHGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409233227 DSYIWLGORYAHMN-VMOJBDSFSA-N 394.427 3.655 50 40 GHGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccccc1Cl 409245987 CBXQZKKOARACCX-VBKFSLOCSA-N 397.862 3.731 50 40 GHGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)[C@@H]1COc2ccccc2O1 5785888 VHYRZHZRFVCSNA-QHCPKHFHSA-N 386.451 3.784 50 40 GHGB CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)c2ccc(F)cc2Br)C1(C)C 61492685 PYMUPPBUUPZHOX-OCCSQVGLSA-N 383.261 3.588 50 40 GHGB CCC[C@H](Br)C(=O)Nc1nc2ccc(OCCOC)cc2s1 20132757 QHCHZOVLZWJNAD-NSHDSACASA-N 387.299 3.824 50 40 GHGB COc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1 4041942 FTKVMKFRVSKWPW-XWIAVFTESA-N 380.282 3.793 50 40 GHGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 5071340 BZKVIRXYQRICAX-FYJGNVAPSA-N 383.249 3.789 50 40 GHGB COc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2C1 6746298 AHWTZRICUPHUHJ-MRXNPFEDSA-N 377.469 3.915 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cccc(OC)c2)o1 8166722 OKAIXJRDPYBJLE-LPYMAVHISA-N 378.384 3.506 50 40 GHGB CC[C@@](C)(CC(=O)NNC(=O)c1ccccc1O)Cc1nc2ccccc2s1 9454666 IENGGXSBPZGNNQ-NRFANRHFSA-N 397.500 3.812 50 40 GHGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1 12137423 AVGDPIYZHFSIKX-OAQYLSRUSA-N 392.455 3.532 50 40 GHGB CC(C)c1c(C(=O)NNC(=O)Cc2ccccc2)cnn1-c1cccc(Cl)c1 32795078 YURFKRVJFXHSNR-UHFFFAOYSA-N 396.878 3.653 50 40 GHGB N#C/C(=C/c1cccn1-c1ccccc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408856219 JIWWZXPCCRDWND-CNJKNJPNSA-N 378.439 3.685 50 40 GHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 408915343 ZRJTYTCDVFQDGC-WEKPXBEKSA-N 395.503 3.792 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC)c([N+](=O)[O-])c3)cc2c1 409188361 YOHVGUTUWAOWIX-JAIQZWGSSA-N 383.360 3.512 50 40 GHGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)NC[C@H]1CCCO1 53625199 OJBWWWGMLWRJJJ-LAINMTBBSA-N 380.419 3.607 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)cc1 6405563 CMPYYPMWTOCMDN-FSJBWODESA-N 375.428 3.895 50 40 GHGB Cc1c(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc2n1Cc1ccccc1Cl 409231103 BPJLPYFEUYJDIH-GDNBJRDFSA-N 392.846 3.753 50 40 GHGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OCC 409319347 DVCBRPUJJZZGGN-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/C=C\c1ccccc1 17041470 IATXDXCPZMRSHG-KAODZUEKSA-N 391.258 3.930 50 40 GHGB Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 662778 YAWNTEWNNPWEMF-QGZVFWFLSA-N 381.432 3.971 50 40 GHGB BrCc1cccc(-c2nn3c(CBr)nnc3s2)c1 100677243 JZHJLYJHTSTIIX-UHFFFAOYSA-N 388.088 3.643 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2OCC)cc1 408823576 GDIKDNBSZKGMKJ-FOWTUZBSSA-N 380.400 3.728 50 40 GHGB N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccccc1C(=O)O 13357370 ZBIKJGWVAOXJPM-VQHVLOKHSA-N 377.219 3.754 50 40 GHGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC 408898423 LDASMNZMSDTGOM-NTUHNPAUSA-N 386.791 3.601 50 40 GHGB Cc1cccc(-c2cccc(C(=O)NNc3nc4ccccc4c(=O)n3C)c2)c1 1543601943 ODWQTFLJVCVRQT-UHFFFAOYSA-N 384.439 3.666 50 40 GHGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 825344 CILJMRUQSJPNII-HYARGMPZSA-N 389.367 3.578 50 40 GHGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1OCc1ccccc1 3167402 RYPWVBPJBAIOPF-HYARGMPZSA-N 375.384 3.938 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1C 3174644 IVQIZAYCGJIIGE-RGVLZGJSSA-N 391.265 3.685 50 40 GHGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)sc2c1CCC2 942085 MCNMIGCZDXGYSK-RAXLEYEMSA-N 382.441 3.578 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NC1CCCC1 58914349 JDTVGTOEEORRQD-FBHDLOMBSA-N 394.258 3.762 50 40 GHGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1 408959888 HMGPPOWSOSGGSD-SRZZPIQSSA-N 393.355 3.625 50 40 GHGB COc1ccc(/C=N\NC(=O)c2cccnc2)cc1CSc1ccccn1 33365905 LIYPNHMDOXCNRW-FMCGGJTJSA-N 378.457 3.541 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)ccc1O 83313376 AZJPRZOOSCRAPJ-CFRMEGHHSA-N 387.439 3.685 50 40 GHGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)NCCc1c[nH]c2ccccc12 96840542 HBLHCDBXZQZQOU-DHDCSXOGSA-N 394.818 3.995 50 40 GHGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccco3)o2)c([N+](=O)[O-])c1 6181698 KZEUAUZWDCEGAI-UKTHLTGXSA-N 393.355 3.680 50 40 GHGB CS(=O)(=O)Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1 14862510 SVSKMQHPQKTSKS-UHFFFAOYSA-N 380.469 3.714 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1COc2ccccc2O1 3162816 QEMSBZROFIPPTE-YQNSVDCASA-N 388.423 3.556 50 40 GHGB CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408947708 CZBDRVOEVSAOLS-PDGQHHTCSA-N 389.455 3.841 50 40 GHGB N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1ccc2c(c1)OCCO2 13140899 UIJLSAWQCMVFCZ-BJMVGYQFSA-N 391.246 3.827 50 40 GHGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1O 409364450 XHPSCPZGXMLWEN-JAIQZWGSSA-N 391.265 3.555 50 40 GHGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C(C)(C)C)cc3)CC2=O)cc1 409157463 VOWPFADMRIAQQR-SMNNTEATSA-N 377.488 3.796 50 40 GHGB O=C(COc1cccc2ccccc12)N/N=C\c1cccn1-c1ccc(O)cc1 409022613 CPBCUVHTGQPYPS-IWIPYMOSSA-N 385.423 3.865 50 40 GHGB N#CCC(=O)N/N=C\c1cc(Br)ccc1OC/C=C/c1ccccc1 32578317 ZLDBHNPRSBIPKD-XUCPKHHMSA-N 398.260 3.905 50 40 GHGB Cc1ccccc1/C=N/NC(=O)c1ccn(Cc2ccc(Br)cc2)n1 1086751 VAIXCBMTIUZYQV-CIAFOILYSA-N 397.276 3.766 50 40 GHGB N#Cc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 3277307 ZMOJLCMNAWCKCP-MFKUBSTISA-N 385.423 3.666 50 40 GHGB CC(C)CCN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2cc(Cl)ccc21 6325514 IEXMHYYSOORGPD-RELWKKBWSA-N 385.851 3.572 50 40 GHGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1Br 5479960 NCUXUNQCPIYGBT-FYJGNVAPSA-N 388.265 3.513 50 40 GHGB Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=C(\C#N)C(N)=O 13644511 FBXSAQDUQQDCGF-FABDANFUSA-N 397.887 3.560 50 40 GHGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OC 6960130 MOWWIMMOMKYTCJ-RGVLZGJSSA-N 391.265 3.929 50 40 GHGB O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1ccncc1 9234368 PRAAYCQUVPLZOO-XYGWBWBKSA-N 384.439 3.879 50 40 GHGB Cc1ccc(-c2cs/c(=N/NC(=O)c3ccccc3)n2C(=O)CCl)cc1 4475438 IHXQBQILFJGJOI-ZBJSNUHESA-N 385.876 3.650 50 40 GHGB Cc1ccccc1OCCC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 6507630 ANASTOYNNKDAMB-UHFFFAOYSA-N 395.484 3.657 50 40 GHGB CCCc1[nH]nc2c1[C@@H](c1ccc(OC(C)C)c(OCC)c1)C(C#N)=C(N)O2 8902569 GKXCJRLQLFDNDJ-SFHVURJKSA-N 382.464 3.766 50 40 GHGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)c(Br)c1 408756344 RLTLCBYPFVPXAL-JYRVWZFOSA-N 385.217 3.903 50 40 GHGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 409108625 XSVSOIDEKFILOR-WSDLNYQXSA-N 392.286 3.902 50 40 GHGB N#CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408842848 CIBBXFIRYJKPPI-NHDPSOOVSA-N 398.216 3.862 50 40 GHGB CCCOc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 409259306 YQVGJPUKMUFJHU-YPFLROGLSA-N 393.487 3.541 50 40 GHGB CC1(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)OCCO1 408873725 WNFSJARUZWIBQO-LPYMAVHISA-N 388.851 3.522 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)cc1C 409000352 XWPDNJJDSFBRFN-ZMOGYAJESA-N 375.476 3.668 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 1433500 ILRKBRZNXAHJKV-FSJBWODESA-N 381.867 3.705 50 40 GHGB COc1cccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c1 2231406 LOKRTJQWNPWCCA-GOSISDBHSA-N 377.469 3.915 50 40 GHGB Cc1csc(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 48234568 FOYHGLHMWRWEHU-GIJQJNRQSA-N 386.458 3.781 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)cc1C 409148008 XRFFCNWGQHMPME-PDGQHHTCSA-N 379.435 3.825 50 40 GHGB COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC 408904360 IGLSZDPFKZXLGM-GRSHGNNSSA-N 392.253 3.930 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Cl 43776192 NJNUKJJXXZNMFY-RGVLZGJSSA-N 391.652 3.878 50 40 GHGB CC[C@H](C)OC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@H](Cl)[C@H]1Cl 245239811 MJYKXJUWZQBIAC-XICLKBMKSA-N 377.655 3.537 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2cccc(Br)c2)cc1OC 14920504 YDTFTWSRPJEHJB-YBFXNURJSA-N 377.238 3.620 50 40 GHGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccnc2)cc1 3353698 RIGPOWHCQSKKML-MFKUBSTISA-N 397.438 3.707 50 40 GHGB CCCc1[nH]nc2c1[C@H](c1ccc(OC(C)C)c(OCC)c1)C(C#N)=C(N)O2 8902571 GKXCJRLQLFDNDJ-GOSISDBHSA-N 382.464 3.766 50 40 GHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1C 28217053 RFNQVWXPJMNUFI-YGPNGPECSA-N 389.455 3.693 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccccc1F 409368038 QLTUNGNCEDWMTQ-LDADJPATSA-N 380.419 3.943 50 40 GHGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 36611955 QJUAQXGZTROCCQ-INIZCTEOSA-N 388.851 3.895 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)CNc2cccc3ccccc23)cc1OC 5128290 CQCQCPNDRTYOJL-BUVRLJJBSA-N 377.444 3.809 50 40 GHGB COc1cc(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1O 8108798 RHNQUBMHPKWVJB-UFWORHAWSA-N 385.272 3.950 50 40 GHGB C=CCOc1ccccc1/C=N\NC(=O)c1ccc(OCC=C)c(OCC)c1 6355071 USAWEOPCMPOMER-KQWNVCNZSA-N 380.444 3.979 50 40 GHGB CN1C(=C(C#N)C(=O)COc2ccccc2C(F)(F)F)N(C)c2ccccc21 31789615 GDULQJCFUBCFLM-UHFFFAOYSA-N 387.361 3.975 50 40 GHGB CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 6961021 WURFBGSICAQANQ-BOPFTXTBSA-N 396.399 4.000 50 40 GHGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl 1480500 PWHWQWCFCWQAPS-CYBMUJFWSA-N 387.650 3.857 50 40 GHGB C[C@H](C(=O)NN=C1CCC(C(C)(C)C)CC1)N(c1ccccc1)S(C)(=O)=O 4616652 AHXZPXBTHHUBLZ-AAFJCEBUSA-N 393.553 3.550 50 40 GHGB Cc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 9218328 LDHVXJOZCCFQFT-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB C=CCn1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21 409366738 XVEFMTWGVJIPOP-OEAKJJBVSA-N 377.444 3.537 50 40 GHGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc2ccccc12 409144793 PCUGQVUFLIOAAH-BUVRLJJBSA-N 377.419 3.579 50 40 GHGB Cc1ccccc1COc1c(Cl)cc(CCC(=O)NN)cc1Br 226342055 LWZQZTJOIRFKPW-UHFFFAOYSA-N 397.700 3.912 50 40 GHGB CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(O)c(OC)c3)[nH]n2)cc1 4995266 QUHXLQAKJNPALW-XKZIYDEJSA-N 378.432 3.507 50 40 GHGB CCc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC)cc2c1 1223581 HXECJRVZOGSNLG-QGZVFWFLSA-N 383.835 3.705 50 40 GHGB O=C(c1ccccc1)[C@@H](O)[C@@](Br)(CBr)c1ccccc1 1594519 FYZRJJCEZLENPQ-HZPDHXFCSA-N 398.094 3.916 50 40 GHGB O=C(COc1ccc(Br)cc1Br)NN=C1CCCC1 4543528 FIJXEUVWVROIHL-UHFFFAOYSA-N 390.075 3.637 50 40 GHGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 408758436 JZABWEIPOBXAOF-UVTDQMKNSA-N 385.217 3.920 50 40 GHGB COC(=O)[C@H](Cl)[C@H](Cl)c1cccc([C@@H](Cl)[C@H](Cl)C(=O)OC)c1 226333574 MXRXXKSKCXFTAW-KKOKHZNYSA-N 388.074 3.807 50 40 GHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 5481011 FBTHIKDKYXCKEP-BUVRLJJBSA-N 387.439 3.988 50 40 GHGB COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccccc1 5726118 BNADJTLKUPCZKF-VXLYETTFSA-N 377.238 3.507 50 40 GHGB CSc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccco2)cc1 12250538 VSJDIYJJQBKKTR-AUUYWEPGSA-N 384.482 3.645 50 40 GHGB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cccc(Cl)c1Cl 676113 HDAKXGYGPASQPE-XTTRTJGBSA-N 382.203 3.819 50 40 GHGB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1cccs1 8184543 XMAASQHGEAKFIX-UHFFFAOYSA-N 379.800 3.579 50 40 GHGB O=C(NN[C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccc(O)cc1 408734463 SMBCEGQNQZZBCI-IBGZPJMESA-N 395.846 3.660 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CCc2ccccc2)o1 14134449 DQTPVHJUDHDRAH-HZHRSRAPSA-N 376.412 3.816 50 40 GHGB COc1ccc(Br)cc1C(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1 5455105 VBSNTHZLWLEJLW-ZDLGFXPLSA-N 392.209 3.520 50 40 GHGB CC[C@@H](Br)C(=O)Nc1nc2ccc(OCCCOC)cc2s1 20132442 IAKUIYJFPBTTLK-LLVKDONJSA-N 387.299 3.824 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 6657074 VSSBJVLQZWJBHR-RGVLZGJSSA-N 399.428 3.981 50 40 GHGB CCOC(=O)NC1=C[C@H]2[C@@H](C=C1)Sc1ccccc1N2C(=O)CCCl 24550371 JMDCXLWRYKPMHW-GOEBONIOSA-N 378.881 3.691 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)cc(OC)cc3[nH]2)cc1 2203158 PUHCXUMMTJRSIO-LPYMAVHISA-N 379.416 3.514 50 40 GHGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1 408993427 CTJUZJWPZCIKIM-LPYMAVHISA-N 379.416 3.628 50 40 GHGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408800396 OXBLNZSQZIXMRI-BRFSQIRFSA-N 379.416 3.995 50 40 GHGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccncc2)sc2c1CCCC2 5016800 DVUHINRIBUREBG-KAMYIIQDSA-N 381.457 3.744 50 40 GHGB CCOC(=O)c1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1 20133471 ABUHQKHTRLZSAV-LBPRGKRZSA-N 385.283 3.831 50 40 GHGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)c1cccc(Br)c1 6896909 IAYMYUAWAOKDOF-ZSOIEALJSA-N 380.245 3.953 50 40 GHGB O=C(CCn1cc(Cl)cn1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 2782659 SOQNHGOVGCPQQN-KEBDBYFISA-N 377.231 3.990 50 40 GHGB CCCCOc1ccc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)cc1OC 12982761 LEDSDHSEOFNNFE-UHFFFAOYSA-N 399.422 3.569 50 40 GHGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 409069198 WPOPXUHNQKWMKX-KGENOOAVSA-N 386.451 3.659 50 40 GHGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(Cl)c1O 8182693 JPMVUNKYRXZMAD-UFFVCSGVSA-N 376.840 3.590 50 40 GHGB CCOc1cc(/C=C(\C#N)c2nc(C)cs2)ccc1O[C@H](C)C(=O)N(C)C 8207411 YNKLTIYYFKYTBQ-BRYYZUPOSA-N 385.489 3.770 50 40 GHGB CC(C)NC(=S)NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 17078304 XYPWLELNHAMCJH-UHFFFAOYSA-N 383.473 3.529 50 40 GHGB CCCCOc1cc(Br)c(/C=C(\C#N)C(=O)NC2CC2)cc1OC 409207311 RVJFFSSDLNYVQD-MDWZMJQESA-N 393.281 3.822 50 40 GHGB COc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1 32109259 ZVYIJEZJTUTKEM-RBFBNPFJSA-N 391.265 3.684 50 40 GHGB C[C@H](Cl)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 5107104 OXISTAUYZKQCHR-JTQLQIEISA-N 386.791 3.980 50 40 GHGB COc1cc(/C=N/NC(=O)c2cc3cc(C)ccc3nc2C)cc(OC)c1OC 685554 NRKHIUCHMRHSGX-FSJBWODESA-N 393.443 3.641 50 40 GHGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 674576 FCZNAIDLVUQRHJ-UHFFFAOYSA-N 381.476 3.798 50 40 GHGB CC1=C(Cl)/C(=N/S(=O)(=O)c2ccccc2)[C@@H](Cl)[C@](C)(Cl)C1=O 4167621 WXAAULWIYQPXCK-OASCQKGGSA-N 380.680 3.517 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OCC 409266888 RYPGVBRTDMBYGA-LPYMAVHISA-N 386.835 3.523 50 40 GHGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)COc1ccc(C)cc1 4690764 BVGJWZDBCHBFFP-KOEQRZSOSA-N 393.487 3.774 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)c(C)c1 2140163 PWFSYDOLKZIHCK-BUVRLJJBSA-N 394.519 3.564 50 40 GHGB C/C(CC(=O)NCCCc1ccccc1)=N\NC(=O)c1ccc(C)c(Cl)c1 4679461 QBUBVLPYNRMJEP-LFVJCYFKSA-N 385.895 3.893 50 40 GHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1C 408592504 YSYMPSOSMGLMBH-ZMOGYAJESA-N 389.455 3.824 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)c(C)c1 409132845 LXTWSKRBALGNEP-AWEZNQCLSA-N 381.457 3.607 50 40 GHGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1 408709042 WSNJXARCUJSDTE-YDZHTSKRSA-N 386.883 3.758 50 40 GHGB Cn1c(SCCCCl)nnc1-c1cccc(I)c1 228977217 HNSNQMMQZHRJQK-UHFFFAOYSA-N 393.681 3.808 50 40 GHGB COc1ccccc1NCC(=O)N/N=C(\C)c1cc(Cl)cc(Cl)c1O 6904206 XYNOTDKGQIYTAT-UFFVCSGVSA-N 382.247 3.660 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929465 VTXDVADQUDAXAA-SNVBAGLBSA-N 395.198 3.860 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc([N+](=O)[O-])c1O 59145578 IFWZJWAGAFMIJC-OVCLIPMQSA-N 381.388 3.862 50 40 GHGB CCOC(=O)/C(C#N)=C\Nc1ncc(-c2ccc(Br)cc2)s1 100937389 JDZXHISJDAVHQU-FLIBITNWSA-N 378.251 3.955 50 40 GHGB Cc1c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2n1C 408905245 VVRGIJGPKNLKNY-NHDPSOOVSA-N 376.372 3.905 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)cc1[N+](=O)[O-] 408531841 OTTSVTBLCGUYGB-CIAFOILYSA-N 379.372 3.692 50 40 GHGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)NC1CCCC1 409192359 WSMHARNQBUBILN-UNOMPAQXSA-N 390.439 3.930 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)N2CCc3ccccc3C2)cc1Br 98086334 BYVZDRCYLALQSB-LICLKQGHSA-N 397.272 3.950 50 40 GHGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408998452 QLZHURKWNSIOBI-FOWTUZBSSA-N 394.431 3.995 50 40 GHGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OC 4453416 AHFICEJSUZJMFX-SFHVURJKSA-N 388.427 3.702 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)[C@@H](OC)c2ccccc2)cc1Br 5620974 MXBQVFKEHHADHY-RONKMWSCSA-N 391.265 3.686 50 40 GHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 4953685 YDPXHJBMOCHJSN-KPKJPENVSA-N 387.779 3.811 50 40 GHGB COc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C)c3)o2)c([N+](=O)[O-])c1 409225522 PEJNYLPOSOLOIY-CIAFOILYSA-N 379.372 3.936 50 40 GHGB O=C(N/N=C\c1ccc(I)cc1)c1cc2ccccc2o1 408852823 IVEIDQBHAMFHFV-ZDLGFXPLSA-N 390.180 3.801 50 40 GHGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CC2(C)OCCO2)c1C 408591526 UPPZFUBYRDGYIN-WSDLNYQXSA-N 389.883 3.659 50 40 GHGB O=C(N/N=C/c1ccc(Br)s1)c1ccc(Br)o1 2790407 ZSBPRNGLMYDPTB-WLRTZDKTSA-N 378.045 3.630 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)cc1 1189755 NUMFHXVCIDXDTR-UFWORHAWSA-N 397.656 3.646 50 40 GHGB NNC(=O)CN1C(c2ccccc2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 3221549 NKSDSFFMHNWECJ-OAQYLSRUSA-N 390.874 3.813 50 40 GHGB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1cccs1 103918395 UWYTYRWNFRAQFK-ATVHPVEESA-N 386.452 3.599 50 40 GHGB COc1cccc([C@H]2CC(Cc3cccs3)=NN2C(=O)CCl)c1OC 4524906 FVNLPFDDZZPEHX-OAHLLOKOSA-N 378.881 3.876 50 40 GHGB C[C@H](Nc1ccc(I)cc1)C(=O)NN=C1CCCC[C@H]1C 5739169 RMICOYUSLWBAOI-NEPJUHHUSA-N 399.276 3.774 50 40 GHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1 408707381 JSWLGSCISJWEIN-LVCXCXRVSA-N 386.883 3.757 50 40 GHGB Cc1[nH]nc2c1[C@@H](c1ccccc1OCc1ccc(F)cc1)C(C#N)=C(N)O2 409148252 XWMBGDOQANPONA-IBGZPJMESA-N 376.391 3.654 50 40 GHGB COc1cc(Br)c(O)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1 408588707 JJNZIUNBKSZDFI-DJKKODMXSA-N 397.656 3.510 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 408724486 FBTVCEWXXXDVLZ-LPYMAVHISA-N 393.399 3.865 50 40 GHGB CCOc1ccc(-c2nc(C)c(C(=O)NNc3nc(C)cc(C)n3)s2)cc1 40080038 DKYGAQHOHFAINA-UHFFFAOYSA-N 383.477 3.681 50 40 GHGB Cc1cccc(NC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)c1C 408850968 SOYLARYYRPWWID-UKWGHVSLSA-N 375.812 3.576 50 40 GHGB C/C(=N/NC(=O)c1ccc(Br)o1)c1cccc(NC(=O)C2CC2)c1 5887392 LNELLIZGBCNUQG-JMIUGGIZSA-N 390.237 3.545 50 40 GHGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)c1nc2ccccc2[nH]1 409046708 LOHZSOPMPNLNLP-KPKJPENVSA-N 398.216 3.853 50 40 GHGB COCCCNC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1 408811319 BJZCCFQECVOGNK-QGOAFFKASA-N 384.863 3.979 50 40 GHGB N#C/C(=C/c1cccn1-c1ccccc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408856209 JIWWZXPCCRDWND-AQFWJMKVSA-N 378.439 3.685 50 40 GHGB O=C(N/N=C\c1cccnc1)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 30742694 DRORPXYWBZETIE-MYYYXRDXSA-N 397.438 3.815 50 40 GHGB CN(C)C[C@@H](/C(Cc1ccccc1)=N\NC(=O)c1ccncc1)c1ccccc1 17215046 NBDFSGIKEMKEQE-BQSZEUOTSA-N 386.499 3.756 50 40 GHGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 35684772 UMGZAXNRUKAWPY-UYRXBGFRSA-N 388.876 3.515 50 40 GHGB COc1cc(/C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O 31260912 KXDONFLNGBQLTN-SDQBBNPISA-N 397.481 3.695 50 40 GHGB N#C/C(=C1\SCC(=O)N1c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 100398029 CXZOPGUWPWTNEX-BMRADRMJSA-N 390.873 3.586 50 40 GHGB CCOc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2C)cc1OC 818274 AXPJSCJKVXCGCZ-IBGZPJMESA-N 395.484 3.702 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(Br)cc1 989347 WVOOPFOMBIPBSI-OAHLLOKOSA-N 394.228 3.509 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1Oc1ccccc1[N+](=O)[O-] 59475436 KJOMLFJYUKGPCW-UDWIEESQSA-N 381.344 3.753 50 40 GHGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccco3)o2)c([N+](=O)[O-])c1 1453276 HZLJCWLASSKKHO-GXDHUFHOSA-N 377.356 3.980 50 40 GHGB CCOC(=O)/C(C#N)=C1/S[C@@H](CC)C(=O)N1c1ccc(Br)cc1 2398689 DISZPSYZPGPQKQ-UESPBHMZSA-N 395.278 3.606 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 13387962 CESQCRLHYQQPGO-KPKJPENVSA-N 387.779 3.811 50 40 GHGB C/C(=N\NC(=O)c1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)cc1 5516960 XUBVDYMJCKJLPS-LPYMAVHISA-N 392.286 3.984 50 40 GHGB Cc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1cccc(Cl)c1 8583094 KHBFYXMLJWJLLF-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 14922035 ISTVMKUSSCBYSC-HYARGMPZSA-N 377.400 3.840 50 40 GHGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccccc2Cl)CC1 409005448 ISBGRYOPFFYZAO-OEAKJJBVSA-N 383.879 3.651 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1ccccc1F 9014848 JBYOYKBFPOKPHY-HNNXBMFYSA-N 381.432 3.536 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([N+](=O)[O-])cc1 35376313 INPITFYMJUCLKO-ODLFYWEKSA-N 380.316 3.527 50 40 GHGB COc1ccc(SCC(=O)N/N=C\c2ccccc2Br)cc1 34881583 AKNWQCGCSUURAK-ZDLGFXPLSA-N 379.279 3.700 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1[N+](=O)[O-] 3193981 XFYMWAHAUUHBHU-YBFXNURJSA-N 380.316 3.527 50 40 GHGB N#CC1=C2SC[C@@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1ccc(F)cc1 12274998 KNNYLKORHSIVRB-OXQOHEQNSA-N 384.407 3.608 50 40 GHGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 5883884 SVDIRDPOOSVCIS-SFHVURJKSA-N 388.427 3.789 50 40 GHGB CCCc1[nH]nc2c1[C@H](c1ccc(OC3CCCC3)c(OC)c1)C(C#N)=C(N)O2 8382717 ASAQDJYOLUHDMG-LJQANCHMSA-N 394.475 3.910 50 40 GHGB CC[C@@H](Br)C(=O)Nc1nc2ccc(O[C@@H](C)COC)cc2s1 20132455 RYDIZHZDGIREOX-GXSJLCMTSA-N 387.299 3.822 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3c(c2)nc(C)n3CC)cc1 6026942 QKYYOSJABUSIQR-HZHRSRAPSA-N 377.492 3.975 50 40 GHGB CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 20243957 KLBHYTRYFXLHKR-LFVJCYFKSA-N 379.504 3.580 50 40 GHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 4501963 DJOUVFBLGAAWCO-GIJQJNRQSA-N 396.628 3.704 50 40 GHGB C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc(F)ccc1F 1085458 FDIDTRREEDQZQF-YPZZKDGISA-N 383.192 3.645 50 40 GHGB COc1cc(C(=O)N/N=C2\C(O)=Nc3ccc(F)cc32)ccc1OCCC(C)C 8520181 MHIUWWZTYDJBFX-UHFFFAOYSA-N 399.422 3.995 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)cc1Br 9096364 AFPJHKUEMYEVQI-XRDDDWOOSA-N 378.314 3.792 50 40 GHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(OC)c1 4106561 GVFADRLTPPGQIL-HMMYKYKNSA-N 377.488 3.807 50 40 GHGB CCn1cc(/C=N/NC(=O)[C@@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)cn1 6412758 GSOTWKXBFQYQBR-ZSVBHWRJSA-N 392.507 3.840 50 40 GHGB O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/C=C/c1ccccc1 4905159 VHNDPVKCBITAOS-CXHGCJEXSA-N 377.322 3.972 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc(I)cc2)cc1C 409176372 LWNCETDICVCOOZ-YBFXNURJSA-N 392.240 3.601 50 40 GHGB CCC(CC)(C(=O)NNC(=O)c1ccccc1Br)c1ccccc1 72304344 NGKDYEYOECMVHH-UHFFFAOYSA-N 389.293 3.968 50 40 GHGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408800397 OXBLNZSQZIXMRI-GYZOOYGHSA-N 379.416 3.995 50 40 GHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)cc2)c(C#N)c1C 408545944 AGRXVIFCSPXZBL-OQLLNIDSSA-N 394.452 3.832 50 40 GHGB CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC 408968596 XSISFDWCRUFSMX-FOKLQQMPSA-N 389.814 3.912 50 40 GHGB C[C@@H]1CCC/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 33044124 LXJIYQJMKVEMOC-OOESYIKTSA-N 391.518 3.845 50 40 GHGB CCOc1ccc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 6047908 QJKSZCXNQSHXLR-XIEYBQDHSA-N 388.467 3.862 50 40 GHGB Cc1cc(Br)c2c(c1NC(=O)CCl)C(=O)c1ccccc1C2=O 5792889 VJXWRFOSBYMTCB-UHFFFAOYSA-N 392.636 3.710 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCC 3570629 UKYAHJQROBCWRM-QPEQYQDCSA-N 381.270 3.678 50 40 GHGB COc1cccc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)c1 20519480 SFPCAIZAOVYCRF-KRWDZBQOSA-N 381.457 3.503 50 40 GHGB O=C(O)c1ccc([N+](=O)[O-])c(SSc2cc(C(=O)O)ccc2[N+](=O)[O-])c1 3095584 IZLKBLZMJORGLN-UHFFFAOYSA-N 396.358 3.699 50 40 GHGB O=C(COc1cccc(Cl)c1)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 2252445 UOXNFGVMWNJAGH-CIAFOILYSA-N 398.806 3.568 50 40 GHGB Cc1cc(C)n(CCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)n1 2286144 CHFHGGBCGWEOTK-HZHRSRAPSA-N 376.460 3.619 50 40 GHGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1 409324270 SUFBKVLLURNRNH-SOLBZPMBSA-N 397.544 3.856 50 40 GHGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408864006 SFWDMJRWXUJJHH-OEAKJJBVSA-N 385.895 3.855 50 40 GHGB CCOc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(=O)Nc1ccccc1C 408541920 FVJXVJWFNZPJKN-YBEGLDIGSA-N 395.484 3.604 50 40 GHGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408742908 CQNIMACQSNKLIY-LGMDPLHJSA-N 376.412 3.652 50 40 GHGB CC(C)OC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)C(C#N)=C(N)O1 66089411 ULLKXCNXRLCCBZ-GOSISDBHSA-N 388.423 3.583 50 40 GHGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc2[nH]c3c(c2c1)CCCC3 17445111 LYDIAKDEJHPXAP-UHFFFAOYSA-N 379.485 3.672 50 40 GHGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccc(OC)c3)o2)c1 59433155 AJCPQWRXKLKVMV-OEAKJJBVSA-N 392.411 3.896 50 40 GHGB C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 2209356 APYUUGQYPYGBLE-PWLTZZKVSA-N 397.887 3.860 50 40 GHGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 2231420 PXGJWCZRGXKKBJ-HNNXBMFYSA-N 376.243 3.702 50 40 GHGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408904694 NEBMXCFJUYADRL-BKUYFWCQSA-N 378.388 3.705 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(N2CCCC2)c(F)c1 409100723 RTHZYTAESZPXOI-AFUMVMLFSA-N 392.434 3.503 50 40 GHGB C[C@]1(CBr)[C@@H]2CC[C@]1(CBr)C(=O)[C@H]2Br 217749758 FYVXSJHUBPYLLD-KKHAAJSZSA-N 388.925 3.525 50 40 GHGB NNC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226339975 WZDLKWCSEHGMNA-UHFFFAOYSA-N 390.064 3.938 50 40 GHGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1 7387764 GQEROXQDLQUQIV-UHFFFAOYSA-N 392.546 3.647 50 40 GHGB CC1=CC[C@@](C(=O)O)(C(=O)N/N=C/c2ccccc2)[C@H](c2ccc(F)cc2)C1 8782833 AMEKPZDRILJLHP-RXGUQILOSA-N 380.419 3.871 50 40 GHGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc(Cl)c1 1052656 MXEVFPWSYCVDBL-DJKKODMXSA-N 397.656 3.640 50 40 GHGB COc1ccc(-c2nc(C)c(C(=O)NN(C)c3ccccc3)s2)cc1OC 7243151 KBMBPBGGRFEMTJ-UHFFFAOYSA-N 383.473 3.917 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@H]2c2ccccc2)cc1 95532821 AZKBPNMWXBROEO-VJBYBGNYSA-N 388.423 3.727 50 40 GHGB O=c1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)coc2cc(O)ccc12 90567466 TWCFFWBESQCKPU-UHFFFAOYSA-N 393.848 3.536 50 40 GHGB CCOC(=O)/C(C#N)=C(/CC1=C/C(=C(/C#N)C(=O)OC)CC(C)(C)C1)SC 5472265 UJPNIBOPRKTFQZ-FZIQOSRTSA-N 388.489 3.820 50 40 GHGB Cc1cc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)c(C)o1 102455880 JGEFTDDSYPEIIL-HIXSDJFHSA-N 391.402 3.716 50 40 GHGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1 20238225 OFGXRONMUOLFNQ-KRWDZBQOSA-N 398.488 3.942 50 40 GHGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N32)c1 12275321 IOAUFNILLCATQA-GCJKJVERSA-N 392.480 3.647 50 40 GHGB O=C(N/N=C/c1ccc(O)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1 106465079 OUMMURMWLJXUCT-QGMBQPNBSA-N 375.793 3.932 50 40 GHGB CCN1C(=O)/C(=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 111067079 GJVRIWJDRNOKOT-YNNLNTILSA-N 389.499 3.975 50 40 GHGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c1C 58911603 XGXZXNAGGOXMPA-ZVHZXABRSA-N 394.519 3.610 50 40 GHGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 408862778 IZZLBNPHAWWKLA-VULFUBBASA-N 379.423 3.720 50 40 GHGB Cn1cc(CCCC(=O)NNC(=O)NCc2ccc(Cl)cc2)c2ccccc21 4054189 RHMMFXJGIDLWSC-UHFFFAOYSA-N 398.894 3.685 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cccc(C)c2)c2ccccc21 409255539 LVIOYWCIGJEMEM-YDZHTSKRSA-N 377.444 3.585 50 40 GHGB CCOc1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(O)c(O)c3)sc2c1 41120809 NEKQJOCJRMJTHA-KPKJPENVSA-N 381.413 3.652 50 40 GHGB CC(=O)N1N=C(c2ccc3c4c(cccc24)C(=O)OC3=O)C[C@H]1c1ccccc1 670418838 XIHJBKYIUXZGME-FQEVSTJZSA-N 384.391 3.848 50 40 GHGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccccc1O 5282456 KXBHOAVCPXIFFC-XDHOZWIPSA-N 393.306 3.928 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(OC)c3)o2)cc1 59435310 GVFJCEVXKPYUOC-OEAKJJBVSA-N 392.411 3.896 50 40 GHGB O=C(NCc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 59519718 MYZYWNNKCBQKQS-WGOQTCKBSA-N 381.435 3.760 50 40 GHGB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)CCCCl)cc1OC 4661514 DVRBZDAFVQNEMD-UHFFFAOYSA-N 385.917 3.656 50 40 GHGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1 7652737 KFOHXNLGJLHWDK-UHFFFAOYSA-N 395.286 3.851 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)o1 409372114 OSYZGMFLFRIFHP-CIAFOILYSA-N 379.372 3.839 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)cc1 408692166 GAPZRZOZOLSCQA-DHRITJCHSA-N 394.450 3.804 50 40 GHGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccccn3)c2C)cc1 409242792 PBJSWQPXPLPOCK-QRVIBDJDSA-N 394.500 3.740 50 40 GHGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 408599600 XFLYZKHVDVTHCA-OEAKJJBVSA-N 376.412 3.546 50 40 GHGB CCOc1c(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cccc1OC 408914740 XJCHNIMVYWWFIB-HZHRSRAPSA-N 384.476 3.884 50 40 GHGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Cl)cc1Cl 408605145 KSFOQMPMCNSBFE-CYBMUJFWSA-N 395.271 3.551 50 40 GHGB O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1 135741425 HIEOSACZNBYRPP-IUXPMGMMSA-N 382.601 3.775 50 40 GHGB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNC(=O)c1ccccc1 40143104 PVZDLJVNAVPIOT-UHFFFAOYSA-N 397.431 3.523 50 40 GHGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 96997087 DJNHFARWSKSGHG-ZSOIEALJSA-N 393.281 3.844 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)cc1 8812252 ATHCKQPOWIQUAW-ZMOGYAJESA-N 393.418 3.784 50 40 GHGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1cccc(F)c1 100930009 HEXRNAYKDSXHNW-BHGWPJFGSA-N 381.329 3.979 50 40 GHGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C 28216339 YZQSNXDIRDOKMK-ZVHZXABRSA-N 391.471 3.940 50 40 GHGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1 409381546 GHBCBXFORHQDKD-CVKSISIWSA-N 390.487 3.510 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2C)cc1C 409071398 RCNXBELDVMDMIP-ZHZULCJRSA-N 375.472 3.994 50 40 GHGB COc1ccccc1C(=O)NNC(=O)SCCCc1nc2ccccc2o1 40158812 IVWNSEDMWCWBOV-UHFFFAOYSA-N 385.445 3.557 50 40 GHGB C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1ccccc1F 100527423 UPAZGTVUQMKECZ-BHGWPJFGSA-N 381.329 3.979 50 40 GHGB COCCOc1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1 20133477 AZVDLYQVWZHYFR-ZDUSSCGKSA-N 387.299 3.680 50 40 GHGB O=C(CBr)[C@H](Br)[C@H](Br)c1ccccc1 1555439 ZCLSLWPGIJDTTO-ZJUUUORDSA-N 384.893 3.850 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)o1 6419303 CRKMMQZKIFNUQT-ZVHZXABRSA-N 385.427 3.720 50 40 GHGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 113833630 IXKYHLOWEKGKFX-SXGWCWSVSA-N 382.372 3.652 50 40 GHGB C[C@@H](Nc1ccc(I)cc1)C(=O)N/N=C1/CCCC[C@H]1C 13882080 RMICOYUSLWBAOI-PQXDSQRDSA-N 399.276 3.774 50 40 GHGB NNC(=O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 226302713 KWGASCUTQZQISB-UHFFFAOYSA-N 381.432 3.926 50 40 GHGB COc1ccc([C@H]2C(C#N)=C(SCC(N)=O)N=C3CC(C)(C)CC(O)=C32)cc1 104104712 YVMVKIYFXBPXQF-SFHVURJKSA-N 397.500 3.819 50 40 GHGB C=CCn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 1459730 YPSYQSMLWMVIDV-GZTJUZNOSA-N 385.423 3.779 50 40 GHGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100522569 NAUUAJVRFINBHK-PCLIKHOPSA-N 395.503 3.805 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(CS(=O)(=O)c2ccccc2)cc1 102788778 CLVZVAWPBLRGMI-UHFFFAOYSA-N 397.408 3.788 50 40 GHGB COc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2ccco2)cc1 711726 HDKJRCVJULMZKR-AXDLBROPSA-N 387.395 3.963 50 40 GHGB CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 101145020 BISMOTWGZHLDBW-UWONZBIMSA-N 396.830 3.573 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1 408738237 JLZCGBJUXTXMRU-WSDLNYQXSA-N 376.372 3.854 50 40 GHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1)c1ccc(F)cc1 4357555 AKWKPNIVYXRXAF-HYARGMPZSA-N 384.411 3.878 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCC#N 408820640 XQBASQLVSVRJLA-JYRVWZFOSA-N 385.782 3.936 50 40 GHGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 4923354 BBUVMLPJSPHKJX-INIZCTEOSA-N 392.440 3.814 50 40 GHGB O=C(N/N=C/c1ccc(I)o1)c1cccc2ccccc12 408996420 DPAFCUYQTMXBNG-VCHYOVAHSA-N 390.180 3.801 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)cc1 408744115 WVIRTBHEELWXAW-BUVRLJJBSA-N 389.455 3.574 50 40 GHGB Nc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 33927695 ZGDOMHJLTAZPFC-CFRMEGHHSA-N 393.830 3.905 50 40 GHGB C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(=O)O)c1)c1ccccc1 409251413 QDLGDWJYXDCPIV-UYPHOHSBSA-N 385.423 3.960 50 40 GHGB CCOC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 876451 IAOXKQHHYQNTCP-RVDMUPIBSA-N 391.402 3.889 50 40 GHGB CCOC(=O)/C(C#N)=C\C(C)=C/C(C)=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17139579 ICKAYMRQKSQOGB-KBDRVCLHSA-N 386.364 3.778 50 40 GHGB COc1ccc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1 20518350 AJHNSIOCFMVBSS-KRWDZBQOSA-N 381.457 3.503 50 40 GHGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1c(O)ccc2ccccc12 3193971 DMHCZRGRQFNPIG-YDZHTSKRSA-N 379.391 3.554 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 59473776 PEEOXQUTNDFVJA-KEBDBYFISA-N 387.461 3.604 50 40 GHGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OC 59201135 ATHIAOBXHWUQAL-XYOKQWHBSA-N 387.779 3.811 50 40 GHGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OC)[C@@H](C#N)C(O)=N1 16995221 AVHZEYDDGTUYIT-KDOFPFPSSA-N 399.472 3.700 50 40 GHGB COc1cccc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)c1O 408904628 MJLGBZRVEXLNDO-GIJQJNRQSA-N 378.226 3.627 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 14922007 IZPKITDZDHSJDX-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 59473077 HECLZPJFJFNAID-DQAKUKQTSA-N 378.881 3.988 50 40 GHGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1 409000566 YVTHYHINFQDGRI-UPKKXIRLSA-N 385.423 3.808 50 40 GHGB C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1Br 20760627 PHIICKYZKSHTGM-RGVLZGJSSA-N 391.652 3.878 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2OCC)OCO3)c1 409100382 UWMGRQLXJKFHAX-OVCLIPMQSA-N 380.400 3.758 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)CCc4ccccc4)ncnc32)c(C)c1 72238782 FBZVWTCCHVVBBP-UHFFFAOYSA-N 386.459 3.508 50 40 GHGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c1 408784077 SHGURADZVQHLQU-MFOYZWKCSA-N 399.878 3.966 50 40 GHGB CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 5095390 IWONBCMDBUFMQK-GFCCVEGCSA-N 391.244 3.827 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1O 2316815 FLITWTKPABYQQN-YDZHTSKRSA-N 375.428 3.980 50 40 GHGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(C)c2)cc1 6215617 WMGNVBDBFZOHQR-XQNSMLJCSA-N 383.448 3.943 50 40 GHGB COC(=O)c1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 30840601 GAKYSHYFXWSHIR-IWIPYMOSSA-N 388.423 3.669 50 40 GHGB CCOc1cc(C(=O)NNC(=S)Nc2ccc(C)cc2)ccc1OC(F)F 2795426 FZMNCPGVCPUAJJ-UHFFFAOYSA-N 395.431 3.627 50 40 GHGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 59459738 XEAZZRBKXPAZCK-LSFURLLWSA-N 383.757 3.756 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3)c2C)cc1C 58912620 SHQKBUXQPCTJEB-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccccc1F 59248590 CDVWQTRCRYFHDL-VXLYETTFSA-N 380.217 3.545 50 40 GHGB O=C1C=C(NNC(=O)c2ccc(Br)cc2)C[C@@H](c2ccccc2)C1 408751403 MSCMKPMZADEVRY-OAHLLOKOSA-N 385.261 3.714 50 40 GHGB Cc1ccc(C)c(OCC(=O)N/N=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 30713663 AQBRLEUUDUSFST-XKZIYDEJSA-N 392.415 3.531 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)c1 6022723 UJNJHQFZPVTXCW-YDZHTSKRSA-N 392.411 3.930 50 40 GHGB Cc1cc(C)c2c(=O)c(C=NNC(=O)c3cc(Cl)nc(Cl)c3)coc2c1 255004167 RJYFCICEPYMTOM-UHFFFAOYSA-N 390.226 3.876 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(C)cc1 16758816 VTTKIYVVWFWMKU-UQNFDQQLSA-N 392.480 3.984 50 40 GHGB Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)cc1 653680 RPFNFNVUEHJHDU-ZIAGYGMSSA-N 377.872 3.909 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@H]1COc2ccccc2O1 3162814 QEMSBZROFIPPTE-SGCYSOCQSA-N 388.423 3.556 50 40 GHGB O=C(NNC(=S)Nc1ccc(OC(F)F)cc1)c1cc2c(s1)CCCC2 8684973 MELUROJGJNXFEG-UHFFFAOYSA-N 397.472 3.860 50 40 GHGB COc1cc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(C)C 6431376 QWWBDLHILRRAMA-UHFFFAOYSA-N 397.258 3.864 50 40 GHGB N#C/C(=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(=O)NC1CC1 16439116 OSFXSRCWVHJDRG-RNVIBTMRSA-N 378.272 3.744 50 40 GHGB COc1cc(C(=O)N(NC(=O)c2cccc(OC)c2C)C(C)(C)C)ccc1C 80125278 YNMJKNTVZHTMQW-UHFFFAOYSA-N 384.476 3.906 50 40 GHGB N#C/C(=C\c1nccn1CC(F)(F)F)C(=O)Nc1ccccc1Br 96316215 WXCXNKVMUIUBGA-JXMROGBWSA-N 399.170 3.754 50 40 GHGB COc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(OC)c1O 30802752 BZECXOYVFGIUOA-XFFIQOLOSA-N 396.487 3.961 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 59333492 XKPBIDDQSKEIEN-BOPFTXTBSA-N 395.415 3.568 50 40 GHGB COc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)c(OC)c1OC 409148265 PGCFAHHBUHVCFS-FYJGNVAPSA-N 388.489 3.653 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)OCCO1 5727794 WEULJSZZHKKBPS-LPYMAVHISA-N 388.851 3.522 50 40 GHGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)o1 4834938 FVJKCZHRIXBECT-FMCGGJTJSA-N 380.375 3.785 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1C 408791488 YCZJXZUCFVDYFQ-OVCLIPMQSA-N 384.819 3.966 50 40 GHGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1 408706560 BMERBJPBRJBUIL-SSDVNMTOSA-N 393.274 3.713 50 40 GHGB O=C(O)[C@@](Br)(CBr)c1ccc(Br)cc1 98088492 MRSRROSCOUYRBO-SECBINFHSA-N 386.865 3.519 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1OC 8181956 HEBUBRTTWJCGOO-CIAFOILYSA-N 376.840 3.667 50 40 GHGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 21286192 YSIFYDMHWNXJLA-UHFFFAOYSA-N 397.309 3.532 50 40 GHGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408788409 JXPPKWQUQSBETI-WUXMJOGZSA-N 387.779 3.811 50 40 GHGB Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)[nH]n1 4663921 UTHIEYLIJQMFBL-ZVHZXABRSA-N 398.422 3.854 50 40 GHGB Cc1nc2scc(C)n2c1/C=N/NC(=O)CSc1cccc2cccnc12 7738599 LKAHLQDTMPZPEF-ZVBGSRNCSA-N 395.513 3.803 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCC#N 408815297 QXIOPWDUUQHZCV-ZHZULCJRSA-N 387.439 3.549 50 40 GHGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 28402691 WATBKCWGOLZTNO-JAIQZWGSSA-N 383.795 3.792 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(SC#N)c2)cc1 409044937 DNHPOBCZFUBHSR-QPEQYQDCSA-N 381.413 3.528 50 40 GHGB BrCc1ccc(I)cc1Br 95917620 HVJRZXWQWJZMMI-UHFFFAOYSA-N 375.829 3.949 50 40 GHGB COc1ccc(CSCC(=O)N/N=C/c2cccc(Br)c2)cc1 59473739 DDXYIXPFRZLLGR-VXLYETTFSA-N 393.306 3.841 50 40 GHGB O=C(NNC(=S)NCc1ccccc1)c1ccc(OCc2ccccc2)cc1 2371745 KMGPMAMZBSYDAD-UHFFFAOYSA-N 391.496 3.575 50 40 GHGB C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1O 4524095 OPYNGLQXMNCZCO-FOKLQQMPSA-N 378.350 3.912 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc(N3CCCCC3)cc2)c1 5516958 FCRDRVDSPXBLHA-XQNSMLJCSA-N 381.476 3.848 50 40 GHGB O=C(N/N=C/c1cccc(OC(=O)c2ccccc2F)c1)c1ccc(O)cc1 408958179 XNUGVUXCYJOEMF-YDZHTSKRSA-N 378.359 3.514 50 40 GHGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)c1 408937775 OTLFFTGOSAYBGR-AQTBWJFISA-N 376.412 3.974 50 40 GHGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cnc(Cl)c(Cl)c1 5578976 SOALAHIFXAPION-UHFFFAOYSA-N 382.291 3.756 50 40 GHGB O=[N+]([O-])[C@H]1C[C@H](Cl)CC[C@@H]1SS[C@@H]1CC[C@H](Cl)C[C@@H]1[N+](=O)[O-] 5188087 XPLHORMIMYFFDC-ROUNHJLISA-N 389.326 3.978 50 40 GHGB CCOc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc(Cl)c1O 2744240 YWJDZPNAHIOUSM-LSHDLFTRSA-N 390.867 3.899 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1O 54841913 YVGMVDUVLIRHSY-GHXNOFRVSA-N 379.254 3.519 50 40 GHGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccccc1 3268083 ZPCUBGYRLUQIKO-MYWKWTIGSA-N 387.483 3.866 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1 2347400 PLZCZMSROMBHGV-HZHRSRAPSA-N 376.412 3.816 50 40 GHGB COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC2CCCCCC2)cc1OC 17080610 WWTLYSSWOZEXBF-WJDWOHSUSA-N 394.475 3.840 50 40 GHGB COc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 408882926 RVKGXUZZHUZROB-MTJSOVHGSA-N 395.371 3.636 50 40 GHGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1 870573 YMNFWHHXFDDDQP-XNTDXEJSSA-N 376.368 3.770 50 40 GHGB COc1ccc(/C=N\NC(=O)COc2ccc(C)cc2C)cc1Br 30843133 FRQGDVLMKKVTCZ-JMIUGGIZSA-N 391.265 3.604 50 40 GHGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 408769083 NMIZEXUCZPPTKX-MKMNVTDBSA-N 395.371 3.656 50 40 GHGB N#C/C(=C/c1cnc(N2CCCC2)nc1)C(=O)Nc1ccc(Cl)cc1Cl 69663990 OTWQYDUEGXPDIR-QPEQYQDCSA-N 388.258 3.929 50 40 GHGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 4505311 UUENMZAYQAVPIM-DWWWWOEWSA-N 394.471 3.701 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 4953684 PYHWATBSNRTADH-KPKJPENVSA-N 387.779 3.811 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1O 408544762 XEDRSYNZEGGBQL-MLPAPPSSSA-N 386.791 3.688 50 40 GHGB Cc1c(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(C#N)n1C 8320984 ZZANCUCDWSSJAZ-MKMNVTDBSA-N 380.256 3.850 50 40 GHGB COc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1 408843762 ABCRDJWZGPQUQF-JCMHNJIXSA-N 377.448 3.708 50 40 GHGB Cc1cc(C)c2c(=O)c(/C=N/NC(=O)c3cc(Cl)nc(Cl)c3)coc2c1 2581860 RJYFCICEPYMTOM-QPSGOUHRSA-N 390.226 3.876 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C\N2CCN(c3cccc(Cl)c3)CC2)cc1 5451236 BIZZUGOAAWAFCH-NXVVXOECSA-N 396.878 3.517 50 40 GHGB O=C(NNc1ncccn1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 44717370 STQXBUGLCSRMAX-UHFFFAOYSA-N 375.363 3.695 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCCC[C@@H]2C)c(C)n1CC(C)C 5180763 XVFDNFKIGNQVDF-YODDIOPGSA-N 385.508 3.612 50 40 GHGB O=C(Nc1ccccc1)Nc1snnc1C(=O)N/N=C/C=C/c1ccccc1 4476152 AZQKXORNBMERJX-ADCWSOHQSA-N 392.444 3.611 50 40 GHGB COC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2[N+](=O)[O-])c(OC)c1 4526007 AVOPUALAKCTIQJ-DJKKODMXSA-N 393.783 3.526 50 40 GHGB Cc1cc(OCC(=O)NNC(=O)/C=C\c2ccccc2Cl)cc(C)c1Cl 16738381 RCSDTQHIIOALFY-FPLPWBNLSA-N 393.270 3.850 50 40 GHGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)o3)c2C)c1 408586015 AJPIBHGSPLCORP-YDZHTSKRSA-N 393.443 3.936 50 40 GHGB CCOc1ccc(Cl)cc1/C=N\NC(=O)CSc1ccc(OC)cc1 409104593 FYYGOZOAVIGGSI-JAIQZWGSSA-N 378.881 3.990 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1O 409051272 BIRNEFZFLQJLOE-UFWORHAWSA-N 397.656 3.889 50 40 GHGB COc1cccc(/C=N/NC(=O)CSc2cc(C)nc3ccc(C)cc23)c1O 871090 WTYJJUSGKDMGCV-SSDVNMTOSA-N 395.484 3.808 50 40 GHGB CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 8569186 MTCIWCYTVSTRRC-OAHLLOKOSA-N 394.456 3.764 50 40 GHGB Cc1cccc(C)c1OCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 6208845 GGENLRHZFPQGDB-UHFFFAOYSA-N 388.467 3.662 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1 7009276 LBCJPSHQISHLJX-ZVHZXABRSA-N 391.427 3.686 50 40 GHGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 1052010 HTJAZECKVHAFBO-HUSFYUSLSA-N 388.423 4.000 50 40 GHGB CCN(CC)C(=O)CSC(Nc1cccc(C(F)(F)F)c1)=C(C#N)C#N 2314518 QIXHGAJBADUNAL-UHFFFAOYSA-N 382.411 3.978 50 40 GHGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccccc2nc1Cl 3245465 XCXQSUBUWYQVHJ-QGZVFWFLSA-N 381.819 3.699 50 40 GHGB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NN=C1c2ccccc2-c2ccccc21 657642 NONOMBLBCWSJFX-CQSZACIVSA-N 387.395 3.911 50 40 GHGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(C(F)(F)F)cc1 946783 OQBMTKFVCSQNGK-ZVBGSRNCSA-N 378.379 3.824 50 40 GHGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1 5694718 IWQIGNZLWXEWLH-BRJLIKDPSA-N 392.381 3.616 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)c1 4942358 KGFKKYYYAGLJKQ-KRWDZBQOSA-N 395.459 3.845 50 40 GHGB O=C(N/N=C/c1cccc2ccccc12)C1CCN(C(=O)c2ccccc2)CC1 409007468 WOTCUVJBCARCTG-KOEQRZSOSA-N 385.467 3.842 50 40 GHGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)C(c1ccccc1)c1ccccc1 95938900 HQCSKHNRRHBYKD-HMAPJEAMSA-N 375.384 3.583 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2c1CCC2 2559219 KDSZIXDYEDZCNF-UFFVCSGVSA-N 387.823 3.574 50 40 GHGB COc1ccccc1NCC(=O)N/N=C/c1ccccc1OCc1ccccc1 1497703 SYVRQLPRHUWOJH-MFKUBSTISA-N 389.455 3.836 50 40 GHGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N32)cc1 12275303 MUADNTGFQBFBJP-AVRDEDQJSA-N 392.480 3.647 50 40 GHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1 658863 QTFBKFIWIYWJAA-LJQANCHMSA-N 378.382 3.986 50 40 GHGB O=c1nc2n(nc1-c1ccc(F)cc1)[C@@H](C(Cl)Cl)Nc1ccccc1-2 685943918 LXOZLHRSKCIBDI-INIZCTEOSA-N 377.206 3.839 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 6189187 JPEPTJINJXYJGQ-QJOMJCCJSA-N 376.460 3.711 50 40 GHGB CCOc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1 925164 QVQLYCSUPGRRAD-INIZCTEOSA-N 381.823 3.537 50 40 GHGB CC[C@@H](C)OC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@H](Cl)[C@@H]1Cl 4235757 MJYKXJUWZQBIAC-YRDLKWHLSA-N 377.655 3.537 50 40 GHGB O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1cccc(Br)c1 59515429 DXHHBWZVALVHBT-CIAFOILYSA-N 396.244 3.691 50 40 GHGB O=C(CCCC(=O)c1cccs1)NNC(=O)c1cc2c(s1)CCCC2 12894792 OHHCMDFJDAUSJM-UHFFFAOYSA-N 376.503 3.503 50 40 GHGB CCc1cccc(CC)c1NC(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1 6343532 AOYAWUDLPQCAFY-UYRXBGFRSA-N 392.455 3.909 50 40 GHGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 4735348 HVDADROECSCKIK-UDWIEESQSA-N 391.265 3.549 50 40 GHGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1ccnc2ccccc12 8382646 NKVDFMWOYCYVCF-GOSISDBHSA-N 383.386 3.982 50 40 GHGB Cc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)ccc1N1CCCC1 408858272 YARHYHFJKQPCIZ-AQYYIHLBSA-N 396.498 3.803 50 40 GHGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(OC)c1 408800571 PSYGXXWMQRDQIS-DEDYPNTBSA-N 394.471 3.642 50 40 GHGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)c1C 40023451 YHQFXHUTBIUMNJ-UHFFFAOYSA-N 395.484 3.946 50 40 GHGB O=C(CCCCC(=O)N/N=C\[C@@H]1C[C@@H]2CC[C@@H]1C2)N/N=C\[C@@H]1C[C@H]2CC[C@@H]1C2 225691368 BSLBPCGUEKNUFS-MGGOOJFVSA-N 386.540 3.623 50 40 GHGB O=C(COc1ccc(Br)cc1)N/N=C/c1c(O)ccc2ccccc12 12582507 KBTAARPSLMHDLJ-SRZZPIQSSA-N 399.244 3.837 50 40 GHGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(F)c(F)c(F)c(F)c1F 4548592 UDDHAEIGVNZGRQ-VIFPVBQESA-N 384.304 3.833 50 40 GHGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(O)c(Br)c1 4359530 VBACVYAOEZJANO-SSDVNMTOSA-N 398.260 3.870 50 40 GHGB CC1=C(Cl)/C(=N/S(=O)(=O)c2ccc(C)cc2)[C@@H](Cl)[C@@](C)(Cl)C1=O 4387351 KLQXEAQCFRZMLQ-WTSPJTHGSA-N 394.707 3.825 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 6971576 LKDFNINZMWCYRL-YDZHTSKRSA-N 390.399 3.520 50 40 GHGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(c2ccc(F)cc2)CC1 23098699 HHLVYVPZTFOCKH-UHFFFAOYSA-N 383.301 3.928 50 40 GHGB O=C(N/N=C\c1cccc(Oc2nc(Cl)ncc2F)c1)c1ccccc1O 409066830 WYFYQZXAUHLMKY-AFPJDJCSSA-N 386.770 3.531 50 40 GHGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2O)c1C 9264868 BFWYXFACONHKOR-FSJBWODESA-N 391.427 3.570 50 40 GHGB CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O 1080065 BOXGOOZURDYLMM-INIZCTEOSA-N 377.275 3.570 50 40 GHGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc3ccccc3c2)cc1 100522634 NIMZTIFFJWBDQA-PCLIKHOPSA-N 389.455 3.661 50 40 GHGB CCOc1cc(Cl)c(Cl)c(/C=N\NC(=O)COc2ccccc2)c1O 57476938 LSZIWJHQECAVOG-UKWGHVSLSA-N 383.231 3.627 50 40 GHGB CCOc1ccc(C(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 2308242 YNEAZMRWGGGVRK-UHFFFAOYSA-N 383.395 3.736 50 40 GHGB C/C(=N/NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)C(F)(F)F)cc1 4155759 ZLHLZQOMXDTDQS-GATIEOLUSA-N 388.349 3.823 50 40 GHGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=C2CCCCC2)cc1 5205717 JTIRTFWJWSTCPB-UHFFFAOYSA-N 399.516 3.703 50 40 GHGB CO[C@@H](C(=O)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl)c1ccccc1 408726913 CVQYUYNTFXBPQA-LASGFXPTSA-N 398.806 3.634 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)[C@H](O)c1ccccc1 409263882 CPMKQYVHUXLCNY-PGNNWUFWSA-N 399.790 3.692 50 40 GHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(=O)O)c2)o1 409383294 TZFJXGJDUZRTIO-BOPFTXTBSA-N 375.384 3.740 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1OCC 7041726 INOGCAIPUDVWHZ-HYARGMPZSA-N 380.448 3.594 50 40 GHGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3ccncc3)o2)c1 15018729 HCWLCDJRNHFNCP-JJFYIABZSA-N 383.791 3.546 50 40 GHGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 5360301 JRDVWMCBKIUKCA-BUVRLJJBSA-N 390.439 3.803 50 40 GHGB O=C(NN=Cc1coc2ccccc2c1=O)Nc1cc(Cl)nc(Cl)c1 575627253 AHLQVAGGVOXQJQ-UHFFFAOYSA-N 377.187 3.650 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 16758839 KJUBBHOTCIHAFI-FBKQIBBUSA-N 396.443 3.815 50 40 GHGB COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)c(F)c2F)c1C 46485604 XDOAKQVPGQACML-NTEUORMPSA-N 378.350 3.608 50 40 GHGB O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 6339617 MDCTXQVPJHVJLF-UHFFFAOYSA-N 380.831 3.994 50 40 GHGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSc2ncccn2)c1C 634505 XYVVDKAMLGOENM-WYMPLXKRSA-N 393.516 3.743 50 40 GHGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccncc3)cc2)n1 3411278 GFVMYSAHWCBGGK-WSDLNYQXSA-N 377.473 3.545 50 40 GHGB Cc1ccccc1-c1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)o1 5435159 ULGTVPUMMQRDDF-UHFFFAOYSA-N 389.440 3.979 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408790895 RVOTUKQHIUIUQE-LDADJPATSA-N 378.428 3.791 50 40 GHGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 409244425 CMFOUJPGSGZEQA-WJDWOHSUSA-N 397.862 3.731 50 40 GHGB CC1(CC(=O)N/N=C/c2cn(-c3ccc(Cl)cc3)c3ccccc23)OCCO1 408757032 VZLFDJVPCPENHG-YDZHTSKRSA-N 397.862 3.887 50 40 GHGB Cn1nc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 2150844 WEAWJGDCXXDAQT-UHFFFAOYSA-N 386.683 3.868 50 40 GHGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccccc1Cl 4697566 LVDMHJBVGGQYJX-UWVJOHFNSA-N 391.656 3.823 50 40 GHGB C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1ccccc1N 100927709 NAYRPTCFKRHQCB-LSHDLFTRSA-N 379.247 3.710 50 40 GHGB Cc1cc2c(c(=O)o1)[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 989112 NJMCXBYSCXLLOO-FQEVSTJZSA-N 386.407 3.745 50 40 GHGB N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(F)c1 4740764 MQQZFNHABHBPHH-SSDVNMTOSA-N 378.319 3.629 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1C#N 409138788 HYJSCXMNTGTNML-JOCHJYFZSA-N 397.434 3.952 50 40 GHGB O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 16996537 DBNUIUSUMBZTBP-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccccc2)c(OC)c1 1775812 BNYXBZBNAAURFL-GHRIWEEISA-N 395.411 3.540 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(Br)c1 988698 YFCWSBIPWQILAA-OAHLLOKOSA-N 395.212 3.774 50 40 GHGB biogenic,in-vitro COc1ccc(/C=N/NC(=O)C2[C@H]3CCC[C@H]2C3c2ccccc2)c(OC)c1 102483213 HZVLUOSLLYPAQQ-XKEPXSHYSA-N 378.472 3.984 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)o1 409378420 PFYVXKWPWDAJCK-OWBHPGMISA-N 388.379 3.984 50 40 GHGB CCc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 1434569 OYUQTYMXNCXJFH-AWQFTUOYSA-N 396.230 3.993 50 40 GHGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2N)o1 6950475 WKKHBCVTWFATOM-FOKLQQMPSA-N 397.818 3.733 50 40 GHGB COc1cc(/C=N/NC(=O)c2cc3cccc(C)c3nc2C)cc(OC)c1OC 685576 OQHOWKVIXNOREP-FSJBWODESA-N 393.443 3.641 50 40 GHGB Cc1cc(Br)cc(/C=N/NC(=O)COc2cccc(Cl)c2)c1O 3149972 QHAIVOWCVXKEIH-UFWORHAWSA-N 397.656 3.646 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3)c2C)c1 408591814 VIABQWKCFQPVCQ-ZVHZXABRSA-N 389.455 3.953 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1OCC=C 3090591 ZVKQROLRAQXPSE-HZHRSRAPSA-N 380.444 3.654 50 40 GHGB CCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(F)cc2)c(O)c2ccccc21 101342704 KITUWARBFXQLHG-ZVHZXABRSA-N 395.434 3.800 50 40 GHGB Cc1n[nH]c2c1[C@H](c1ccc(OCc3cccc(F)c3)cc1)C(C#N)=C(N)O2 646887 STZCPIRQONOSEW-LJQANCHMSA-N 376.391 3.654 50 40 GHGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 12250903 PPLIPZOYPDNPCJ-QGZVFWFLSA-N 392.440 3.814 50 40 GHGB CCOC(=O)N/N=C/c1cn(CCOc2ccccc2OC)c2ccccc12 2198437 WNEHEPISXBKCHO-HYARGMPZSA-N 381.432 3.809 50 40 GHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12 408915392 ZZHVJUVXWPPWNK-KCOUNZPASA-N 389.455 3.647 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2C)cc1Br 20244007 CMNFBNWHTVHGRU-DEDYPNTBSA-N 391.265 3.685 50 40 GHGB CC1=C(C#N)[C@@H](c2cccc(I)c2)C2=C(CCCC2=O)N1 19805602 KPNXXYIYXHACDV-MRXNPFEDSA-N 390.224 3.783 50 40 GHGB Cn1ncc(Cl)c1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 2750494 JNCJOKDFJKBLPC-LSHDLFTRSA-N 386.814 3.556 50 40 GHGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2[N+](=O)[O-])c(OC)c1 113833543 QYDDRXNWXZXBCV-YBEGLDIGSA-N 382.372 3.652 50 40 GHGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2)cc1OC 54278454 YAWYULPIZHBRFN-UDWIEESQSA-N 389.249 3.786 50 40 GHGB O=C(O)[C@](O)(CBr)CCCCCCOc1ccc(Cl)cc1 22053285 DWOYOYYLEZEUMR-OAHLLOKOSA-N 379.678 3.880 50 40 GHGB in-vitro Cc1ccc(NC(=O)NNC(=O)[C@@H](C)Nc2ccc(Cl)c(Cl)c2)cc1 4016217 YHJHZYUYAYAZFQ-LLVKDONJSA-N 381.263 3.955 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C)c2)c1C 408589588 MABQVFKRTDQTOL-ZVHZXABRSA-N 389.455 3.953 50 40 GHGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408829981 RHLSETLQMPODGT-UFWORHAWSA-N 391.836 3.506 50 40 GHGB CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409010922 DREOARHFGFLKAX-DNTJNYDQSA-N 381.215 3.741 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1c(O)ccc2ccccc12 17077917 NTGBGGVIOMFYOK-LJQANCHMSA-N 381.391 3.605 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)cc1[N+](=O)[O-] 5547477 UXCOCWNLXLWFIQ-UFFVCSGVSA-N 393.355 3.656 50 40 GHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 6323803 SGBGMKTVVCBKFD-MRXNPFEDSA-N 389.496 3.546 50 40 GHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1300134 DEFXDBMWAVGUJT-IBGZPJMESA-N 387.399 3.616 50 40 GHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409377066 FYNXFESITHQFOT-WJDWOHSUSA-N 376.372 3.950 50 40 GHGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3OC)o2)c1 409368353 ZFVNGVXAGQQSGX-LPYMAVHISA-N 378.384 3.506 50 40 GHGB Cc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1C 19949313 JUKNYXSZVOKGKY-UHFFFAOYSA-N 399.516 3.545 50 40 GHGB CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC 8339273 CMGLPIURVIGUOY-SRZZPIQSSA-N 392.839 3.528 50 40 GHGB C/C(=N\NC(=O)c1ccccc1)c1ccc(NC(=O)COc2ccccc2)cc1 5494678 CURJQOVCYUWGKE-KOEQRZSOSA-N 387.439 3.858 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCc1ccc(F)cc1 7893314 QVSRZKBLTNQVFK-ZMOGYAJESA-N 379.391 3.572 50 40 GHGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 876419 OULLIHWPMZPIRE-DHDCSXOGSA-N 391.383 3.694 50 40 GHGB CCCCN1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C1=O 6240824 SYQOYKPJHSAFKY-SSZFMOIBSA-N 389.883 3.780 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1O 5360988 OEFFSUKHMPYCNZ-OEAKJJBVSA-N 376.412 3.597 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408794241 RPHOGWAPLBTCCJ-RVDMUPIBSA-N 384.819 3.828 50 40 GHGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(C#N)cc2)cc1 408736882 BMEMTKJUNRCILX-MFKUBSTISA-N 399.406 3.550 50 40 GHGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1N1CCCC1 408843759 AUUHNSIBBOQNOD-MYYYXRDXSA-N 388.471 3.673 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 5130255 QAFGXDUWXWJIDP-KRWDZBQOSA-N 394.381 3.972 50 40 GHGB Cc1cccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(N)=O)c1 12374285 DXIPXONRVIERMR-AWZALFRUSA-N 397.887 3.560 50 40 GHGB CCc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 706658 CATGCNMFPNFIGA-SFHVURJKSA-N 391.496 3.960 50 40 GHGB COC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2cccc(C)c2)c1C 871419 JLONFYRXPKMRDN-UHFFFAOYSA-N 380.853 3.581 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3csnn3)c2C)cc1 48312267 FFRBKBICINQYGM-DHDCSXOGSA-N 392.440 3.522 50 40 GHGB CC1=C(Cl)/C(=N/S(=O)(=O)c2ccccc2)[C@H](Cl)[C@](C)(Cl)C1=O 4167620 WXAAULWIYQPXCK-XSSVRIRQSA-N 380.680 3.517 50 40 GHGB N#C/C(=C\c1cc(Cl)c(OCC(N)=O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409256776 PYQUCLKONTZMSC-LFYBBSHMSA-N 392.198 3.830 50 40 GHGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccccn1 9425268 MWTOUJRGEXLVLD-VULFUBBASA-N 399.454 3.566 50 40 GHGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccccn1 33350802 MWTOUJRGEXLVLD-WGARJPEWSA-N 399.454 3.566 50 40 GHGB Cc1ccc(N[C@H](C)C(=O)N/N=C/c2cc(Br)ccc2O)c(C)c1 654945 KDIYJMJTXSHQRI-RNDVCUHJSA-N 390.281 3.722 50 40 GHGB CC1=NN(c2ccc(C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)cc2)CC1 46903886 STUVTBHEYWKPMA-CYBMUJFWSA-N 396.516 3.534 50 40 GHGB COc1ccc(OCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)c([N+](=O)[O-])c1 12697149 OQDRUTKZCYMORQ-CPNJWEJPSA-N 397.412 3.529 50 40 GHGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCc1ccccc1 4656949 LPPDOFZJAKJCNO-UHFFFAOYSA-N 395.286 3.933 50 40 GHGB CCc1ccc(CC(=O)N/N=C\c2ccccc2I)cc1 409363798 NRKVBHWFWMVKJJ-UNOMPAQXSA-N 392.240 3.546 50 40 GHGB COc1cccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1OC(C)C 408904243 GZHVWLMXBYFLAT-NHDPSOOVSA-N 397.387 3.901 50 40 GHGB Cc1cc(NC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)ccc1Br 408904726 NQEPPCPQMBEVGS-IUXPMGMMSA-N 393.197 3.527 50 40 GHGB CC(C)(C)OC(=O)N/N=C/c1cc(Br)cc(Br)c1O 3574688 MIBXZIPBNLAESG-GIDUJCDVSA-N 394.063 3.776 50 40 GHGB O=C(C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F)c1cccs1 5771518 YEWCQOFUVWQADA-CPNJWEJPSA-N 385.323 3.577 50 40 GHGB O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1cccc2ccccc12 829252 KWUITRCMWYPRFN-UHFFFAOYSA-N 384.435 3.762 50 40 GHGB aggregator COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(OC)c1 59383026 JAJFWKFPAQWDMI-KEBDBYFISA-N 378.881 3.741 50 40 GHGB COc1cc(C)ccc1C(=O)N/N=C/c1cccn1-c1ccc(N(C)C)cc1 4560529 QYHCAOSOGJUHTP-HZHRSRAPSA-N 376.460 3.624 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccccc1F 9014184 JBYOYKBFPOKPHY-OAHLLOKOSA-N 381.432 3.536 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(OC)c2)c1 408744636 GHJBCNOGXYQRQT-WJDWOHSUSA-N 377.400 3.542 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 5542954 HGEQTTTZGPFTCZ-CIAFOILYSA-N 379.372 3.936 50 40 GHGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2C)cc1 5379214 IBFQBSWYRKDWQI-OEAKJJBVSA-N 387.867 3.720 50 40 GHGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](Cc1ccccc1)C(C#N)=C(N)O2 1471601 STNZHEJLPBTRDO-IBGZPJMESA-N 383.451 3.618 50 40 GHGB C[C@@H](CCl)N(CCCl)Cc1cccc(Nc2ncnc3nc[nH]c23)c1 1668099 MSTQNBKFVOOMDH-LBPRGKRZSA-N 379.295 3.765 50 40 GHGB CCc1cc2ccccc2nc1SCC(=O)NNC(=O)c1ccc(C)cc1 4849231 UGBRFECHWITZNO-UHFFFAOYSA-N 379.485 3.659 50 40 GHGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 100962475 NFLAMIBAVHAXIT-GZTJUZNOSA-N 396.830 3.575 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408778759 YOILNADQXDJGAS-LPYMAVHISA-N 392.415 3.775 50 40 GHGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1cccc(OC(F)(F)F)c1 408712837 VTADBAOHFQSWCN-UHFFFAOYSA-N 394.740 3.671 50 40 GHGB CCC/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccccc1 4871581 VXKGHIFZTAMUSC-RELWKKBWSA-N 393.516 3.895 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc([N+](=O)[O-])c1O 408857971 QUCHYGNHTRSAEP-OVCLIPMQSA-N 381.388 3.862 50 40 GHGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 409143841 IYKWOOZCPBWNHZ-RIYZIHGNSA-N 384.417 3.623 50 40 GHGB CCn1c(SCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 4033899 IIVBKEYYNFXRLP-BKUYFWCQSA-N 397.460 3.597 50 40 GHGB COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)[C@@H](Br)[C@H]21 5063078 VXNUYSOLTINORZ-YCEFEEMOSA-N 395.293 3.892 50 40 GHGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)NC1CCCC1 15230961 RYYVCIHHSCNSFX-YVMONPNESA-N 388.059 3.770 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OC 5512404 QDQZOLDUHDRPCZ-DJKKODMXSA-N 397.656 3.884 50 40 GHGB C[C@@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)[C@@H]2Br 4228216 FYVXSJHUBPYLLD-WDQPUEAGSA-N 388.925 3.525 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccs1 59197646 BCPGJEZENLCDPI-UDWIEESQSA-N 381.413 3.999 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 868238 IQFLDRLSHDUTNZ-FYJGNVAPSA-N 382.489 3.916 50 40 GHGB CCSc1nc(NNC(=O)C2CC2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2242538 OHIQXYZZEBIDSQ-GOSISDBHSA-N 392.550 3.898 50 40 GHGB Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1 17040992 BZLKEMWZMYTISS-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2 4452923 OOPPRCZLTJZNDJ-GFCCVEGCSA-N 378.354 3.824 50 40 GHGB CCc1ccc(OCc2cccc(C(=O)N/N=C\c3cnn(C)c3C)c2)cc1 4647174 IGDHUSMFCQUQRW-QRVIBDJDSA-N 376.460 3.634 50 40 GHGB CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 29748442 VFPIHZHBUHSUJD-GZTJUZNOSA-N 390.395 3.647 50 40 GHGB C=CCn1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc21 409182374 KUCJGEPAGKLBMB-CIAFOILYSA-N 378.388 3.508 50 40 GHGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC 408864031 WNDZFHHWQVWFQP-AWQFTUOYSA-N 397.214 3.911 50 40 GHGB Cc1ccc(CC(=O)N/N=C\c2ccc(I)cc2)c(C)c1 216045654 IHQRQUBBHKKFBU-ODLFYWEKSA-N 392.240 3.601 50 40 GHGB O=C(N/N=C/c1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 788118 FAFGUDDFEREFQI-ZRWQFTNJSA-N 391.858 3.996 50 40 GHGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)cc1 9110617 BTLHRVNHIDZBKO-GOSISDBHSA-N 392.480 3.810 50 40 GHGB O=C(N/N=C/c1ccccc1O)c1ccc(CN2CCc3ccccc3C2)cc1 19818081 URHVRXCQVLOYSJ-MFKUBSTISA-N 385.467 3.714 50 40 GHGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1 6477667 IMVUJXDMRCEXJW-QGZVFWFLSA-N 385.533 3.712 50 40 GHGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@H](O)c1ccccc1 1253750 NZLWWVCMKGELJM-XTVKVDEJSA-N 383.451 3.873 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 3242298 PWLSMHROISPIEY-OEAKJJBVSA-N 375.428 3.645 50 40 GHGB O=C(COCC(=O)NC1CCCCCCCCCCC1)NNc1ccccc1 4681041 CJZOPWFZEDIICV-UHFFFAOYSA-N 389.540 3.936 50 40 GHGB N#C/C(=C/c1cccn1-c1ccccc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408856226 JIWWZXPCCRDWND-JHDDQDGUSA-N 378.439 3.685 50 40 GHGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408747280 LOIQWBUDNARPJV-BOPFTXTBSA-N 395.256 3.684 50 40 GHGB CCn1c(C)c(/C=N\NC(=O)[C@H](C)Nc2ccccc2OC)c2ccccc21 32579449 CFSSGTNGGBJOQX-DZIKBWIISA-N 378.476 3.929 50 40 GHGB CCc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1 8578703 CZMDPSYGJSHWDV-HXUWFJFHSA-N 394.434 3.857 50 40 GHGB C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12 687102 GVGXYGCDBNOPJZ-KIHMUJGBSA-N 385.265 3.881 50 40 GHGB Cc1cccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1 1433543 FFBWVZRUBAZMEN-MFKUBSTISA-N 387.439 3.776 50 40 GHGB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NNC(=O)c2ccc(F)cc2)c1 3331559 MQJPRQNXHXSPLV-UHFFFAOYSA-N 390.414 3.748 50 40 GHGB CCCN1C(=O)/C(=N\NC(=O)CNc2cccc3ccccc23)c2ccccc21 18323181 MOZJFTUKYIQJLM-ROMGYVFFSA-N 386.455 3.529 50 40 GHGB Cc1c(C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)oc2ccccc12 8984324 LXGLCCXULDNILN-GFCCVEGCSA-N 394.456 3.613 50 40 GHGB O=C(COc1cccc(/C=N\NC(=O)c2ccccc2)c1)Nc1ccc(F)cc1 108072266 LAIYECBGCREWAW-OYKKKHCWSA-N 391.402 3.607 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc([N+](=O)[O-])c1O 59145582 VZZDPJSTJGRYLB-OVCLIPMQSA-N 381.388 3.862 50 40 GHGB COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)cc1 841815 XCDVUPSEVOKWTI-AWEZNQCLSA-N 384.482 3.711 50 40 GHGB COc1cccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)c1O 1242196 IURTZUJXAZIMQN-BUVRLJJBSA-N 391.471 3.775 50 40 GHGB Cc1ccc(-c2ccsc2C(=O)NNC(=O)Cc2noc3ccccc23)cc1 10599390 PTAPNORNEWYJGW-UHFFFAOYSA-N 391.452 3.868 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)cc1C 408875471 FVUHILBOCYXYRP-BUVRLJJBSA-N 394.519 3.564 50 40 GHGB O=C(COc1cccc(/C=N\NC(=O)c2ccccc2)c1)Nc1ccccc1F 409370221 NDDLXZFIZGWHNC-OYKKKHCWSA-N 391.402 3.607 50 40 GHGB CCOC(=O)/C(C#N)=C/c1ccc(OCCOc2cccc(C)c2)c(OC)c1 9553505 UGRQTQRGYLYOBO-QGOAFFKASA-N 381.428 3.932 50 40 GHGB O=C(N/N=C/c1cccc2ccccc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 788114 FAFGUDDFEREFQI-PDERCVKFSA-N 391.858 3.996 50 40 GHGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1 4452903 KPSQNEAHAHLMMD-RTWAWAEBSA-N 385.515 3.729 50 40 GHGB Cc1oc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 59401572 AXZJBYOSSUQFRE-OMCISZLKSA-N 386.589 3.676 50 40 GHGB O=C(CCCC(=O)Nc1ccccc1Br)N/N=C/c1cccs1 3178559 FOWJAYOYJWZLIC-WOJGMQOQSA-N 394.294 3.770 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 408726939 WGGQSTQLUNIHGQ-LPYMAVHISA-N 393.399 3.865 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 408598438 AKPVJLBIHMWNHD-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB O=C(CCl)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408921591 JFFZOVKLLGTELH-UHFFFAOYSA-N 393.679 3.972 50 40 GHGB O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccc([N+](=O)[O-])cc1 5750304 DJAOACUHGJZMFD-DJKKODMXSA-N 387.193 3.603 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccco1 30817637 ZIPAJJBHJPIEAM-UUYOSTAYSA-N 398.802 3.925 50 40 GHGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 7782407 UXFABDJRMXTTHC-FOKLQQMPSA-N 392.286 3.883 50 40 GHGB C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 16790743 YZHZBDBWPTXENR-ATVHPVEESA-N 399.410 3.657 50 40 GHGB C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 25424572 UIUIBJVCOYBWNS-XEWSMWEFSA-N 396.520 3.509 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1 408792325 ALMFDMVJYBBITI-FMIVXFBMSA-N 389.205 3.764 50 40 GHGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(C)cc1 4511874 UNNLOVZMMOLTLB-SFQUDFHCSA-N 396.399 3.831 50 40 GHGB CCN(CC)[C@@H](C(=O)NNC(=O)c1ccoc1C)c1cc(Cl)cc(Cl)c1 89967858 IDMKPGDQFFTGHF-MRXNPFEDSA-N 398.290 3.739 50 40 GHGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(OC)c1OC 409141669 ILZWARAVNDKXAD-STCDJXRXSA-N 388.489 3.652 50 40 GHGB O=C(CCc1cc2ccccc2o1)NNC(=O)CCc1cc2ccccc2o1 40158853 MPXDRHVAZLLMEG-UHFFFAOYSA-N 376.412 3.892 50 40 GHGB O=C(N/N=C/c1ccc(I)cc1)c1ccc(Cl)cc1 5569285 GQJPKLODZBSHAW-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB Cc1cccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c1 993772 PVIVMTHECQBNJR-FRKPEAEDSA-N 386.043 3.877 50 40 GHGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cc(Cl)ccc3O)c2)n1 6189248 ZVLLPEDLYZBQOR-SSDVNMTOSA-N 382.851 3.671 50 40 GHGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 20347954 BFSALGAKTACSNS-LJQANCHMSA-N 382.485 3.720 50 40 GHGB N#CC1=C(N(C(=O)CCl)C(=O)CCl)c2ccccc2CC12CCCC2 799873 YTGRVZCIZDDRTF-UHFFFAOYSA-N 377.271 3.871 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)cc1 657556 YXFZDYSTYWBTLC-BUVRLJJBSA-N 388.423 3.987 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 1475186 JHLFAKRQTJUHGG-FYJGNVAPSA-N 381.505 3.652 50 40 GHGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC[C@H]1CCCO1 4211317 ZLANXCUOWHLSHV-MUPHDSPYSA-N 380.419 3.607 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 20764003 IYVPWMHKJDXGDM-OEAKJJBVSA-N 392.411 3.896 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])c(OC)cc2OC)c1 408741730 NNICNWUMOTVKDW-RIYZIHGNSA-N 397.387 3.556 50 40 GHGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)cc1 12362681 AHNSMWMIAZXUSN-XHDDOUQKSA-N 381.432 3.852 50 40 GHGB Cc1cc(C)cc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)c1 19948847 DYSIOLFSRNHKOW-UHFFFAOYSA-N 399.516 3.545 50 40 GHGB Cc1cc2c(c(=O)o1)[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 989113 NJMCXBYSCXLLOO-HXUWFJFHSA-N 386.407 3.745 50 40 GHGB Cc1c(C(=O)NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)oc2ccccc12 7380414 LIGBJQJREHBGPZ-UHFFFAOYSA-N 399.255 3.671 50 40 GHGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1F 15900610 BTPWTEVNBMVERP-UHFFFAOYSA-N 395.272 3.566 50 40 GHGB CC(C)c1nn2c(/C=N/NC(=O)c3ccncc3)c(-c3ccccc3)nc2s1 41078033 IULKLQXZHNJCBL-WSDLNYQXSA-N 390.472 3.740 50 40 GHGB O=C(NN[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 408734079 IBMSOJDCPNDSKV-LJQANCHMSA-N 379.847 3.954 50 40 GHGB O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O 4083782 JKJBVGVJILPFRN-RGVLZGJSSA-N 384.779 3.508 50 40 GHGB CCn1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)c1C 409076065 XICBEODBCPXBPN-KEBDBYFISA-N 384.392 3.552 50 40 GHGB C/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)c1ccc2c(c1)CC(=O)N2 98054890 LMMSYENNOXSMFU-WYMPLXKRSA-N 390.468 3.767 50 40 GHGB COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(SC#N)c1O 409048951 VDJIJVJRGPKENI-UHFFFAOYSA-N 396.468 3.675 50 40 GHGB O=C(O)c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 713534 NCRRPAXXHZHLQJ-DJKKODMXSA-N 387.189 3.657 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 1091311 MPYWSUVREDJNPF-WUXMJOGZSA-N 387.779 3.811 50 40 GHGB CCO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C\c1ccccc1Br 5316581 DBJYWEVDTLBXME-JSAODNLDSA-N 387.277 3.851 50 40 GHGB COc1ccc(OCc2ccc(/C=C(\C#N)C(=O)Nc3nccs3)o2)cc1 17077928 VLCANEXGICTCBJ-JLHYYAGUSA-N 381.413 3.869 50 40 GHGB COc1ccccc1OCCCOc1ccc(Cl)cc1/C=N/NC(C)=O 27832752 VUGDFQAJSQRPRO-FYJGNVAPSA-N 376.840 3.667 50 40 GHGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccs4)CC(=O)N3C2)cc1 2342425 XFMAVVIPHIDUBH-HNNXBMFYSA-N 383.498 3.976 50 40 GHGB aggregator CN1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3Cl)[C@H]2CC1 13942384 RHHRZOYFRPZABQ-ZBEGNZNMSA-N 384.270 3.696 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)o2)c1C 408586481 CEWCTPMYNMOZIV-WSDLNYQXSA-N 379.416 3.546 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2Cl)cc1 20197666 WUPRZRAYBQAWEG-CIAFOILYSA-N 376.840 3.910 50 40 GHGB CCc1ccc(CC(=O)N/N=C\c2ccc(I)cc2)cc1 409365638 VFOYXTMCJHRTFT-UNOMPAQXSA-N 392.240 3.546 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)c(OC)c1OC 409128600 SHSMFMFORZYLTI-STCDJXRXSA-N 388.489 3.652 50 40 GHGB CC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])o2)cc1 33740655 AKCJLJSNABGBQN-XKZIYDEJSA-N 391.383 3.750 50 40 GHGB O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1cccc(Cl)c1 7393239 JQQKEGQHMUFWTQ-UHFFFAOYSA-N 399.241 3.879 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 910216 YZJPZOIPWCYRFZ-UFFVCSGVSA-N 376.840 3.503 50 40 GHGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cccnc3SC(F)F)cc2C1 12997244 AZDGAKYQDCYSNH-SECBINFHSA-N 397.472 3.657 50 40 GHGB CS(=O)(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1 15434517 FXMOLWRNECUOPG-UHFFFAOYSA-N 393.679 3.807 50 40 GHGB CO[C@H](C(=O)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl)c1ccccc1 408728583 PDFMPYIZFIXNCT-RYFGYPJOSA-N 398.806 3.634 50 40 GHGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 30725448 VKXZTKALNWISOH-IUXPMGMMSA-N 382.601 3.775 50 40 GHGB COc1ccc(C(=O)NN[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 3322249 VEWMJKOZEVQLKI-OAQYLSRUSA-N 389.455 3.618 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OC 7930386 ZUSBZGRYHXZNBC-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)c(OCC)c2)cc1 10476005 CBBXAGPJTRPEMM-HZHRSRAPSA-N 384.476 3.964 50 40 GHGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OC 979532 FDAWEUKAPXORTH-AWQFTUOYSA-N 383.231 3.540 50 40 GHGB N#C/C(=C\c1ccc(O)c(I)c1)C(=O)Nc1ccccc1 1410813 YUIXWRUBAFYPNU-XYOKQWHBSA-N 390.180 3.542 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c2ccccc21 4108628 WNFAFUPUXHDCRT-WIBFRDPVSA-N 395.503 3.789 50 40 GHGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 33336539 SNLVDJHSEBMNKQ-IUXPMGMMSA-N 382.601 3.775 50 40 GHGB CCCOc1c(/C=N/NC(=O)COc2ccccc2Cl)cccc1OC 408915991 STILIFCEIQTGDM-CIAFOILYSA-N 376.840 3.667 50 40 GHGB Br[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@@H]1[C@H]([C@H]42)C5(Br)Br 252694696 OJQKYGJVEGFZFY-AONSICHJSA-N 382.921 3.624 50 40 GHGB Cc1cc(/C=N\NC(=O)c2cccc(F)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 30809195 LTROVXXPMFKVHE-UUYOSTAYSA-N 380.379 3.905 50 40 GHGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3)c2C)c1 58912641 FOPOZFDBZDIHTM-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1cccc(C(F)(F)F)c1 107883568 MBWZZXJNYHOYKM-OPEKNORGSA-N 397.356 3.969 50 40 GHGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)Nc2ccccc2Cl)cc1 409184439 LCTNLWRYSDAKEU-NHDPSOOVSA-N 389.839 3.826 50 40 GHGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl 408794057 HGTHSKMWAKXEAH-OQLLNIDSSA-N 384.819 3.746 50 40 GHGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2cccc(C#N)c2)cc1OC 33777350 JUVKRGGGJXLPQJ-APSNUPSMSA-N 382.803 3.836 50 40 GHGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 5721360 LYRRFVKOYYAIRE-UFFVCSGVSA-N 381.379 3.516 50 40 GHGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)c(C)c2nc1Cl 786962 WWLDKTOKOJYCTA-MRXNPFEDSA-N 383.835 3.760 50 40 GHGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2163772 BXUNQBFACBEINZ-LJQANCHMSA-N 380.444 3.711 50 40 GHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408718908 BICQDYCQXIYADY-WSDLNYQXSA-N 382.803 3.991 50 40 GHGB CCc1ccc(OCCCOc2ccc(/C=N/NC(=O)OC)cc2OC)cc1 4679087 AVOCESRJLUECQY-PXLXIMEGSA-N 386.448 3.795 50 40 GHGB COc1ccc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])c(OC)cc3OC)[nH]c2c1 4739912 LKVWUZBQEUDAPN-WUXMJOGZSA-N 380.360 3.561 50 40 GHGB CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)N/N=C/c3ccc(OC)c(OC)c3)c2C1 5790092 SFIFNFWLTDSYOE-LUILSVGHSA-N 398.507 3.732 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1O 9190231 TXGDFROVQIVPCK-KEBDBYFISA-N 385.763 3.978 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(O)c1 408535082 XMPNFUUBGPGKRL-YSURURNPSA-N 395.381 3.760 50 40 GHGB CC(C)(C)c1ccc(-c2nc3cc(C(=O)NN)cc(Br)c3[nH]2)cc1 226344758 DDMDSOSGWLMNAQ-UHFFFAOYSA-N 387.281 3.893 50 40 GHGB CCCCOC(=O)Nc1ccc(S[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 255189261 OSGAMGZLNOXEFE-KGLIPLIRSA-N 377.915 3.532 50 40 GHGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C\c1ccc(Br)o1 11990259 RSYAWOFWHQVIKL-JYUGDQOLSA-N 385.645 3.922 50 40 GHGB O=C(N/N=C/c1cc([N+](=O)[O-])cs1)C(Oc1ccccc1)Oc1ccccc1 3088056 CPDCFUNOZOBWGM-UDWIEESQSA-N 397.412 3.591 50 40 GHGB CCOc1cc2c(cc1/C=C1/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c31)OCO2 101675864 KOPLNRUZENNVSC-RZNTYIFUSA-N 386.411 3.823 50 40 GHGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc2ccccc2cc1OC 6646165 BAJJDJBMIXYHGP-YDZHTSKRSA-N 394.427 3.638 50 40 GHGB COc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1 1836464 FTKVMKFRVSKWPW-JEBQAFNWSA-N 380.282 3.793 50 40 GHGB CCOC(=O)/C(C#N)=C1/S[C@H](CC)C(=O)N1c1ccc(Br)cc1 2398691 DISZPSYZPGPQKQ-MLJWKTOOSA-N 395.278 3.606 50 40 GHGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 408747013 XWEUMUKJYSJJCI-RMHQSFGDSA-N 378.819 3.767 50 40 GHGB N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1cccs1 9014531 PVMHZRCNRPFEHK-CQSZACIVSA-N 384.482 3.563 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)cc1Cl 409062934 DBKSZJNYRLLLDU-FSJBWODESA-N 382.851 3.915 50 40 GHGB COc1cc(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1O 408815001 SSRRAZYAHKFHCT-PKNJFHROSA-N 393.281 3.765 50 40 GHGB O=C(N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 409208964 BDVUPSRCGSYYIO-IDUWFGFVSA-N 383.147 3.574 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(C(=O)O)c2)cc1 409169131 OYFUAMZSRONORB-RVDMUPIBSA-N 380.400 3.728 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1cccc(C(=O)O)c1 83309577 UHKYYXFWFJWCBU-VCHYOVAHSA-N 389.411 3.609 50 40 GHGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc2c1CCC2 942007 MINALNVCFAUODF-SDNWHVSQSA-N 396.468 3.968 50 40 GHGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(OC)c1OC 1444652 XORNCORDBOCNFK-OEAKJJBVSA-N 378.428 3.558 50 40 GHGB Cc1cc(C)n2nc(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)nc2n1 4751059 WIFJGKXUXVCUBS-CFRMEGHHSA-N 394.438 3.811 50 40 GHGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 6630324 LZZMGAJGCJBGGP-SSDVNMTOSA-N 383.835 3.622 50 40 GHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 1309480 YOSPGCQDQPXWIK-QGMBQPNBSA-N 390.808 3.632 50 40 GHGB CCCCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 107715998 AIPRAEXKQCQILS-STZFKDTASA-N 385.420 3.936 50 40 GHGB O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/c1cccc2ccccc12 2100133 ZFKPYHZRXATZFB-HYARGMPZSA-N 390.399 3.617 50 40 GHGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408846178 PDWAVWMOCBHNNP-JPCAVARWSA-N 396.498 3.885 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)c(O)c1 4087729 XGGAFHNMWHJZGZ-OEAKJJBVSA-N 383.492 3.891 50 40 GHGB Cc1cccc(C)c1OCCCOc1ccc(Cl)cc1/C=N/NC(N)=O 4551504 JRFUEVVOEIQJSM-WSDLNYQXSA-N 375.856 3.807 50 40 GHGB O=C(NNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 5499563 ANJOLIKXAYRGKF-UHFFFAOYSA-N 385.763 3.583 50 40 GHGB CCOc1cccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1OCC(=O)O 409210535 JJEBNYAFVDASKE-BOPFTXTBSA-N 394.427 3.711 50 40 GHGB CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2322594 GXZXUSRMYTVSMH-ONZPZFSWSA-N 396.443 3.815 50 40 GHGB C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)c1ccc(C(C)(C)C)cc1 16137040 JMARDSQZYQWYBR-MFKUBSTISA-N 376.460 3.990 50 40 GHGB O=C(Cl)c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 4137138 GMRIAXSPNMDJSG-UHFFFAOYSA-N 377.893 3.709 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Cl 2797247 ULHNROWMPFXRLR-KPKJPENVSA-N 387.779 3.811 50 40 GHGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 2201265 NGWAASFYEFHMDV-SFHVURJKSA-N 393.830 3.670 50 40 GHGB O=C(NNC(=O)c1ccccc1Br)c1cc2ccccc2s1 15544565 OFMZKAFXCHPIAI-UHFFFAOYSA-N 375.247 3.739 50 40 GHGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)c1nc2ccccc2[nH]1 409045339 GHKGVKHCWHVPFA-KPKJPENVSA-N 398.216 3.853 50 40 GHGB C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409170451 VVUIQGRQODTAIE-CYGNYLSHSA-N 378.384 3.562 50 40 GHGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(OC)c1 5720965 LHGHJWLZPMULMH-UDWIEESQSA-N 389.249 3.786 50 40 GHGB CCOc1cc(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)cc([N+](=O)[O-])c1O 13546846 XDESSWPOCYOIER-WUXMJOGZSA-N 380.360 3.648 50 40 GHGB COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 1791103 GPIVKJDLLNYDFX-KPKJPENVSA-N 386.747 3.547 50 40 GHGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1Cl 2163261 BVMPUUCIKSIENH-UHFFFAOYSA-N 388.594 3.630 50 40 GHGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 4452904 KPSQNEAHAHLMMD-SFTDATJTSA-N 385.515 3.729 50 40 GHGB Nc1sc(-c2ccccc2)cc1C(=O)NNC(=S)Nc1ccc(F)cc1 642561 MPOGFEXUQVCACI-UHFFFAOYSA-N 386.477 3.768 50 40 GHGB N#Cc1ccc(C(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)c(F)c1 1053566 KOOULBGSFMXBPM-LSFURLLWSA-N 385.196 3.705 50 40 GHGB O=C(N/N=C/c1ccc(F)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1055523 ITOJNAYRDFZGIY-BUVRLJJBSA-N 385.402 3.837 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)o1 409363637 VBNBBKXWBHXGNE-OEAKJJBVSA-N 376.412 3.734 50 40 GHGB CC/C(=N\NC(=O)c1ccc2c(c1)nc(C)n2CC)c1ccc(OC)c(OC)c1 5691213 VJXFUTBCRJAJGC-JJIBRWJFSA-N 394.475 3.926 50 40 GHGB O=C(N/N=C/[C@H]1CC=CCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 4865503 NPJZQQHVTFUDAK-ITRAFESCSA-N 389.502 3.621 50 40 GHGB COCc1c(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)oc2ccccc12 7014611 CRRYNYFEKFVGPB-UHFFFAOYSA-N 396.487 3.947 50 40 GHGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cc2cc([N+](=O)[O-])ccc2o1 409072452 SBJUTZHNLIFFBK-WSDLNYQXSA-N 396.378 3.844 50 40 GHGB COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1[N+](=O)[O-] 408720132 TUSRKOJPZSGKOK-YBFXNURJSA-N 393.852 3.889 50 40 GHGB CN(CC(=O)C(C#N)=C1Nc2ccccc2N1)Cc1cc([N+](=O)[O-])ccc1Cl 36385069 ILXDHVRKZUMEFR-UHFFFAOYSA-N 397.822 3.522 50 40 GHGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 408991730 PBMVFKRBONTHGR-XKZIYDEJSA-N 392.415 3.775 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3)c2C)cc1 408740553 CBKMPQUUMFULNB-ZVHZXABRSA-N 389.455 3.953 50 40 GHGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)C(O)(c1ccccc1)c1ccccc1 33305203 IGYVFOAQFTZLOQ-XHPQRKPJSA-N 399.494 3.673 50 40 GHGB CCO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C\c1ccccc1Br 5316539 DBJYWEVDTLBXME-ZISGRBOJSA-N 387.277 3.851 50 40 GHGB Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c(O)c1 3148084 PRHSJZQORFOYKQ-UFWORHAWSA-N 397.656 3.646 50 40 GHGB Cc1ccc(C(=O)N[C@H](C(=O)NNc2ccccc2C(F)(F)F)C(C)C)cc1 9577538 QPQUJGYLWLGTSX-KRWDZBQOSA-N 393.409 3.912 50 40 GHGB O=C(CCCCC(=O)N/N=C\[C@H]1C[C@H]2CC[C@H]1C2)N/N=C\[C@H]1C[C@H]2CC[C@H]1C2 104021900 BSLBPCGUEKNUFS-IIMWJSRMSA-N 386.540 3.623 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C/c1cccc(Br)c1 59503465 HESKEESDMXNJNH-SRZZPIQSSA-N 384.233 3.526 50 40 GHGB CN1/C(=C(/C#N)C(=O)COC(=O)c2cc3c(s2)CCC3)Sc2ccccc21 13101365 UCTBKYAWSOOQOA-CPNJWEJPSA-N 396.493 3.940 50 40 GHGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1n[nH]c(N)c1C#N 5125759 MCUDZGSRFGGNEN-WEVVVXLNSA-N 380.751 3.749 50 40 GHGB COc1cccc2c(/C=C(\C#N)C(=O)N3CCOCC3)c(-c3ccccc3)[nH]c12 408826491 GRKGWSXOCVIDFV-SAPNQHFASA-N 387.439 3.609 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 5338237 MZPONVDERTTZQQ-UFFVCSGVSA-N 384.779 3.854 50 40 GHGB O=C(O)Cn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 5557481 QBWRZNQFXQZDTA-NUGSKGIGSA-N 389.333 3.509 50 40 GHGB O=C(N/N=C\c1ccc(O)cc1)c1ccc(OCc2nc3ccccc3[nH]2)cc1 50567331 YIEYSKUKGANANG-QRVIBDJDSA-N 386.411 3.611 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 408727916 YWJHLIVOXMTEBF-CIAFOILYSA-N 379.372 3.936 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1 408978791 KFICFRYTTOWVGG-OGTCDWKQSA-N 397.475 3.803 50 40 GHGB Cc1cccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)c1C 408906539 GXDWSMQCTWOVSL-UHFFFAOYSA-N 399.516 3.545 50 40 GHGB O=C(CSCc1ccccc1Br)N/N=C/c1ccccc1O 1421630 VKLNKFVHCFZXOO-GIJQJNRQSA-N 379.279 3.538 50 40 GHGB COc1ccc(-c2cc(C(=O)N/N=C\c3ccccc3Br)[nH]n2)cc1 4482757 ASWHMABQRYVVIU-JAIQZWGSSA-N 399.248 3.612 50 40 GHGB Cc1nc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1O 4525847 ZEYNMOZUDYXISN-KEBDBYFISA-N 384.233 3.775 50 40 GHGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)NCCCc1ccccc1 409238667 KTEVEGBNVHVNLK-SILNSSARSA-N 399.450 3.831 50 40 GHGB COc1ccc(CSCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 408778897 ZEMFPPHWXRFSQS-WSDLNYQXSA-N 380.469 3.938 50 40 GHGB COC(=O)c1cc(C(=O)CBr)ccc1OCc1cccc(F)c1 85397473 YXKLSWTYEPLVBL-UHFFFAOYSA-N 381.197 3.769 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1Br 7158728 XWULQDQFAMIXHS-LFIBNONCSA-N 385.261 3.724 50 40 GHGB COCCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 4994052 DXHCSOGBZVBTGO-QGOAFFKASA-N 391.446 3.888 50 40 GHGB CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 6693253 QCEDOXRJTIZAEX-GZTJUZNOSA-N 395.434 3.522 50 40 GHGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 25326137 DPSCJBFNWHPOKQ-XMHGGMMESA-N 397.425 3.539 50 40 GHGB Cc1ccc(C)c(OCCCOc2ccc(Cl)cc2/C=N/NC(N)=O)c1 4551313 JIAGLLWAUPYUCL-WSDLNYQXSA-N 375.856 3.807 50 40 GHGB O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccccc1 33630230 KNBBZOYSLGJZIP-FSJBWODESA-N 387.395 3.745 50 40 GHGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccccc1 409225885 SDTXUAYREHTVHA-UHFFFAOYSA-N 393.830 3.667 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1O 83327032 ZRKFCWFHUBSORP-JMIUGGIZSA-N 385.763 3.978 50 40 GHGB O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)C(Cl)Cl 3187188 KIZLLCQMEAIOEM-ZHZULCJRSA-N 399.075 3.784 50 40 GHGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)C(c1ccccc1)c1ccccc1 100510202 MURHYHBRTZJEDD-KOEQRZSOSA-N 389.455 3.610 50 40 GHGB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc2ccc(F)cc2[nH]1 408570532 WLQTXYHVPPMOPI-ZROIWOOFSA-N 393.378 3.511 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccc(Br)cc32)cc1 39555995 MXQHJRCHUWKMEC-PEZBUJJGSA-N 382.217 3.626 50 40 GHGB COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)N3CCOCC3)c2c1 408791241 XREFTFQISKZXLE-GHRIWEEISA-N 387.439 3.609 50 40 GHGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccc(C(C)(C)C)cc1 216722944 LTXAYUYBCOBGLN-UHFFFAOYSA-N 379.460 3.570 50 40 GHGB CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1 2339285 ODOLACMWIWKVAV-HYARGMPZSA-N 393.516 3.770 50 40 GHGB C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(O)cc1O 101744745 CEZFJYJQIFRFBR-VULFUBBASA-N 398.422 3.862 50 40 GHGB Cn1cnnc1SCc1ccc(C(=O)N/N=C2/CCCc3ccccc32)cc1 33579440 BSLABLNAJLPLKV-NMWGTECJSA-N 391.500 3.578 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(OCc2ccccc2)c1 705815 PVWIKZUMRMVFFI-OAQYLSRUSA-N 390.439 3.910 50 40 GHGB COc1cc(Cl)c(/C=N/NC(=O)c2cccc(Br)c2)cc1OC 100448657 KLNUTESAZMMRIE-DJKKODMXSA-N 397.656 3.884 50 40 GHGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(CC(=O)O)cc2)c1C 9201594 JZKNMESYTDZVPE-ZVHZXABRSA-N 389.455 3.794 50 40 GHGB O=C(CSc1nc2ccccc2n1C1CCCCC1)NNC(=O)c1ccco1 12525379 HPSOVFKKPBBCAU-UHFFFAOYSA-N 398.488 3.688 50 40 GHGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 6507852 XKDVYEMGCWFCIK-MRXNPFEDSA-N 392.430 3.573 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)Nc2nccs2)c(C)n1-c1ccc2c(c1)OCO2 8078209 TXVNSHPVSRTFMK-OVCLIPMQSA-N 392.440 3.825 50 40 GHGB N#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408747909 VPMIPOKSTDCYMP-YBEGLDIGSA-N 396.244 3.575 50 40 GHGB COc1ccc2cc(/C=N/NC(=O)[C@H](OC)c3ccccc3)c(Cl)nc2c1 408728085 HRVJQMHDSKXFGU-FNLSEGDXSA-N 383.835 3.735 50 40 GHGB O=C(Cn1cccc(C(F)(F)F)c1=O)NN(c1ccccc1)c1ccccc1 40051305 CLYXMMASNJYVQL-UHFFFAOYSA-N 387.361 3.737 50 40 GHGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 1095514 FNGBMRLQNWBNCE-CAPFRKAQSA-N 375.472 3.730 50 40 GHGB C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 4564937 VKJGNZOHSHVCOG-ODLFYWEKSA-N 386.458 3.837 50 40 GHGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1cccc(O)c1 101466638 SSOCRBMSLODASF-FOKLQQMPSA-N 379.338 3.546 50 40 GHGB CCOC(=O)[C@](C)(Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 1610665 MVGFKXXKGBIFIE-CMPLNLGQSA-N 395.047 3.748 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 59474735 FIVHXSBQIIPJRV-UXHMZNKVSA-N 383.879 3.967 50 40 GHGB COc1ccc(Br)cc1[C@H]1NC(=S)NC(C(C)(C)C)=C1C#N 409370175 MHAPETYTXYFNNB-CYBMUJFWSA-N 380.311 3.800 50 40 GHGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)Nc1ccccc1F 409375819 PPGQYMZPABATRK-OYKKKHCWSA-N 391.402 3.607 50 40 GHGB Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 7777305 LUFDTQZZFFTKGG-UHFFFAOYSA-N 399.834 3.599 50 40 GHGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 408598888 KSMRULVKIOYIQJ-OEAKJJBVSA-N 382.460 3.690 50 40 GHGB CCn1c(C)c(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c2cccc(C)c21 409035646 JVVHLJAFGJDKEC-JJFYIABZSA-N 395.532 3.927 50 40 GHGB COCCOC(=O)/C(C#N)=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409225798 LFCVBUYMQINCKW-UNOMPAQXSA-N 378.403 3.925 50 40 GHGB CC(C)(C)c1ccc(OCC(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1 409105470 HVKCOSACDNCZOB-UHFFFAOYSA-N 384.398 3.553 50 40 GHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2C)c1 408936726 IMDLAQPLARBOBJ-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1NC(=O)c1ccccc1 8334494 PKABHPGYHLCBIT-YDZHTSKRSA-N 394.862 3.906 50 40 GHGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc(O)cc3)cc12 40161294 DGBBTFJAGDJRLO-CIAFOILYSA-N 376.441 3.865 50 40 GHGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc(OC(F)(F)F)cc3)cc2C1 3364857 LDELFKNVFJZXGS-SNVBAGLBSA-N 398.406 3.846 50 40 GHGB O=C(COc1ccccc1Cl)NNC(=O)c1cccc(Oc2ccccc2)c1 3399953 CERJPXQILYWCIW-UHFFFAOYSA-N 396.830 3.972 50 40 GHGB O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1ccccc1 7443233 OOUTTZBFWQUWGV-UHFFFAOYSA-N 399.241 3.879 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 408839233 PDGYXRMLLUMZGI-CXUHLZMHSA-N 399.450 3.722 50 40 GHGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3)cc2)cc1 408736901 CJPAYXVEMCHDBO-MFKUBSTISA-N 399.406 3.550 50 40 GHGB O=[N+]([O-])[C@H](Br)[C@H](Br)c1ccc(Br)cc1 101051496 YGWKBNIOJQYVQW-SFYZADRCSA-N 387.853 3.883 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cc2c(cc1Cl)OCO2 706763 JCVNPVOUVCFQQQ-MRXNPFEDSA-N 392.802 3.677 50 40 GHGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1sc2ccccc2c1Cl 4616320 LAUMXKKLMOTVDB-QGMBQPNBSA-N 375.793 3.932 50 40 GHGB COc1ccccc1NCC(=O)N/N=C\C(Br)=C\c1ccccc1 4711907 WCZMURUKFVXBBH-PWTDMMQBSA-N 388.265 3.645 50 40 GHGB COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1F 6906198 JXMNWFXGOWMDJX-WSDLNYQXSA-N 388.395 3.912 50 40 GHGB CCCCc1[nH]nc2c1[C@H](c1ccc(Br)s1)C(C#N)=C(N)O2 8382673 XAZMKEBXAVVJQK-LBPRGKRZSA-N 379.283 3.794 50 40 GHGB Cc1ccc(NC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)c(C)c1 409186580 FAIXWAMMVVMIPF-UUYOSTAYSA-N 383.448 3.789 50 40 GHGB O=[N+]([O-])[C@@H](Br)[C@@H](Br)c1ccc(Br)cc1 101051491 YGWKBNIOJQYVQW-JGVFFNPUSA-N 387.853 3.883 50 40 GHGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1cccc([N+](=O)[O-])c1 100522876 NIEGGDHSMAWYRJ-OEAKJJBVSA-N 394.431 3.608 50 40 GHGB CCCOc1ccc(C(=O)N/N=C\c2ccc(O)c(Cl)c2)cc1OCC 409318245 ULVAWJWPTOBYQX-MTJSOVHGSA-N 376.840 3.997 50 40 GHGB O=C(NNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 3428731 XORFSNNOFKVJIF-UHFFFAOYSA-N 387.155 3.543 50 40 GHGB C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccccc3F)c2C(N)=O)C1 4909355 KDTHHYDFHGISCF-VSXLWIIGSA-N 383.448 3.657 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC)cc2OC)cc1 20197668 MWRNXZHUBFKCKM-CIAFOILYSA-N 376.840 3.910 50 40 GHGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1cc(-c2cccc(Cl)c2)on1 30034369 WRTBDEBSXSDNSM-UHFFFAOYSA-N 380.791 3.551 50 40 GHGB CCOC(=O)[C@@H](Br)[C@H](C(=O)OCC)c1ccc(C)c(Cl)c1 12274248 VVGKSLJKENWXJD-OLZOCXBDSA-N 377.662 3.622 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OC 13058155 MVCGOZZTGFUZFE-NTUHNPAUSA-N 386.791 3.601 50 40 GHGB C/C(=N\NC(=O)c1ccncc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 4772843 SHJBKUKUUJSMKC-ZVBGSRNCSA-N 376.199 3.649 50 40 GHGB O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(F)cc1 17441130 LMZXQXVUXZGTIK-UHFFFAOYSA-N 386.386 3.511 50 40 GHGB CC[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)ccc3OC)[C@H]2C1 4631532 MMCLSZOTVXTBKG-LFRPXUGBSA-N 388.471 3.934 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 409262127 FIFALCPRFGHXDU-OHHQFBAHSA-N 399.878 3.632 50 40 GHGB N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408790848 RKLFYQASQNLQDY-FMIVXFBMSA-N 392.242 3.969 50 40 GHGB C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 35167144 GVKYERXJRVQTPH-IWIPYMOSSA-N 388.423 3.946 50 40 GHGB C/C(=N/NC(=O)c1ccccc1)c1cc2cc(Br)ccc2oc1=O 38194834 SCUDISLLKXQALE-JAIQZWGSSA-N 385.217 3.710 50 40 GHGB CC(C)(/N=N/C(C)(C)C(=O)NN=C1CCCCC1)C(=O)NN=C1CCCCC1 102311757 YCBOLFUMOJMSEC-OCEACIFDSA-N 390.532 3.868 50 40 GHGB COc1ccc(CNCCSSCCNCc2ccc(OC)cc2)cc1 57292000 HBAJQLORFIJFBZ-UHFFFAOYSA-N 392.590 3.965 50 40 GHGB O=C(O)c1ccc(-n2cccc2/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc1 409230723 FTTFLTNJHSRHOU-JLPGSUDCSA-N 398.422 3.730 50 40 GHGB CCCCCCCCC(=O)N/N=C(\C)c1ccc(NC(=O)/C=C/C(=O)O)cc1 97965593 VWHYBMITIZJLJQ-UBXUXYOSSA-N 387.480 3.857 50 40 GHGB O=C(CCCCCNC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 5023534 SGVLCRQVULHBAR-UHFFFAOYSA-N 386.404 3.987 50 40 GHGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl 1434510 YXJZOUAFLMXTTM-LBPRGKRZSA-N 387.650 3.857 50 40 GHGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 20916071 OKSLJJDPOZPZDO-MDWZMJQESA-N 390.317 3.714 50 40 GHGB CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccc(OC)cc1 873426 MWXMGYUFGGHRLP-UHFFFAOYSA-N 377.400 3.542 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccc(C)c(C)c2)n1 6966771 XFMNLDUDJORITD-WSDLNYQXSA-N 393.516 3.743 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1ccc(F)cc1 2458413 KYKACMUITMQCAM-INIZCTEOSA-N 399.422 3.675 50 40 GHGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)ccc1O 8382605 LTBBPVALYOKPIB-INIZCTEOSA-N 394.818 3.662 50 40 GHGB C=CCc1cc(/C=N\NC(=O)COc2ccccc2Cl)cc(OCC)c1O 408849677 XTFHECRZSOTLSD-UUYOSTAYSA-N 388.851 3.702 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccccn1 408545161 ZLZQZXYBUJLZPF-WQRHYEAKSA-N 386.411 3.733 50 40 GHGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OCC 409333105 IOPRXRCITKOETK-HAHDFKILSA-N 398.459 3.821 50 40 GHGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Br)s2)cc1 254884481 BXLFTSASDLENQY-WQLSENKSSA-N 377.263 3.743 50 40 GHGB CC(C)Oc1ccc(CC(=O)N/N=C\c2ccccc2)cc1Br 31857599 LKKZTISCVHTNHC-NDENLUEZSA-N 375.266 3.929 50 40 GHGB O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc3c(c2)OCCO3)s1 32820065 JYPVAFMXHTWIBM-UHFFFAOYSA-N 397.412 3.851 50 40 GHGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 4476383 FELVPHOFRYUDJX-IBGZPJMESA-N 382.460 3.933 50 40 GHGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)COc2ccc3ccccc3c2)cc1 8569580 RHMSXBMUPSMKFP-BUVRLJJBSA-N 375.428 3.717 50 40 GHGB Cc1c(NC(=O)/C(C#N)=C/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 13940567 YMZWBEXBVLCSSP-CBLICJDJSA-N 384.439 3.586 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3O)c2C)cc1 409391282 IWDNJBMODUKYAX-YDZHTSKRSA-N 393.443 3.581 50 40 GHGB COc1cc(/C=N\NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 33516475 VCLUAVVLVPATIB-QRVIBDJDSA-N 386.492 3.769 50 40 GHGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2 44028778 GWCHYIUTEHPHFS-AWNIVKPZSA-N 386.201 3.976 50 40 GHGB N#C/C(=C/c1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2)CC1 255204291 OPFNBJUOEGQXRP-VKAVYKQESA-N 396.288 3.705 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)o1 409238007 JVUZKABVZWZYEE-UUYOSTAYSA-N 381.363 3.995 50 40 GHGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2nc3ccccc3s2)ccc1O 5527738 OGELJAAMYJKJJX-VSMYLPJWSA-N 387.486 3.641 50 40 GHGB COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1cccc(C)c1 409019745 KKTZNYWWWCCMBS-KEBDBYFISA-N 391.265 3.815 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 408744840 NNTIIVNHJKGTLT-JDQHYLEWSA-N 388.427 3.513 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 101536337 JDAFJHPAOKWBER-WYMPLXKRSA-N 393.365 3.849 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928795 KANBVJWLEVECNN-SNVBAGLBSA-N 395.198 3.860 50 40 GHGB Cc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1 12275440 DZLFRQZZCULJPX-AVRDEDQJSA-N 376.481 3.947 50 40 GHGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 1437958 WNKKQOUPGJDRQB-VFNWGFHPSA-N 388.423 3.609 50 40 GHGB COc1ccc([C@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1OC 2273754 MZOCENUVCPBOPQ-IBGZPJMESA-N 388.452 3.842 50 40 GHGB COC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1 2299999 BXGMFQGXSPJVNE-LPYMAVHISA-N 378.384 3.758 50 40 GHGB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12 15987087 JTLHNBSOIUFSSK-MHPUSIFOSA-N 384.480 3.624 50 40 GHGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 409195805 QOVUNWHIRYNCOQ-AWNIVKPZSA-N 375.211 3.945 50 40 GHGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408800919 RYCGLALLRADAEJ-APVMCDBPSA-N 377.444 3.526 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Cl)c1OC 408893146 FVYDCPWCHSCJIK-SRZZPIQSSA-N 376.840 3.828 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)c1 408996063 NWTVEXRCJOFKSA-IWIPYMOSSA-N 389.455 3.574 50 40 GHGB COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 3117362 KJIBEIBEYZQAAQ-SRZZPIQSSA-N 394.258 3.871 50 40 GHGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)c1 58912580 CJJWYRHQZALAMY-BUVRLJJBSA-N 394.519 3.564 50 40 GHGB CCOC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O 2415792 HKEJBCARUVBZDE-FOWTUZBSSA-N 389.411 3.574 50 40 GHGB O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)N/N=C/c1ccco1 5903071 SJOPUNKAJGYTDP-LPYMAVHISA-N 392.484 3.858 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccs2)c1C 408592388 XYKOYTFPPYZWCP-CIAFOILYSA-N 381.457 3.706 50 40 GHGB C/C(=N\NC(=O)CN1CCCCCC1=O)c1ccc(-c2ccc(F)cc2)s1 98054397 ZAKSUKJFYRSSSG-HYARGMPZSA-N 387.480 3.797 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(OCC)c2)c1 408744512 FRZLSYLIHOUKAD-ATVHPVEESA-N 391.427 3.932 50 40 GHGB O=C(N/N=C\c1ccc(N2CCCC2)c(F)c1)c1ccc(-n2cccc2)cc1 409111143 ALLCYDHBAAEERT-JLPGSUDCSA-N 376.435 3.981 50 40 GHGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)COc1ccc(Cl)cc1 6043985 CWWZOGJHPKZMMG-FSJBWODESA-N 389.858 3.917 50 40 GHGB COc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 13532926 TXCDZICBWXZKTM-XTCQQWIJSA-N 395.484 3.526 50 40 GHGB COc1ccccc1[C@@H]1CC(=O)N2CN(c3ccccc3)CSC2=C1C#N 2327440 QVYPYWMQUABEPW-KRWDZBQOSA-N 377.469 3.915 50 40 GHGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 4549272 ACGVULJXYDNDFW-WSDLNYQXSA-N 378.384 3.726 50 40 GHGB CCOc1c(Br)cc(/C=N\NC(=O)c2cccc(C)c2)cc1OC 408952317 JZVNDFIJJJQBMC-JAIQZWGSSA-N 391.265 3.929 50 40 GHGB Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)ccc1Cl 15995599 XBWZIKIZAJFGIH-UHFFFAOYSA-N 395.846 3.697 50 40 GHGB O=C(N/N=C/c1ccccc1Br)c1ccc(Br)cc1 6672593 ADNHZBFFUKATSL-RQZCQDPDSA-N 382.055 3.976 50 40 GHGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)s2)cc1 672107 MOWPLIIEERAJFW-RQZCQDPDSA-N 380.267 3.623 50 40 GHGB O=C(N/N=C/c1cccn1-c1ccccc1F)c1ccc(N2CCCC2)cc1 408676490 JGZXPHJSWPJWHS-LFVJCYFKSA-N 376.435 3.981 50 40 GHGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17080842 YDIYWMZITSBOND-SJORKVTESA-N 395.459 3.669 50 40 GHGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(Br)s2)c1 409003190 YLSIXTWMWLABBO-NVMNQCDNSA-N 381.295 3.911 50 40 GHGB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 10475783 NMHMNPJKOKGLLR-HYARGMPZSA-N 393.399 3.946 50 40 GHGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Br)c1 652066 DANMPQJBAHVXOI-CAOOACKPSA-N 382.601 3.775 50 40 GHGB CC(C)(C)OC(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2295922 AIGKLIMLZMSUSI-UDWIEESQSA-N 385.376 3.673 50 40 GHGB Cc1ccc(OCCn2cccc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 4599758 KJQZHTUJHHQXFK-NBVRZTHBSA-N 375.428 3.692 50 40 GHGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4953825 URHCGNNALCZHGJ-MDWZMJQESA-N 385.763 3.580 50 40 GHGB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O 408653280 FKTOSBCTLGSJCO-INIZCTEOSA-N 382.416 3.678 50 40 GHGB CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570546 WQAAWZWITZCYNZ-ZSOIEALJSA-N 395.390 3.717 50 40 GHGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NC1CCCCC1 7747357 LEPYOYDOXGTIEA-RVDMUPIBSA-N 387.277 3.817 50 40 GHGB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(CBr)[C@H]2Br 109275306 OZJYQWHCUOQKDZ-WHFVKQHSSA-N 388.925 3.668 50 40 GHGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1F 2322679 OLYCXFMFYFJAMD-QGZVFWFLSA-N 382.366 3.747 50 40 GHGB Cc1cccc(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)c1C 6217566 FCYDVBQRADGGRY-AWQFTUOYSA-N 391.265 3.609 50 40 GHGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)ccc1Cl 409037715 YNVKKNYNCBGVIV-FSJBWODESA-N 397.818 3.936 50 40 GHGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)c(C#N)c1C 409373607 XOWCKUMWFVCJSV-FOKLQQMPSA-N 376.416 3.645 50 40 GHGB NNC(=O)c1cn(C(=O)c2cccc(OCc3ccccc3)c2)c2ccccc12 216943031 NIEXQZNCKMXQMQ-UHFFFAOYSA-N 385.423 3.512 50 40 GHGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccccc1F 40128793 PJXGRVPRFDSRNV-UHFFFAOYSA-N 395.346 3.601 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cccc(C)c2nc1Cl 872605 BZHMMSOZHFNXNW-INIZCTEOSA-N 383.835 3.841 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1O 59515258 QHSCQLRHBSYEOI-LPYMAVHISA-N 383.448 3.539 50 40 GHGB N#CC(C(=O)COC(=O)c1ccc2ccccc2c1O)=C1Nc2ccccc2N1 6122123 GUXJUXUNTJHRTJ-UHFFFAOYSA-N 385.379 3.544 50 40 GHGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccco2)cc1 15938773 UJUXRHZXLWDIDZ-LPYMAVHISA-N 392.371 3.594 50 40 GHGB CCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Cl)cc1Cl 2750085 IXWOSDBFAKVDJM-ZVBGSRNCSA-N 382.247 3.973 50 40 GHGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OC)c(OCC)c2)cc1 10476028 WDJXJHGTZYGSEX-LPYMAVHISA-N 390.867 3.839 50 40 GHGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c1 59334489 MFHVBFLQCMKNKH-SXGWCWSVSA-N 385.851 3.529 50 40 GHGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccc(O)cc1 9265475 QKWMHDQRXUPXOM-UDWIEESQSA-N 384.233 3.709 50 40 GHGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CC#N)c2C)c1 20243773 BLGAMUQJLDAOTN-UFFVCSGVSA-N 387.281 3.837 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OCC 408870106 VKMUYKGSNKJRTP-LPYMAVHISA-N 388.851 3.833 50 40 GHGB COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccccc2Cl)c1 408586275 MLJPRSMXKMZRGV-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1Oc1nc(Cl)ncc1F 34718412 HSAXPLOAFVFBAY-BJMVGYQFSA-N 378.816 3.653 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)n1 6964289 SBUGSTWKJVMSHF-UFFVCSGVSA-N 381.505 3.871 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1Br 59401515 YABWZYVPVXYMJA-VXLYETTFSA-N 380.673 3.932 50 40 GHGB Cc1ccc([C@H]2CC(=O)N3CN(Cc4cccnc4)CSC3=C2C#N)cc1 20347950 BTIQIPOCXNKMHA-GOSISDBHSA-N 376.485 3.605 50 40 GHGB CCn1c(SCC(=O)N/N=C\c2ccc(C)s2)nnc1-c1ccc(C)cc1 4680269 ZKQXLHAXHOSWOT-JAIQZWGSSA-N 399.545 3.886 50 40 GHGB C#CCn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21 408963853 DJKBCYNVIVCMMD-WSDLNYQXSA-N 386.367 3.693 50 40 GHGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 211436686 IJYXZDSVMMIWKK-YVLHZVERSA-N 380.831 3.584 50 40 GHGB Cc1ccc(C(=O)Nc2cccc(/C=N/NC(=O)CNc3ccccc3)c2)cc1 33045599 JHVIYRBSCSXSEU-MFKUBSTISA-N 386.455 3.810 50 40 GHGB CCOc1ccc(CCCC(=O)N/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 5872965 JQXWKMMGDYBXHN-PXLXIMEGSA-N 398.463 3.533 50 40 GHGB CCC(=O)O[C@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br 1614610 MHTNNNUSJAXYQC-CPFSXVBKSA-N 394.059 3.956 50 40 GHGB CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1cc(OC)ccc1O 2750365 SHZQOSDNJPXIKH-XYHOIZSOSA-N 375.856 3.703 50 40 GHGB N#CC1=C2SC[C@@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1ccccc1F 12275075 SPDYSNODSHXRCU-FOIQADDNSA-N 384.407 3.608 50 40 GHGB CC1(C)[C@@H]2CC[C@@](I)(C2)[C@@H]1I 104132325 OQVFUAQDBDHWBC-ZXFLCMHBSA-N 376.019 3.804 50 40 GHGB CC1(C)C(=O)[C@]2(Br)CC[C@@]1(CBr)[C@@H]2Br 103708448 OZJYQWHCUOQKDZ-QUNWWBBNSA-N 388.925 3.668 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCCC[C@H]2C)c(C)n1CC(C)C 5180764 XVFDNFKIGNQVDF-MBTVCVBTSA-N 385.508 3.612 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SCCS1 409249877 IZQIDHRFXKUILU-YBFXNURJSA-N 390.486 3.681 50 40 GHGB COCCn1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C 8334263 KTTAGIKMKRWVNF-RGVLZGJSSA-N 379.913 3.647 50 40 GHGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(Br)cc1 1449353 CGDWRIYCGWVFBV-DJKKODMXSA-N 381.657 3.940 50 40 GHGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)O 6735781 XGBGCWVAEWXYGX-ACAGNQJTSA-N 388.763 3.784 50 40 GHGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1 9089458 KEPUJIGKSUVYEU-QGZVFWFLSA-N 395.459 3.845 50 40 GHGB C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(C(=O)O)cc1)c1ccccc1 409230239 XQMBNDLESNLHEM-UYPHOHSBSA-N 385.423 3.960 50 40 GHGB O=C(Cc1coc2cc3c(cc12)CCC3)NNc1c(F)c(F)nc(F)c1F 15980898 WDMZKTSHBBIASS-UHFFFAOYSA-N 379.313 3.559 50 40 GHGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(I)cc1 408721666 WUISSSHOZTWDBD-FHVBXRPFSA-N 382.245 3.568 50 40 GHGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C\c3cccnc3)[nH]n2)cc1 30735443 VOFYDNHMPQHJCT-HAHDFKILSA-N 377.448 3.805 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)o1 44397160 KXDJIQXHYXITSZ-ZMOGYAJESA-N 391.427 3.604 50 40 GHGB COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C(=O)[C@@H](Br)[C@@H]12 5063079 VXNUYSOLTINORZ-JZGRTCEGSA-N 395.293 3.892 50 40 GHGB Cc1cc(OCC(=O)NNC(=O)c2ccc(F)cc2)c(C(C)C)cc1Cl 5703877 GZQPZJFCERMAOF-UHFFFAOYSA-N 378.831 3.751 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(O)c1 9203648 AJYXKDVQVGARQN-RGVLZGJSSA-N 391.265 3.635 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 12577451 WKUPKWYHLSLMGY-JYQBEENSSA-N 397.258 3.928 50 40 GHGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 4705281 IAURQYNSJOHKHT-HYARGMPZSA-N 375.384 3.791 50 40 GHGB CSc1ccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 4730795 OYLVDKJTQOSNDG-PMACEKPBSA-N 389.528 3.542 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)c(Br)cc1OC(C)C 17080322 VEOUEUVZDBUTAH-NTUHNPAUSA-N 393.281 3.821 50 40 GHGB CCOc1ccccc1C(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 96809766 IHEOORQPHADLHM-HMMYKYKNSA-N 394.452 3.788 50 40 GHGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 408599540 VZDRMXLCVBXENB-HYARGMPZSA-N 379.416 3.668 50 40 GHGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409366187 SVKHWSVOTMLSEE-FOKLQQMPSA-N 397.818 3.860 50 40 GHGB CN(NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1ccccc1 32856119 NOHVDLFIJHVTIE-OAHLLOKOSA-N 395.406 3.676 50 40 GHGB CCc1cc2cccc(C)c2nc1SCC(=O)NNC(=O)c1ccccc1 5985088 XPPHJPMMWOKQTP-UHFFFAOYSA-N 379.485 3.659 50 40 GHGB C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 25424562 UIUIBJVCOYBWNS-NYULRVJFSA-N 396.520 3.509 50 40 GHGB Cc1ncc(CN(Cc2cnc(C)s2)C[C@@H](CCl)n2cccn2)s1 69438041 ZLEYINCDTFDTCZ-CQSZACIVSA-N 381.958 3.895 50 40 GHGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(N2CCCCC2)cc1 58651827 QYNMNQKPADRXFC-JJIBRWJFSA-N 397.548 3.716 50 40 GHGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 2339001 XXIWUNQBHYSNFO-SFHVURJKSA-N 377.469 3.915 50 40 GHGB O=C(c1ccc(Br)c(F)c1)[C@H](Br)CBr 307747860 ADSYASZEYJNPGQ-SSDOTTSWSA-N 388.856 3.929 50 40 GHGB N#C/C(=C\c1ccc(C(=O)O)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 13598464 NIONGLZUINJAFB-UKTHLTGXSA-N 377.425 3.626 50 40 GHGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OCC 5130198 FPKKVUZMNFUGEX-INIZCTEOSA-N 382.464 3.723 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)cc2)c1C 408589657 MLZMBRGKLOLPRP-ZVHZXABRSA-N 389.455 3.953 50 40 GHGB CCOC(=O)/C(C#N)=C\C=C(C)\C(C)=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17139570 PRFUVCLVVZEPRB-CTLDBTKPSA-N 386.364 3.778 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2cccc(C)c2)nnc1-c1ccc(C)cc1 1246433 JRJOXIZFGMZTFZ-LPYMAVHISA-N 393.516 3.824 50 40 GHGB CS(=O)(=O)c1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 23681281 YJXHVPCUYVFBCV-UHFFFAOYSA-N 393.679 3.807 50 40 GHGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 1452622 DQRGPBMDJGHGPJ-FOWTUZBSSA-N 392.846 3.684 50 40 GHGB CCCCCC[C@@H](C)Oc1ccc(Cl)cc1/C=N/NC(=O)c1nonc1N 408976210 PTNQPPKUMQVGOA-KIHMUJGBSA-N 393.875 3.807 50 40 GHGB O=C(c1sccc1Br)[C@@H](Br)CBr 307253143 URGMFTTVSIOZHG-YFKPBYRVSA-N 376.895 3.852 50 40 GHGB Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)n1 409104673 DRLIQOXHIAOHBJ-JLHYYAGUSA-N 384.461 3.591 50 40 GHGB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CCl 1223661 GIPBASDSUFBUBE-UHFFFAOYSA-N 382.869 3.975 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@H]1c1ccccc1 6496096 BDJOTBVDXUKDIP-AWEZNQCLSA-N 381.432 3.536 50 40 GHGB Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 3139191 UTGVFFLFJKOWDY-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB O=C(O/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)C(Cl)Cl 1401159 WXNTYNLFICLKSS-STZFKDTASA-N 397.645 3.938 50 40 GHGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(O)cc1 409187123 MHWOCJUKZPQCDW-RGVLZGJSSA-N 378.413 3.777 50 40 GHGB O=C(c1cc(Br)ccc1F)[C@@H](Br)CBr 306492659 XXMSOYTYDVMQLS-ZETCQYMHSA-N 388.856 3.929 50 40 GHGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)c1 408529978 KPXFHLNKTGSYFR-OEAKJJBVSA-N 392.411 3.652 50 40 GHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2C)c1 408591432 TUCZCLLKKPGLFU-ZMOGYAJESA-N 389.455 3.824 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)c2ccc(Br)cc2)c(OC)c1 96581330 LJMTVOGBSJAPOK-YBFXNURJSA-N 377.238 3.620 50 40 GHGB O=C(N/N=C/c1cn(CCOc2ccccc2)c2ccccc12)c1ccncc1 1105172 PRAAYCQUVPLZOO-PCLIKHOPSA-N 384.439 3.879 50 40 GHGB COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1C 15227083 WAOIEQRDZIHEDM-PDGQHHTCSA-N 389.455 3.759 50 40 GHGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC(N)=O 409231493 KTTKASIFFHQGQY-QPEQYQDCSA-N 390.226 3.674 50 40 GHGB O=C(N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21)c1ccccc1 46085161 UDWWAIBUGOWUIS-LVWGJNHUSA-N 399.450 3.636 50 40 GHGB C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccccc1F)c1ccccc1O 5162852 BOFPBCPUEZKOSU-AFUMVMLFSA-N 391.402 3.938 50 40 GHGB COc1ccccc1[C@@H]1C(C#N)=C(SCc2ccccc2)NC(=O)[C@H]1C#N 9012391 NWHPOYYUBVAVIP-LPHOPBHVSA-N 375.453 3.717 50 40 GHGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nnc2n1CCCCC2 7159052 WTLLAMHATRUHJZ-WUXMJOGZSA-N 387.237 3.560 50 40 GHGB CO[C@@H](C(=O)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl)c1ccccc1 408728582 PDFMPYIZFIXNCT-LASGFXPTSA-N 398.806 3.634 50 40 GHGB N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccc(I)cc1 408764563 JHLLQPVPHACNLY-WQLSENKSSA-N 390.180 3.542 50 40 GHGB CCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2OC)c2ccccc21 409390802 VVNXEVOTUKOGBU-CAPFRKAQSA-N 375.428 3.758 50 40 GHGB C[C@@H](Cl)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 5107105 OXISTAUYZKQCHR-SNVBAGLBSA-N 386.791 3.980 50 40 GHGB Cc1c(/C=N/NC(=O)[C@@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)cnn1C 2787072 SLNYJURAGXPHLL-ZSVBHWRJSA-N 392.507 3.665 50 40 GHGB C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 25424567 UIUIBJVCOYBWNS-GOJDIKKVSA-N 396.520 3.509 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc2c(c1)OCO2 59334776 NUCZYHRLRBRYCC-ODLFYWEKSA-N 390.439 3.718 50 40 GHGB N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1ccc(F)cc1 9329846 GTHKWNGXZFGQSP-KRWDZBQOSA-N 396.443 3.641 50 40 GHGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N/NC(N)=O)[C@@]4(C)CC[C@@H]32)C1 118923409 CDZFBBLHHNZLCF-MEJXTXSCSA-N 387.524 3.905 50 40 GHGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)CNc3ccccc3)c2C)c(C#N)c1C 409377182 GPTKWBPERYMXJW-BRJLIKDPSA-N 389.459 3.738 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c1 409077296 DTGVGFWBHDNBKL-SRZZPIQSSA-N 383.335 3.766 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)c(OC)c1 409009556 AXERXBIVXUQRJF-RQNDZEIBSA-N 394.427 3.655 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)c(OCC)c2)c1 408752081 FUDJNTPREOPRKG-GZTJUZNOSA-N 394.427 3.955 50 40 GHGB CC(=O)N1N=C(c2ccc3c4c(cccc24)C(=O)OC3=O)C[C@@H]1c1ccccc1 670418839 XIHJBKYIUXZGME-HXUWFJFHSA-N 384.391 3.848 50 40 GHGB O=C(N/N=C/c1cccc2ccccc12)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089202 KEIIGWHONSSNFA-OEAKJJBVSA-N 399.410 3.757 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)cc1 5653950 VCMWXRAYTGXWPF-SFQUDFHCSA-N 394.427 3.816 50 40 GHGB COC(=O)N/N=C/c1ccc(OCCCOc2cccc(C)c2C)c(OC)c1 4575964 HSZFJGMATAPUMZ-HYARGMPZSA-N 386.448 3.850 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)cc1C 408586090 BGULLBRKOBSCKL-VXLYETTFSA-N 390.237 3.667 50 40 GHGB BrCc1ccc(Br)c(I)c1 97436568 LOOYOQGDKQDGGY-UHFFFAOYSA-N 375.829 3.949 50 40 GHGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1n[nH]c(N)c1C#N 5387446 ZSDNNLVPHYLEJV-BJMVGYQFSA-N 379.763 3.539 50 40 GHGB C=CCOc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 59417054 DVEQLTYZHABDKU-OEAKJJBVSA-N 380.473 3.760 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408734734 IXLQUACHCXLDKT-XNTDXEJSSA-N 384.819 3.828 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(OC)c3)c2C)cc1 408585983 ABQBOPAMHUONDF-OEAKJJBVSA-N 377.444 3.875 50 40 GHGB CN1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3Cl)[C@@H]2CC1 5489677 RHHRZOYFRPZABQ-BZNIZROVSA-N 384.270 3.696 50 40 GHGB CC/C(=N/NC(=O)CSc1nc2ccccc2n1CC)c1ccc(O)cc1 4888222 SGQQILWWTWGAGP-JWGURIENSA-N 382.489 3.784 50 40 GHGB N#C[C@H](C(=O)N/N=C/c1ccc(OCCOc2ccccc2)cc1)c1ccccc1 409206708 VZRYLSHODBIKSU-HXTHCWADSA-N 399.450 3.902 50 40 GHGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)ccc1Cl 409041416 VTCBBCZMFLVBRL-FSJBWODESA-N 397.818 3.936 50 40 GHGB C#CCOc1cccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)c1 409314347 FTTMZPLDZQJASW-KQWNVCNZSA-N 380.444 3.650 50 40 GHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 33768858 CLIVIDXJUANEHK-BUVRLJJBSA-N 387.439 3.988 50 40 GHGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1O 6656386 KJMUSWJSFAGCRP-UDWIEESQSA-N 391.265 3.636 50 40 GHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc(C)cc(C)n1 6964629 FYBJDWIGMGJTIN-WSDLNYQXSA-N 394.500 3.888 50 40 GHGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N/NC(N)=O)[C@@]4(C)CC[C@@H]32)C1 118923412 CDZFBBLHHNZLCF-HCDOSSSBSA-N 387.524 3.905 50 40 GHGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1 58884352 OEOLJKQHHOBXMI-YDZHTSKRSA-N 394.862 3.836 50 40 GHGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc2c(c1)OCCO2 3266847 QBRABMVYKVFEAR-BUVRLJJBSA-N 388.423 3.654 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59302056 VHCNSOOPPPBUTA-FOKLQQMPSA-N 396.834 3.605 50 40 GHGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=S)Nc1cccc([N+](=O)[O-])c1 6970293 BXBGVDZCMZKILE-UHFFFAOYSA-N 388.493 3.519 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)c1 409130025 LRFPWVPIIDCABW-AWEZNQCLSA-N 383.498 3.767 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)cc1 2214367 CXBFVNNRXUDZRM-LPYMAVHISA-N 379.416 3.514 50 40 GHGB C=CCn1c(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)nnc1C1CC1 100828248 ZHVVLCYGXYJVPI-GFCCVEGCSA-N 392.488 3.664 50 40 GHGB O=C(c1ccccc1)[C@@H](O)[C@](Br)(CBr)c1ccccc1 1594521 FYZRJJCEZLENPQ-CVEARBPZSA-N 398.094 3.916 50 40 GHGB Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 58884741 XPLGBDPYAWHBCG-FYJGNVAPSA-N 379.441 3.938 50 40 GHGB N#CSc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(Br)c1 12809100 CBGHFUGZERKHEI-MNOVXSKESA-N 381.251 3.628 50 40 GHGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@H]1c1ccnc2ccccc12 8382645 NKVDFMWOYCYVCF-SFHVURJKSA-N 383.386 3.982 50 40 GHGB CN(C)c1oc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1Br 408854513 HDXCARYPLJBOFL-IUXPMGMMSA-N 385.649 3.917 50 40 GHGB COc1ccccc1/C=N\NC(=O)COc1c(C)cc(C)cc1Br 20103137 VFDDUFUMPQMHDK-JMIUGGIZSA-N 391.265 3.604 50 40 GHGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1 6684397 FINNNNHEHFLRLU-KEBDBYFISA-N 385.880 3.525 50 40 GHGB Cc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1cc(Cl)ccc1C 7443186 ABJWWSKDQWVVBX-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc2c1CCCC2 942013 QLWJMDRSLOVHPZ-SDNWHVSQSA-N 396.468 3.968 50 40 GHGB COc1cc(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)c1O 12406829 NNYDDGKRHYCGLK-LSCVHKIXSA-N 383.629 3.581 50 40 GHGB Cc1cc(N2C(=O)CS/C2=C(/C#N)C(=O)NC2CCCCC2)ccc1Cl 3222785 RGMYHRHICUXFHC-CYVLTUHYSA-N 389.908 3.912 50 40 GHGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccccn1 409247041 FZULSIYPASVRMT-FMCGGJTJSA-N 382.851 3.672 50 40 GHGB N#C/C(=C/c1cccc(I)c1)C(=O)NCc1ccccc1 408928087 WEPQGXBOVACOSO-DHDCSXOGSA-N 388.208 3.515 50 40 GHGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1O 44062031 MLZHJTXCYCZLFN-GRSHGNNSSA-N 377.238 3.626 50 40 GHGB O=C(N/N=C/c1cccc(I)c1)c1ccc(Cl)cc1 1084894 HKZSCYRXTLOITB-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)c1nc2nc(C)cc(C)n2n1 12446125 KTVXUBOEJXGOAZ-CIQAXZLMSA-N 376.464 3.684 50 40 GHGB COCCOc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c2ccccc12 8106062 CIOXZCHHVACBOZ-HUXSYLCKSA-N 387.439 3.622 50 40 GHGB C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 6685049 NFBIOVBVVNBSQT-CIAFOILYSA-N 399.497 3.700 50 40 GHGB Cc1ccc(S(=O)(=O)N2CC[C@H](Br)C(=O)c3ccccc32)cc1 692286 ROMIWXZYHPTADM-HNNXBMFYSA-N 394.290 3.540 50 40 GHGB CC(C)(c1ccccc1)c1ccc(OCC(=O)NNC2=CC(=O)CCC2)cc1 408958389 YKOYPWWIRYJLTR-UHFFFAOYSA-N 378.472 3.649 50 40 GHGB O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 9110155 ZZMXYHDQLFBLCY-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2C#N)cc1 409138460 CBHISUMFIUZRBV-QFIPXVFZSA-N 397.434 3.952 50 40 GHGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 32109601 ZUAUCVILYWTPLL-BUVRLJJBSA-N 387.439 3.663 50 40 GHGB CC(C)(C)OC(=O)n1nc(CBr)c2cc(Br)cnc21 80443777 PFRAHKXBSKFZEE-UHFFFAOYSA-N 391.063 3.872 50 40 GHGB O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cccs2)C1 32759015 CWWPOAGMCQOUKQ-LBPRGKRZSA-N 397.422 3.762 50 40 GHGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 59453925 PWGDAUVITPCIPD-UHFFFAOYSA-N 386.293 3.831 50 40 GHGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 409393185 VHBZOIQSXASAJT-HMAPJEAMSA-N 375.384 3.583 50 40 GHGB COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408542899 ONLZFDXUGLDZJY-MLPAPPSSSA-N 386.791 3.601 50 40 GHGB Cc1ccccc1CC(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 17441271 YPINWNHGUDTJBO-UHFFFAOYSA-N 396.450 3.609 50 40 GHGB CCOC(=O)c1cccc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 101192790 FOHNEHQDVVZSBI-ATVHPVEESA-N 390.848 3.767 50 40 GHGB O=C(CCc1ccc(NP(=O)(N2CC2)N2CC2)cc1)OCc1ccccc1 104390658 ZUZARIODIAHSGN-UHFFFAOYSA-N 385.404 3.514 50 40 GHGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(Cl)c1 409125172 DGWCDZQVKXIKSA-SSDVNMTOSA-N 396.249 3.733 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1O 4815516 HBNAWDPTXQGNBC-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1O 408798713 WTFZWLWHCHCQIX-OQLLNIDSSA-N 379.372 3.583 50 40 GHGB CCCC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C(\C#N)CCCC(=O)O)C[C@@H]21 38496633 OJIGXQJDLFUVFM-QCGMRKNMSA-N 391.508 3.548 50 40 GHGB in-vitro CCOc1cc(C(=O)NN)cc(Cl)c1OCc1ccc(Br)cc1 226328949 ANTPDCBVLJSNAB-UHFFFAOYSA-N 399.672 3.684 50 40 GHGB COc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(OC)c1O 30802763 BZECXOYVFGIUOA-FYHPJVROSA-N 396.487 3.961 50 40 GHGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc4ccccc34)CC2=O)cc1 59391498 LISLWDXGOVDFCW-UQEONJGVSA-N 385.467 3.905 50 40 GHGB C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 409319108 AHAJEAWLHQRNMN-BFYDXBDKSA-N 383.517 3.548 50 40 GHGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)OC(C)C 5207544 OKABWFGHZUNQLN-MHWRWJLKSA-N 391.427 3.966 50 40 GHGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)C3CCCC3)cc2)cc1 5512441 CYYMQXCOMHKYGM-UHFFFAOYSA-N 382.460 3.616 50 40 GHGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 5924062 XUZLBPXQFJBGRM-SFHVURJKSA-N 388.427 3.789 50 40 GHGB COCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(C)c2)c2ccccc12 408807748 HMUWIYBSRDYPSO-XSFVSMFZSA-N 387.483 3.976 50 40 GHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c(C)[nH]c2ccccc12)c1ccccc1 408976629 BJDHRNCYVGZSDD-BTVXTAIASA-N 392.459 3.804 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 409242563 OQDZLIUMJFUELR-YDZHTSKRSA-N 394.406 3.834 50 40 GHGB CCOc1cc2c(cc1/C=N\NC(=O)c1cc3cc(Cl)ccc3o1)OCO2 409102388 SKNQEZNWFQXCFT-NKVSQWTQSA-N 386.791 3.978 50 40 GHGB CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)OCC)c1-c1ccccc1 409116596 JOHNORSTBIFVLI-UHFFFAOYSA-N 395.864 3.946 50 40 GHGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(Br)cc2)cc1OC 5480011 ZRRVYWLTZUMBFI-UDWIEESQSA-N 391.265 3.549 50 40 GHGB COc1cc(C(=O)NNc2nc3c(C)c(C)ccc3s2)cc(OC)c1OC 4121426 QPYSSLKVTPGITN-UHFFFAOYSA-N 387.461 3.696 50 40 GHGB CCOC(=O)c1c(NC(=O)N/N=C/c2ccco2)sc2c1CC[C@H](C)C2 943707 QZUNROJXEJHYRB-VSMYLPJWSA-N 375.450 3.798 50 40 GHGB CCOc1ccccc1/C=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 35784954 KMODTVMKIZUIIQ-IFRROFPPSA-N 387.654 3.787 50 40 GHGB O=C(NNc1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 100933028 OXTSWLALBRDLDI-UHFFFAOYSA-N 392.152 3.835 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)CSc2ccccc2)cc1Br 408864056 RXPBPBRUUCWXNM-YBFXNURJSA-N 392.322 3.758 50 40 GHGB CC(C)c1n[nH]c2c1[C@H](c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2 6492554 OFHLATCYEMCERE-MRXNPFEDSA-N 390.399 3.563 50 40 GHGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C(/CC(=O)c1cccs1)C(F)(F)F 4481146 RXFFCLQVYXWTLQ-ZHZULCJRSA-N 399.350 3.506 50 40 GHGB CCCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccccc3O)[nH]n2)cc1 100918581 PERAABNOBHUDNP-HMAPJEAMSA-N 378.432 3.725 50 40 GHGB C[C@@]1(C(=O)[C@@H](Br)[C@H](Br)c2cccc(Cl)c2)CO1 4940167 ZJAADAJXBRJTHI-SCVCMEIPSA-N 382.479 3.898 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)cc1 6476794 RORHMEFCLFNFKH-KRWDZBQOSA-N 377.469 3.706 50 40 GHGB C/C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)=N/NC(=O)c1ccc(C)cc1 101156005 APXNYCJWKWWBLJ-AQHIEDMUSA-N 386.267 3.893 50 40 GHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 4041153 WUYSBDPUWBEJOT-XNTDXEJSSA-N 381.388 3.856 50 40 GHGB O=C(/C=C/c1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 4545277 CBNHUHZNVOYYJG-NTCAYCPXSA-N 399.450 3.663 50 40 GHGB CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCCOc1cc(C)cc(CC)c1 4575359 IDRPSVSYQHTUIQ-UNOMPAQXSA-N 394.471 3.806 50 40 GHGB CCc1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)c(OC)c1)C(C#N)=C(N)O2 4631733 CFCYFRIUXVAYDF-SFHVURJKSA-N 380.448 3.520 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 409344806 JLLDPYACFIUQNU-FOKLQQMPSA-N 396.378 3.865 50 40 GHGB NNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226326866 XFIKMDTYVCSSIK-UHFFFAOYSA-N 390.064 3.938 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 1083731 JMMFEAKYUXFRTK-KEBDBYFISA-N 376.865 3.510 50 40 GHGB O=C1[C@@H]2C[C@H]3[C@H]4[C@H]2[C@@]2(Cl)[C@H](Cl)[C@](Cl)([C@@H]13)[C@]4(Cl)C2(Cl)Cl 100488118 IZHZFAQWVKBTSL-JNVJNHEWSA-N 380.913 3.809 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408999836 SMQCRUWRZKUBPU-HYARGMPZSA-N 376.416 3.695 50 40 GHGB CCC[C@@H](C(=O)OCC)/C(C)=N/NC(=O)COc1cc(C)ccc1C(C)C 4860463 UJHGEOCSGLVZHZ-IPEVAPCJSA-N 376.497 3.969 50 40 GHGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(SC)cc3)[C@@H]2C1 15163296 DYNZTBKFWZKPBU-WOJBJXKFSA-N 389.528 3.544 50 40 GHGB COc1cc2c(cc1/C=N\NC(=O)c1cccc(-n3c(C)ccc3C)c1)OCO2 409069536 JNGKONYZNIMQSF-FMCGGJTJSA-N 391.427 3.595 50 40 GHGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2)c1 408734535 HOLMSFAOGRHSKY-WVWKGNOCSA-N 376.456 3.776 50 40 GHGB COc1ccc(OCC(=O)N/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 408853459 TUZPNMHYXOUFPS-XKZIYDEJSA-N 383.835 3.668 50 40 GHGB CCOP(=O)(OCC)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 5980154 FXXTUUPVNJALHO-OAHLLOKOSA-N 393.336 3.900 50 40 GHGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1 6477531 IMVUJXDMRCEXJW-KRWDZBQOSA-N 385.533 3.712 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c2ccccc12 6961912 XEZHXBLIKQCSOH-WSDLNYQXSA-N 394.500 3.888 50 40 GHGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(N)=O 59133455 XSLIHHKWJMDKAY-NTUHNPAUSA-N 375.197 3.559 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(C(N)=O)cc2)c(C)n1CC(C)C 16812585 OVPXPUAOAYWEDS-KEBDBYFISA-N 379.460 3.510 50 40 GHGB O=C(N/N=C/c1ccc(I)o1)c1ccc2ccccc2c1 408993265 DAFWZFSHMKKGSS-VCHYOVAHSA-N 390.180 3.801 50 40 GHGB Cc1c(C(=O)NNS(=O)(=O)c2c(Cl)cccc2Cl)oc2ccccc12 12976475 AGRUWGHGWUMXLF-UHFFFAOYSA-N 399.255 3.671 50 40 GHGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 13285958 GAMZOUDMYONMDG-VBKFSLOCSA-N 396.834 3.504 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 4735313 ICUAJXFYVMSBMR-GIJQJNRQSA-N 396.628 3.704 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OCCC)cc1 20198166 NIHOOKJCPXUWHG-KGENOOAVSA-N 385.420 3.936 50 40 GHGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N2C(=N1)SC(C#N)=C2N 135983762 XLSWZNJILOTYHX-SFHVURJKSA-N 387.468 3.710 50 40 GHGB N#C/C(=C/c1ccccc1I)c1nnc2n1CCCCC2 84494377 ZMZATLAKCMHOOR-RAXLEYEMSA-N 390.228 3.673 50 40 GHGB CCOc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC 5654135 MUGPOWKWIJNNNE-FSJBWODESA-N 380.366 3.806 50 40 GHGB CCc1ccc2nc(SCC(=O)NNC(=O)c3cccc(C)c3)c(C)cc2c1 932935 YCSWXCJSZHJWOL-UHFFFAOYSA-N 393.512 3.967 50 40 GHGB O=C(NNC(=O)c1ccoc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 22738414 AHNUDMYGTDWGST-UHFFFAOYSA-N 392.440 3.523 50 40 GHGB N#C/C(=C\c1ccco1)C(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1 941251 WUSKFXQCQITWQB-JOBJLJCHSA-N 398.378 3.964 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1Cc1ccccc1F 408871952 IHKYHISANHKPAW-AWNIVKPZSA-N 389.224 3.580 50 40 GHGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc2cccnc12 12991875 PREXYTMFBIMZOJ-HNNXBMFYSA-N 385.423 3.617 50 40 GHGB Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)CCl)[C@@H]2C(C)C)cc1 4778715 PCVMTNOXAZTDHC-IBGZPJMESA-N 392.908 3.758 50 40 GHGB N#CCn1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21 408904254 HCVZXWJVOSFZLA-JJFYIABZSA-N 387.355 3.583 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1 408737800 HLOJEPXJJDQIJL-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)c1 408852992 OXBUOZUMUNUXQM-UKWGHVSLSA-N 375.812 3.576 50 40 GHGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1OC 6407754 BRUSLXBGUAJIFY-UDWIEESQSA-N 389.249 3.786 50 40 GHGB CCn1c(SCC(=O)N/N=C\c2cccc(C)c2)nnc1-c1ccc(C)cc1 30750232 JRJOXIZFGMZTFZ-XKZIYDEJSA-N 393.516 3.824 50 40 GHGB Cc1cc(Cl)ccc1OCc1ccc(C(=O)NNC(=S)NCC(C)C)o1 2795277 UFHPWPGMEGZNHT-UHFFFAOYSA-N 395.912 3.585 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cn1 6630774 CXMKLMDETPBLGS-SRZZPIQSSA-N 396.359 3.538 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccco1 6960024 OCDYYNLDGTXKKY-LPYMAVHISA-N 378.384 3.580 50 40 GHGB COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)cc1O 685532 FJPOAFUJQFMZJJ-SSDVNMTOSA-N 395.484 3.808 50 40 GHGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\C=C/c1ccccc1 8642476 IATXDXCPZMRSHG-KINHMACVSA-N 391.258 3.930 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 409310764 BSHAJGIZDVLDPW-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)o2)c1 408531460 ODCNKDFTKIXNOW-ZMOGYAJESA-N 391.427 3.604 50 40 GHGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)N2C(=N1)SC(C#N)=C2N 408606978 RZMGBYBHDVMJRM-MRXNPFEDSA-N 393.497 3.772 50 40 GHGB COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(Br)cc1 43911179 RMEZVYLGIGTQMU-VXLYETTFSA-N 377.238 3.507 50 40 GHGB CCCOc1cc(OC)ccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 5793605 UCDJQXBCWMPAOG-IBGZPJMESA-N 382.460 3.935 50 40 GHGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccc(C(F)(F)F)c1 12890629 ZYNFDCDYLGRBRN-UHFFFAOYSA-N 386.757 3.507 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)ccc1O 954193 MCNVIGAJXSJTJK-CXUHLZMHSA-N 391.452 3.994 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)[C@H]1c1ccco1 1428551 NUTPHEPSHLNCFA-LJQANCHMSA-N 381.391 3.802 50 40 GHGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCO3)[C@@H](Br)C2=O 102872473 VDMURGWMUKEYRQ-KKXDTOCCSA-N 394.265 3.513 50 40 GHGB O=C(CSc1nc(-c2ccccc2)cs1)NNC(=O)c1ccc(F)cc1 6618547 FBDBIBPTUIYUSK-UHFFFAOYSA-N 387.461 3.503 50 40 GHGB O=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1cc2cc(Cl)ccc2o1 409018895 YBXVEUCMOVZQAQ-XKZIYDEJSA-N 383.835 3.687 50 40 GHGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccccc1 16478274 NWGBPCLASWEUOS-FRQCXROJSA-N 384.361 3.875 50 40 GHGB CCCCc1[nH]nc2c1[C@@H](c1ccc(Br)cc1F)C(C#N)=C(N)O2 8783194 SASMPZMNEYQMPE-AWEZNQCLSA-N 391.244 3.872 50 40 GHGB CCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OC 408926108 XNWMSHXQJZLVRE-YBFXNURJSA-N 377.238 3.620 50 40 GHGB C/C(=N\NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cc(O)ccc1O 13321456 SAFOHEQRABATMI-VULFUBBASA-N 398.422 3.862 50 40 GHGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1F 408568478 JOUGKIHGWAFTEI-RGVLZGJSSA-N 376.478 3.833 50 40 GHGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cn1 4724832 XCDVTKABSWMISW-FBHDLOMBSA-N 384.779 3.976 50 40 GHGB N#C/C(=C/c1ccc(I)cc1)C(=O)Nc1ccccc1F 408819000 ZJOQXCNGQFIFSA-XFXZXTDPSA-N 392.171 3.976 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 408586003 AGBUNOGBZLSREX-IYHCKTHZSA-N 381.863 3.931 50 40 GHGB C=CCNc1nc(N)c(C(=C(C#N)C#N)c2ccc(Br)cc2)s1 4719093 MGOZBTCZLJXBRQ-UHFFFAOYSA-N 386.278 3.935 50 40 GHGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)c1 409035261 RTBGKEIBIGTYLV-HZHRSRAPSA-N 376.412 3.816 50 40 GHGB O=C(COc1ccccc1F)NNC(=O)CC(c1ccccc1)c1ccccc1 8429823 KOKYHUVPMYMFSM-UHFFFAOYSA-N 392.430 3.574 50 40 GHGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCO2 7158213 CJTOGRDQXBTJAF-GLQBXYGBSA-N 391.265 3.780 50 40 GHGB CCOc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1ccc(Cl)cc1 226361351 HASCHHFNASENNT-VMPITWQZSA-N 381.259 3.974 50 40 GHGB O=C(CCc1ccccc1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 12536698 FKPVYNJGIUHUQM-UHFFFAOYSA-N 396.450 3.691 50 40 GHGB CCN(CC)c1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1 3333742 ZHMZIKCBJWXLRW-UHFFFAOYSA-N 375.472 3.690 50 40 GHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCc3ccccc31)[C@@H](Br)C2=O 2172592 BDPMIAFJICJNFN-KYNGSXCRSA-N 376.294 3.735 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(F)c1 408898577 XCRWXBZGWXRDCL-ZVHZXABRSA-N 392.386 3.817 50 40 GHGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(N2CCCC2)cc1 4779948 ARBKRDXXHQJCKO-ZVHZXABRSA-N 375.394 3.998 50 40 GHGB CN(C)c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1Br 408804099 VTWTZWLWTMEUOI-SFQUDFHCSA-N 398.304 3.781 50 40 GHGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 409107994 UCXBBZCMJDCBJV-ZMOGYAJESA-N 391.393 3.614 50 40 GHGB C/C(=N/NC(=O)c1ccn(Cc2ccc(Br)cc2)n1)c1ccccc1 5455309 VWQGMKIGSLXKNX-STZFKDTASA-N 397.276 3.848 50 40 GHGB O=C(N/N=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccnc1 33423944 CAERMDLXTOCNAS-JJFYIABZSA-N 380.335 3.685 50 40 GHGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 101145551 SYCGNQFGNLGFQF-GZTJUZNOSA-N 396.830 3.575 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1sc2c(c1C#N)CCCC2 59333778 LQMBKOXIKFDVLO-YBEGLDIGSA-N 378.501 3.901 50 40 GHGB CCCCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 2280774 AZBFJPQKVBOAKJ-UHFFFAOYSA-N 391.265 3.703 50 40 GHGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(C(N)=O)cc1 408542650 MVEQLISGGRYASY-NDENLUEZSA-N 385.423 3.955 50 40 GHGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 4380388 WOFIIUPMQAOYCV-JJIBRWJFSA-N 397.475 3.520 50 40 GHGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1F 4712097 ZZQVGCGCYGLDNI-SSDVNMTOSA-N 380.335 3.685 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccccc1Cl 409096179 CQHDBYYJKRUAMB-LPYMAVHISA-N 387.867 3.721 50 40 GHGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)N2C(=N1)SC(C#N)=C2N 408606973 RZMGBYBHDVMJRM-INIZCTEOSA-N 393.497 3.772 50 40 GHGB COc1ccc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc1Cl 408770782 AMROXTTXZCDNOE-SSXHNJQXSA-N 377.835 3.556 50 40 GHGB Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(\C#N)C(=O)NC1CC1 7750665 LXABTFWXZSSCDP-MDWZMJQESA-N 375.259 3.732 50 40 GHGB Cc1ccccc1N1C(=O)[C@@H](Cc2ccccc2Cl)S/C1=C(\C#N)C(N)=O 13646936 HSEXCZWMAYAGHB-HDAKKWKLSA-N 397.887 3.560 50 40 GHGB COc1ccc(OCC(=O)N/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 208207344 JEPVWXDBBLBOEL-DNPFKWNUSA-N 395.503 3.946 50 40 GHGB NNC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226340908 VCDRCSRXLKRGQT-ZZXKWVIFSA-N 399.647 3.824 50 40 GHGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(N)=O)cc1 934853 ZVAVDJIVSLWVLK-MNTXUITRSA-N 397.887 3.560 50 40 GHGB COc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(Br)cc1 9204165 JBBMALFCHASCOJ-VXLYETTFSA-N 381.657 3.804 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 59104247 NCTPIVUSOGCTOI-WSDLNYQXSA-N 378.384 3.726 50 40 GHGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C1CCCC2=O 409124855 DDGUWLRVYBIMIO-JOCHJYFZSA-N 385.467 3.996 50 40 GHGB O=C(N/N=C/c1cccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 4499481 MDYHQDCKEPYORD-FBCYGCLPSA-N 375.759 3.509 50 40 GHGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC 5489146 GEWVNWDYQPYIKB-GOSISDBHSA-N 388.427 3.702 50 40 GHGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 20100921 IPQSXDKIVIXKDF-AWQFTUOYSA-N 383.231 3.627 50 40 GHGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)Cc1ccccc1 100522924 ILAPKTYPIHHURS-ZMOGYAJESA-N 377.366 3.769 50 40 GHGB C=CCOC(=O)C1=C(C)NC(SCC)=C(C#N)[C@H]1c1ccc(O)c(OC)c1 20080383 WZRSOEQODKIMCR-GOSISDBHSA-N 386.473 3.579 50 40 GHGB CCCC[C@@H](Br)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(F)cc12 2317555 GNHRASBAGXSQOS-LLVKDONJSA-N 385.233 3.986 50 40 GHGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(CC)cc2)nc2ccccn2c1=O 2412613 YUHNINFZLHCMGV-DTQAZKPQSA-N 389.411 3.519 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 5130152 DMCPWWWORWQULV-KRWDZBQOSA-N 376.391 3.833 50 40 GHGB CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 5095389 IWONBCMDBUFMQK-LBPRGKRZSA-N 391.244 3.827 50 40 GHGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409363298 VLBNUMFXFMKYTB-SSDVNMTOSA-N 382.351 3.556 50 40 GHGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 408796255 OOWHZIWZALEZLY-OQLLNIDSSA-N 384.819 3.746 50 40 GHGB O=S(=O)(NCc1ccccc1OC(F)F)c1ccc(CCCl)cc1 32935910 YNRPAORNEWAJDD-UHFFFAOYSA-N 375.824 3.548 50 40 GHGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccc(OC)cc3)o2)c1 100278573 LMHDTQACFQDPRW-XKZIYDEJSA-N 378.384 3.506 50 40 GHGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OC)c2)cc1OC 409330508 AVAXORKCBNRPLK-NHDPSOOVSA-N 392.839 3.528 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc3ccccc3c2)cc1OC 4568067 QRXXQDASOKBUFA-BUVRLJJBSA-N 377.444 3.809 50 40 GHGB C/C(Cc1ccccc1)=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 4808247 DRTYTEGWCMQQGZ-DIBXZPPDSA-N 399.494 3.670 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 408725721 IYWIWXKMDAFPFR-CIAFOILYSA-N 379.372 3.936 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)Nc1cccc2nsnc12 3213307 OXOVQOKEKQREMV-LZYBPNLTSA-N 376.239 3.609 50 40 GHGB O=C(c1ccc(OC(F)(F)F)cc1)[C@@H](Br)CBr 575358757 DDJSCWHIPFFJQF-QMMMGPOBSA-N 375.966 3.926 50 40 GHGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)N2C(=N1)SC(C#N)=C2N 4502847 RKRXYKWVPCBFAJ-HNNXBMFYSA-N 388.880 3.676 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)cc1 4599136 RIBHLFBMVVYNMJ-FYJGNVAPSA-N 380.425 3.740 50 40 GHGB COc1cc(/C=N/NC(N)=O)ccc1OCCOc1cc(C)ccc1C(C)C 4511376 WHCIGQUNHADYGV-YDZHTSKRSA-N 385.464 3.587 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 409000464 YHYOBOLNNKWVIM-LSHDLFTRSA-N 383.791 3.644 50 40 GHGB CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)N1C=CC=CC1=C(C#N)C#N 257173692 VDKSCUTZEGSSHY-WOJGMQOQSA-N 383.354 3.879 50 40 GHGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(OC)cc1 3166475 KDACKMSVEOFFOR-BUVRLJJBSA-N 390.439 3.942 50 40 GHGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCO2 7158210 CJTOGRDQXBTJAF-RSKNOSGTSA-N 391.265 3.780 50 40 GHGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](Cc1ccccc1)C(C#N)=C(N)O2 1471602 STNZHEJLPBTRDO-LJQANCHMSA-N 383.451 3.618 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 9357559 MTEMNEYTUAGYAO-KRWDZBQOSA-N 376.391 3.833 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(OC)c2)cc1 408745403 RNZJRMQNYCKVFX-VBKFSLOCSA-N 377.400 3.542 50 40 GHGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)O 408581510 XLWCFLDHWXFCMU-RIYZIHGNSA-N 388.217 3.985 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)o2)cc1 36224141 QFWJAEOSFLEGKO-OYKKKHCWSA-N 394.402 3.955 50 40 GHGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3cc(OC)c(OC)cc3OC)c2c1 40139902 LEHPPAWXSMSZJL-AUWJEWJLSA-N 392.411 3.992 50 40 GHGB O=C(COc1ccccc1Br)N/N=C/c1c(O)ccc2ccccc12 2771449 HYOHSZFYLNUIMD-SRZZPIQSSA-N 399.244 3.837 50 40 GHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1 59105147 SWZVQJBYOIODPK-LGMDPLHJSA-N 376.460 3.873 50 40 GHGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Br)cn1 3179022 JOHARBCRVOLBBD-YRNVUSSQSA-N 394.175 3.991 50 40 GHGB N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 113481490 RVKUSDHRCBSMHE-QGZVFWFLSA-N 392.415 3.562 50 40 GHGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(N)=O 408886214 FIXSVBDUXJCFRW-AWNIVKPZSA-N 375.197 3.559 50 40 GHGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(Cl)c2)cc1OC 409315837 OSJRTCPXCHFDNN-UKWGHVSLSA-N 383.231 3.783 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(C)=O 408757155 XPUYBGITUTWHIJ-OEAKJJBVSA-N 376.412 3.928 50 40 GHGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccccc1 33633466 YBQSKMFFZONNHT-HAHDFKILSA-N 389.411 3.867 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@@H]1c1ccccc1 6496149 BDJOTBVDXUKDIP-CQSZACIVSA-N 381.432 3.536 50 40 GHGB C[C@@H](Oc1cccc(F)c1)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24763100 SYKLWLWJRYQGKI-SECBINFHSA-N 387.289 3.663 50 40 GHGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=N)COc1ccc(Cl)cc1 1385327 ZUXSJGJWQAYIBK-UHFFFAOYSA-N 384.823 3.594 50 40 GHGB Cc1cc(C(=O)N/N=C\c2ccccc2O)c2cc(Br)ccc2n1 58984249 MTVVJOBPGQXHML-JMIUGGIZSA-N 384.233 3.775 50 40 GHGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914808 AVYVNHOYLZPECG-AWQFTUOYSA-N 382.247 3.618 50 40 GHGB C[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 36118578 MMAQDWVGUZTFAV-HURAESQDSA-N 397.218 3.558 50 40 GHGB O=C(Cl)CCCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 2537755 YWUKDIMRJWKQEN-UHFFFAOYSA-N 398.815 3.543 50 40 GHGB COC(=O)[C@@H](Cl)[C@@H](Cl)c1cccc([C@@H](Cl)[C@H](Cl)C(=O)OC)c1 68563449 MXRXXKSKCXFTAW-USZNOCQGSA-N 388.074 3.807 50 40 GHGB COC(=O)c1ccccc1N/C(SC)=C(/C#N)C(=O)Nc1ccc(C)cc1 67172694 LHMUMOBBWCJXEM-KNTRCKAVSA-N 381.457 3.930 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C\c1cccn1-c1ccc(F)cc1 33160885 YEHIBLOJSIOASP-QFEZKATASA-N 388.402 3.694 50 40 GHGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSc1ccc(Cl)cc1 408996193 OSWIAFUNGVRIFU-VXLYETTFSA-N 392.868 3.557 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1O 33364311 ZUJQAGYGAXCXEX-JMIUGGIZSA-N 385.763 3.978 50 40 GHGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cc2cc(Br)ccc2o1 83309252 AYGXXHQEFOVWQW-NVMNQCDNSA-N 388.177 3.867 50 40 GHGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1ccc(C)cc1 4167596 DKOMLEONOIPBOI-CNANTTMZSA-N 394.707 3.825 50 40 GHGB CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 32578386 PIQDYLVOIVDUFX-LSFURLLWSA-N 399.249 3.933 50 40 GHGB COc1ccc(-c2ccc(/C=N/NC(=O)Cc3cccs3)o2)c([N+](=O)[O-])c1 2656942 IWWZAOBOKVWVJV-YBFXNURJSA-N 385.401 3.618 50 40 GHGB COc1cc(NC(=O)C/C(C)=N/NC(=O)OC(C)(C)C)c(OC)cc1Cl 18173440 FAAXZDBDEMTCIJ-KEBDBYFISA-N 385.848 3.586 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 4209606 NBPDSFNKPQUKAZ-XIEYBQDHSA-N 386.451 3.638 50 40 GHGB O=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 4600498 LYUJMWAQRWTFKZ-UHFFFAOYSA-N 376.256 3.799 50 40 GHGB CCOc1cc([C@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)ccc1O 4784904 GURRMIFHBWRYQQ-IBGZPJMESA-N 388.452 3.929 50 40 GHGB CC1=NN(c2ccccc2)C(=O)/C1=C\NC(=O)Nc1ccc(SC#N)cc1 16160657 HKIUBAINBIPJPF-BOPFTXTBSA-N 377.429 3.688 50 40 GHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 6329211 NFUSOBKIMWMROM-REZTVBANSA-N 383.147 3.574 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccc(Cl)cc1 846346 ADANKMTYMZEWNC-INIZCTEOSA-N 392.802 3.677 50 40 GHGB CCN(CC)CCOc1ccc(/C(C#N)=C\c2ccc(OCCO)cc2)cc1 4758148 CGSKOYMFRJAPLC-FXBPSFAMSA-N 380.488 3.842 50 40 GHGB C=C(C)C(=O)Nc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 5697212 IAPJDIHQDWDAKR-HYARGMPZSA-N 380.404 3.572 50 40 GHGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)cc(Br)c1O 409252208 RGGRJVINSLUALX-UWVJOHFNSA-N 385.620 3.640 50 40 GHGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1 409128513 FHFFJLITVFVLJL-BUVRLJJBSA-N 377.419 3.579 50 40 GHGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1 5408395 KPSQNEAHAHLMMD-NHCUHLMSSA-N 385.515 3.729 50 40 GHGB COc1ccc(S(=O)(=O)/C(C#N)=C/N2CCC(Cc3ccccc3)CC2)cc1 32021111 CGTKWMWGVYHEFO-OQKWZONESA-N 396.512 3.789 50 40 GHGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)c1 7932024 NILPPZHCCZLYBD-SSDVNMTOSA-N 394.258 3.871 50 40 GHGB CC1(C)[C@@H]2CC[C@](I)(C2)[C@@H]1I 104132331 OQVFUAQDBDHWBC-BHNWBGBOSA-N 376.019 3.804 50 40 GHGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)c1ccc(Cl)cc1Cl 17136168 BQEASQOZDMDACH-FBHDLOMBSA-N 389.242 3.957 50 40 GHGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2C)N1C(=O)CCl 1083103498 KCUNPNMBYHXANM-RXVVDRJESA-N 396.874 3.731 50 40 GHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(Br)cc1 716838 OKNQPDQZVUJUJC-GIJQJNRQSA-N 390.262 3.833 50 40 GHGB Cc1ccc(C(=O)N[C@@H](C(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1 102580388 JKDISBSBSWWQGO-QGZVFWFLSA-N 386.300 3.637 50 40 GHGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)ccc2O)cc1 2670525 LCWUGKPPXNVUKL-SFQUDFHCSA-N 394.427 3.903 50 40 GHGB C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 652424 HKIVHGLOYHDWGN-WQBZTOPYSA-N 389.377 3.831 50 40 GHGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2=O)cc1 6962926 XQPOTOGBGHWQDC-ANRKENSESA-N 393.487 3.712 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1-n1cccc1 12534171 JEAVJXOZVXLEQO-UHFFFAOYSA-N 398.260 3.623 50 40 GHGB CC1=NN(c2ccccc2)C(=O)/C1=C(\NNC(=O)c1ccccc1)c1ccccc1 100510011 KUBMEEFEACMVBS-DQRAZIAOSA-N 396.450 3.755 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 2258392 HDFLGWTZVHHZBR-LFVJCYFKSA-N 386.455 3.769 50 40 GHGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Br 4721141 FUSGVQOVKQNTMR-CAOOACKPSA-N 382.601 3.775 50 40 GHGB O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 16956864 UKVPZAGJPSJWJQ-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)CNc1ccc(C)c(C)c1 409243925 ZAYJBIPYLBCHJZ-MFKUBSTISA-N 394.519 3.865 50 40 GHGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)c1cccs1 584907182 CCUPIUMDILQYMB-IZZDOVSWSA-N 392.230 3.764 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 6295844 UEPMLARUILYRPP-HZHRSRAPSA-N 389.411 3.861 50 40 GHGB CCCN1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2ccccc21 101458839 JZBCBRHGSZMCHW-ROMGYVFFSA-N 386.455 3.529 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3nc2C)c(O)c1 685580 ZAJZSPOTCGSKPT-OEAKJJBVSA-N 376.460 3.859 50 40 GHGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(CN2CCOCC2)cc1 58928005 JJERVUYYBGNTBM-WSDLNYQXSA-N 392.286 3.590 50 40 GHGB O=C1C[C@@]2(C[C@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)C(=O)O1 103905070 MCPBDEMKBSKYSO-HRDYMLBCSA-N 384.857 3.682 50 40 GHGB CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc2ncccc2c1 5051507 MZXLWLUMNISMSU-BUVRLJJBSA-N 384.480 3.770 50 40 GHGB C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 5221706 SCPGWZJAZXVFHJ-HZHRSRAPSA-N 382.460 3.675 50 40 GHGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(O)cc1 408719596 GYUFOOZDZXVTPQ-GIJQJNRQSA-N 379.279 3.538 50 40 GHGB CCc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1 409138463 CCEDJHAMYNZMAT-HXUWFJFHSA-N 379.504 3.632 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C 408874917 GHAWBUXCLYJONG-SFVBOFDGSA-N 389.293 3.738 50 40 GHGB Cc1ccc(S(=O)(=O)N/N=C2\C[C@H]3CC[C@]2(C)[C@@]3(C)CBr)cc1 6845740 LNGUCYLTDFRBSZ-NZAOFXFGSA-N 399.354 3.851 50 40 GHGB COc1ccc(CN(c2ccccc2)S(=O)(=O)[C@@H](C)Cl)cc1[N+](=O)[O-] 1083953 QRYVKNXOQWDKMQ-LBPRGKRZSA-N 384.841 3.525 50 40 GHGB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)/C1=C(\O)C=O 118914188 YBCQMVHDVBRVFB-NIQJDLCESA-N 390.907 3.884 50 40 GHGB in-vitro Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccccc3)c2)cc1 409263344 MFZVVPGMCMWWIQ-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C\c1ccc([N+](=O)[O-])cc1 33340693 HMCBCQPLCJLVAK-HAHDFKILSA-N 390.443 3.969 50 40 GHGB COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)c1 5720952 DXNXMFXBTCKFOJ-FYJGNVAPSA-N 379.441 3.773 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc2c(c1)OCO2 208398535 BUBVAXBOQGEOLR-MFOYZWKCSA-N 389.411 3.639 50 40 GHGB O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ncccn1 1627391 AVDBLCSXQJKPER-UHFFFAOYSA-N 381.307 3.722 50 40 GHGB CCOC(=O)c1c(NC(=O)NCC(Cl)Cl)sc2c1CC(C)(C)OC2 1252729 UMIZOHVMOWJGSB-UHFFFAOYSA-N 395.308 3.701 50 40 GHGB CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 58442123 FRPNQODHJVOWFS-IZZDOVSWSA-N 392.843 3.854 50 40 GHGB COc1cc(C(=O)N/N=C2/C(O)=Nc3ccc(C(C)C)cc32)cc(OC)c1OC 6459504 HVHVGLMRGCQFPZ-UHFFFAOYSA-N 397.431 3.572 50 40 GHGB O=C(COc1ccc(/C=N/NC(=O)c2ccco2)cc1)Nc1ccc(Cl)cc1 408758329 IXIKIVSXYKLDRK-WSDLNYQXSA-N 397.818 3.714 50 40 GHGB CCO[Si](OCC)(OCC)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 169806560 FLSOODXIZXZNMF-UHFFFAOYSA-N 394.331 3.719 50 40 GHGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408801733 BGPMWPDWMJQCJU-GXDHUFHOSA-N 397.228 3.712 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1OC 3089383 PMNHMMOGFHYKAQ-LPYMAVHISA-N 384.501 3.952 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(OC)c1 4507529 LWZFAGTYQCVHMS-ZICWZVMQSA-N 378.881 3.988 50 40 GHGB CC(C)(C)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 6323418 WOBHLBWMTDDHSH-ANDSAHIGSA-N 381.451 3.626 50 40 GHGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 16408481 XRBCHROJHZHOMQ-IZZDOVSWSA-N 377.278 3.865 50 40 GHGB O=C(N/N=C(\CC(=O)c1cccs1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 16976800 NFHCIUSAMJKUAF-CPNJWEJPSA-N 385.323 3.577 50 40 GHGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1cccc(I)c1 408767669 ZQUMWFRTPHTHMI-KPKJPENVSA-N 390.180 3.542 50 40 GHGB CCOc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)cc1OC 818290 LWNGGONFUWRODU-IBGZPJMESA-N 395.484 3.702 50 40 GHGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Cl)ccc3Cl)[C@@H]2C1 1248879 QVQWIHDOTPIENF-AEFFLSMTSA-N 398.297 3.739 50 40 GHGB COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)c1 5409120 ONQGOUOILZPRNR-GOSISDBHSA-N 388.427 3.621 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)cc1 44835443 PYNFIHBFYXXIKI-OEAKJJBVSA-N 392.411 3.652 50 40 GHGB N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(N)=O 408864642 YVFKGJYCECWBJG-ZROIWOOFSA-N 380.245 3.844 50 40 GHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl 408922838 GSBNXTGLPQWAEN-JXMROGBWSA-N 375.743 3.942 50 40 GHGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(Cl)cc1 409135300 UGKRTQWRLVFAAE-PTNGSMBKSA-N 385.826 3.861 50 40 GHGB N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)NCCCc1ccccc1 409252250 RLIORGHXQBZUGS-WJDWOHSUSA-N 385.261 3.811 50 40 GHGB CC(=O)n1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)c2ccccc21 868240 IHYLVGWSBCONNC-UFFVCSGVSA-N 392.440 3.685 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4Cl)ncnc32)c(C)c1 7393264 BJGYUQGEPHOEPL-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(Br)c1 8018462 CKCHFZGKIPSDKB-HNNXBMFYSA-N 394.228 3.509 50 40 GHGB C[C@]1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CCc2ccccc2C1 72302665 UJCMDVMYWMBUHF-FQEVSTJZSA-N 388.920 3.775 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(OCC)c2)cc1 408745419 RYSQZVAMQQYDNQ-LGMDPLHJSA-N 391.427 3.932 50 40 GHGB Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C1C#N 9013380 BBPGBMIRVYMHJJ-KRWDZBQOSA-N 395.459 3.845 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ncccn3)c2C)cc1C 28217099 KXZKOUIBTLMIPZ-WYMPLXKRSA-N 393.516 3.743 50 40 GHGB COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1Br 101730708 ZXPQSQGBOZHBBK-YCRREMRBSA-N 378.178 3.985 50 40 GHGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc(O)cc1 408719472 GCUMCFLMQKCHGT-XDHOZWIPSA-N 393.306 3.928 50 40 GHGB COc1ccccc1C(=O)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 408958551 YYAZASPOWQBBIH-MTJSOVHGSA-N 395.371 3.636 50 40 GHGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1 58823047 FYIPLXBRJHTLRK-PXLXIMEGSA-N 394.452 3.527 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc([N+](=O)[O-])c1 1877938 FENMZZJBQJKTTF-YBFXNURJSA-N 380.316 3.527 50 40 GHGB Cc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 2441320 IEXKIUMZKGMURX-LJQANCHMSA-N 389.480 3.793 50 40 GHGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCCCCCC1)S(C)(=O)=O 20212449 TUWQRPQTZGROCS-UHFFFAOYSA-N 399.944 3.631 50 40 GHGB Cn1cnnc1SCc1ccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)cc1 5164278 ZWCIUCZYFRHKFM-UHFFFAOYSA-N 395.532 3.649 50 40 GHGB CC/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccccc1 4871555 JYJJGAFGBSTOBM-HEHNFIMWSA-N 379.489 3.505 50 40 GHGB Cc1ccc2nc(O)c(/C=N/NC(=O)c3ccc(Br)cc3)cc2c1 9347673 WCBJCSUFBDJZKY-KEBDBYFISA-N 384.233 3.775 50 40 GHGB O=[P@](O)(CCP(c1ccccc1)c1ccccc1)CN1CCCCC1 97951616 VEEJSGIIOXETGV-UHFFFAOYSA-N 375.389 3.833 50 40 GHGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1ccc(Br)o1 719664 RSYAWOFWHQVIKL-WBFHQNOSSA-N 385.645 3.922 50 40 GHGB C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 2209353 APYUUGQYPYGBLE-XXADUYMVSA-N 397.887 3.860 50 40 GHGB O=C(Cc1cccs1)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4714928 HCTVUJJDIGDQGB-UHFFFAOYSA-N 396.312 3.789 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c1 6145526 FUTDEHJMUCZOEC-YDZHTSKRSA-N 375.384 3.599 50 40 GHGB C/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(-n2ccnc2)cc1 18194549 TUWSURXGUJBGDB-IWIPYMOSSA-N 385.427 3.990 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)c(O)c1 20248511 GOETZGYMOQSYDF-SRZZPIQSSA-N 390.892 3.994 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3OC)c2C)cc1 408590698 QHRDCWLGTVNUPR-OEAKJJBVSA-N 377.444 3.875 50 40 GHGB CC(C)(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 409004814 DTWJLIUTJMLFLS-KOEQRZSOSA-N 391.515 3.987 50 40 GHGB CCOc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1O 1092215 GKKHKXWSXAAOGR-FVQJWRHTSA-N 377.444 3.895 50 40 GHGB C[C@@H]1Cc2cc(-c3csc(NC(=O)CCl)n3)ccc2N1C(=O)C1CC1 1366208 UOMNSPYJPRMUGL-SNVBAGLBSA-N 375.881 3.675 50 40 GHGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1F 2322680 OLYCXFMFYFJAMD-KRWDZBQOSA-N 382.366 3.747 50 40 GHGB O=C(CCc1ccccc1)NNc1ncnc2c1cnn2-c1ccc(Cl)cc1 4355202 WRGWFEDVUUSIRJ-UHFFFAOYSA-N 392.850 3.545 50 40 GHGB O=C(N/N=C/c1cc(O)ccc1Br)c1cccc(Br)c1 9668328 WEGNNTLMIAMVNC-CAOOACKPSA-N 398.054 3.681 50 40 GHGB Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1Cl 20213043 JVSWKUCDDRJWSS-UHFFFAOYSA-N 399.944 3.631 50 40 GHGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)COc2ccccc2Cl)cc1 408846120 OWVVRSBXKIPVIR-UCQKPKSFSA-N 396.878 3.726 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2O)o1)c1cccc(Cl)c1 408723581 XDATWIIIESVBKD-KEBDBYFISA-N 385.763 3.978 50 40 GHGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OC2CSC2)cc1 4502724 MRTCXPOFCYZUEW-UGVMZYNRSA-N 386.542 3.953 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1 4685299 ADRRFCIYBUQAEW-DJKKODMXSA-N 397.656 3.640 50 40 GHGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2c(Cl)cccc2Cl)c1C 7765261 TVVMPYDNCCLVBC-CYBMUJFWSA-N 395.286 3.768 50 40 GHGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCC)c(OC)c1 409311083 FBQVBHNUHSENCG-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB Cc1ccc(NC(=O)N(CCCl)N=O)c(NC(=O)N(CCCl)N=O)c1 5031171 JQAZOZPLYWHEQE-UHFFFAOYSA-N 391.215 3.503 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2sccc2C)nnc1-c1ccc(C)cc1 1243834 SKDITFYANSXTEO-RGVLZGJSSA-N 399.545 3.886 50 40 GHGB CCOc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)ccc1O 871072 FTAMXTBDCKAQGB-WSDLNYQXSA-N 395.484 3.890 50 40 GHGB C/C(=N\NC(=O)COc1c(C)cccc1C)c1ccc(Br)cc1 1437679 RIPMUXFSHGOBHY-XSFVSMFZSA-N 375.266 3.985 50 40 GHGB COC1(OC)OC(c2ccccc2)=C(C#N)[C@@H](c2ccccc2)C1(OC)OC 4568198 DFJCTPYZXBGXNL-LJQANCHMSA-N 381.428 3.671 50 40 GHGB C[C@H](Br)[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 4826175 KOONAXUBBZQRIW-DSVIEGASSA-N 375.310 3.762 50 40 GHGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1OC(F)F 7167681 QTOWIBZSEAMHFW-XNTDXEJSSA-N 379.384 3.943 50 40 GHGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl 58912631 NPUBBKWLIUJOJU-YDZHTSKRSA-N 394.862 3.836 50 40 GHGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCc1ccccc1)[C@H](Br)C2=O 100834623 NTRRARPDJGNCRG-NIKGAXFTSA-N 378.310 3.504 50 40 GHGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)c1 408996441 DUWFIBONGFUKTD-OYKKKHCWSA-N 389.455 3.953 50 40 GHGB O=C(CCCCl)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 1852913 WNYHKTBFOSWZFG-UHFFFAOYSA-N 391.924 3.668 50 40 GHGB C[C@@H]1CCCCC1=NNC(=O)CCC(=O)Nc1ccccc1Br 5696424 XOBCLYPJKXSZBA-GFCCVEGCSA-N 380.286 3.850 50 40 GHGB N#C/C(=C/c1ccccc1)C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 6450633 XUSXLFKEZSBPFD-JWGURIENSA-N 388.467 3.618 50 40 GHGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 208440316 SQFIWPPKKAMATQ-LPYMAVHISA-N 378.432 3.990 50 40 GHGB CC(C)C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1 408718434 NTYISHKHDSLWIL-RGVLZGJSSA-N 389.249 3.774 50 40 GHGB CCCCOc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1OCC 2759369 TZJGMTONSGRCNH-LPYMAVHISA-N 384.432 3.757 50 40 GHGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 7649919 RVYUYKCAZBPVBB-IAGOWNOFSA-N 392.455 3.530 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59302705 UWGRZVVSSWFNDS-YBFXNURJSA-N 376.254 3.715 50 40 GHGB O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(CSc2ccc(Cl)cc2)cc1 12784876 QURCACBAEWDAOQ-KRWDZBQOSA-N 390.892 3.572 50 40 GHGB Cc1cccc(OCCCOc2ccc(Cl)cc2/C=N/NC(N)=O)c1C 4598784 CIXHVEWATYLSPR-WSDLNYQXSA-N 375.856 3.807 50 40 GHGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)c1 408971165 NHBULYKAJFQDTN-ZVHZXABRSA-N 394.519 3.610 50 40 GHGB O=C(CCl)Nc1c(-c2ccccc2)c(-c2ccco2)nn1C(=O)CCl 100226729 DSAARVQDTUCZQD-UHFFFAOYSA-N 378.215 3.866 50 40 GHGB Cc1cc(C)nc(NNC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)n1 30625320 KTAJPXBLZLKSOF-FQEVSTJZSA-N 386.459 3.544 50 40 GHGB Cc1c(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc2n1C 6328792 LEMNUQZWDJAEEP-KEBDBYFISA-N 386.249 3.719 50 40 GHGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3C)o2)c([N+](=O)[O-])c1 9201038 ZQMCMOAIHBDLBP-CIAFOILYSA-N 379.372 3.936 50 40 GHGB CCC[C@@H](C(=O)NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccccc1 9592847 NKTUIZNUJOOFAR-GOEBONIOSA-N 396.516 3.828 50 40 GHGB O=C(CCc1ccccc1)NNc1ncnc2c1cnn2-c1cccc(Cl)c1 17178765 WJXGJABXWCVQLX-UHFFFAOYSA-N 392.850 3.545 50 40 GHGB COc1ccc(-n2cccc2/C=N\NC(=O)COc2ccccc2Cl)cc1 408850371 MIKYLKPPNAOCRI-XKZIYDEJSA-N 383.835 3.668 50 40 GHGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(F)cc1 408981711 WGGKUHSRCWZRJA-HUXSYLCKSA-N 389.430 3.837 50 40 GHGB Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)c1 409123780 DTRPLKHNKBGJLD-OAHLLOKOSA-N 381.457 3.607 50 40 GHGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1 409206900 QYGOBMAFIHTBMS-PVPASAESSA-N 394.434 3.895 50 40 GHGB CCOC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(OCC)c1 409217689 RMDHQWDSZDGEQR-NTEUORMPSA-N 383.360 3.651 50 40 GHGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 672110 PYNLNRNSHPLCCV-AWQFTUOYSA-N 380.231 3.811 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1[N+](=O)[O-] 59473140 WPWOKTVDHXDURR-VSMYLPJWSA-N 393.852 3.888 50 40 GHGB COC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 2417255 ZNRFPFKBJPCPET-JLHYYAGUSA-N 395.802 3.529 50 40 GHGB N#CSc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(Br)c1 12809090 CBGHFUGZERKHEI-WDEREUQCSA-N 381.251 3.628 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)cc1 9014472 IXPOIVWXNLIXPT-CQSZACIVSA-N 383.498 3.767 50 40 GHGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1O 38534914 ZBDCPSFBJOHASW-LPYMAVHISA-N 391.383 3.643 50 40 GHGB O=C(COc1cccc2ccccc12)N/N=C\c1cc([N+](=O)[O-])ccc1Cl 33773130 CMNBYSQYDYNDQR-NHDPSOOVSA-N 383.791 3.931 50 40 GHGB CO[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 263604359 OOXMKLJEENKKJP-ZQDZILKHSA-N 380.706 3.649 50 40 GHGB NNC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 226329352 UFFGCOVWTMPJSA-UHFFFAOYSA-N 390.064 3.938 50 40 GHGB Cc1cccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Cl)cc3)C2=O)c1 1790279 MHQCUJFKSPYEFB-XUMLYMLNSA-N 397.887 3.560 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC)cc2c1 409184521 LPXUJBGDOVGQEP-JAIQZWGSSA-N 383.360 3.512 50 40 GHGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc21 223480800 CKYWGNCGNTUIJI-UNOMPAQXSA-N 379.504 3.863 50 40 GHGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151887 OVTZMHQCDPRDPQ-MDWZMJQESA-N 378.413 3.952 50 40 GHGB NC(=S)c1ncc(/N=C/c2ccc(N(CCCl)CCCl)cc2)s1 1730850 QSERHVKRDMYTDT-DJKKODMXSA-N 387.361 3.812 50 40 GHGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccccc1Br 3572239 CHEKTZDOKBDAEH-CAOOACKPSA-N 398.054 3.681 50 40 GHGB O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Cl)cc1 826160 STLSOXQYCUOABR-LSHDLFTRSA-N 383.757 3.838 50 40 GHGB CC(=O)O[C@@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br 1628447 KTWIGALCELBUBD-PWCHPLFNSA-N 380.032 3.565 50 40 GHGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1cc(Cl)ccc1O 5288912 IHYJOFVOWKARJX-UFFVCSGVSA-N 380.231 3.834 50 40 GHGB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C(\C#N)c1nc2ccccc2s1 8055139 PEBDNFNWSUQSIC-HNRFISLBSA-N 398.513 3.533 50 40 GHGB O=C(NNc1ccnc2cc(Cl)ccc12)c1cncc(Br)c1 14069261 WMWUSOLPOGIHHU-UHFFFAOYSA-N 377.629 3.803 50 40 GHGB COc1ccc(CSCC(=O)N/N=C/c2ccccc2Br)cc1 58915577 GASIRYPQCVIXCY-VXLYETTFSA-N 393.306 3.841 50 40 GHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408790622 QICULAHTSZXWCJ-LFIBNONCSA-N 391.383 3.551 50 40 GHGB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2556700 UFQPOFZGPUCSGU-SFHVURJKSA-N 386.404 3.985 50 40 GHGB CCCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 6651078 FOXKTKVNYVUREF-ZZQPOVDQSA-N 397.450 3.508 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 104769776 WADCRGMMJRZRAM-IOLGKOKVSA-N 396.487 3.573 50 40 GHGB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)/C(C#N)=C1/Sc2ccccc2N1C 9322547 FOIHOWSTMHAHOB-XMHGGMMESA-N 380.429 3.821 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)cc1 60694152 CLZCXHWLKQCVBK-SAPNQHFASA-N 393.443 3.992 50 40 GHGB N#C[C@H](C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccccc1 409196967 YLAXBKCMQGHIDS-RSFOSLOZSA-N 381.233 3.688 50 40 GHGB CC(=O)N(c1nc(/C=C(/C#N)C(=O)OC(C)C)cs1)c1ccc(F)cc1F 48236095 RZCCLORUDLDOEZ-SDQBBNPISA-N 391.399 3.964 50 40 GHGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccccc1 44998306 FIQNOJBAGLVTLO-UHFFFAOYSA-N 393.830 3.667 50 40 GHGB COc1cc(C(=O)NNC(=O)NCc2ccc(C)cc2)ccc1OCCC(C)C 12751371 WCUVUZDAFYTWBW-UHFFFAOYSA-N 399.491 3.573 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)cc1 4106971 PUIVOQMKCOXPGL-DHRITJCHSA-N 390.418 3.877 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 408964363 GKQRRWKMJGQAOT-CIAFOILYSA-N 397.387 3.902 50 40 GHGB COc1cc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)ccc1O 6746273 IKJDLTQLRCWUAJ-INIZCTEOSA-N 393.468 3.620 50 40 GHGB COc1cc(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1O 408814999 SSRRAZYAHKFHCT-MYJSTESFSA-N 393.281 3.765 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 408746081 XDPQWWCDJPBSDW-GHXNOFRVSA-N 387.779 3.898 50 40 GHGB CCOC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1ccc(F)cc1 32624765 KGKQOGMSHJUKQJ-UHFFFAOYSA-N 383.379 3.723 50 40 GHGB Cn1cccc1CC(=O)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 71335823 PXLPREJLOPQHIZ-FMCGGJTJSA-N 375.350 3.997 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(C)o1 5226360 FGZWYIZXSPKGSD-UHFFFAOYSA-N 386.411 3.581 50 40 GHGB COc1cc(Br)ccc1OCC(=O)N/N=C(C)/C=C/c1ccco1 15134213 AGUXFMURNMHZNE-OYLIBOFWSA-N 393.237 3.635 50 40 GHGB CCC[C@H](Br)C(=O)Nc1nc2ccc(C(=O)OCC)cc2s1 20132751 BBUJDVOANMOHRH-JTQLQIEISA-N 385.283 3.975 50 40 GHGB CC(C)Sc1nc(NNC(=O)C2CC2)c2c3c(sc2n1)COC(C)(C)C3 2345004 YLDBDTMYOHFREV-UHFFFAOYSA-N 392.550 3.896 50 40 GHGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1OC 20033330 LHTPANQVLPPLPB-GOSISDBHSA-N 388.427 3.621 50 40 GHGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc(C)c2O)cc1 30821993 BAXACFIEQYGPKJ-GMDDEGIZSA-N 385.420 3.651 50 40 GHGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@H]1c1ccccc1Cl 33775843 PJQHQIKZSCLDQQ-IBZMOEQTSA-N 381.863 3.973 50 40 GHGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408540723 BDYWXSWKEXZCQO-SSZFMOIBSA-N 387.395 3.730 50 40 GHGB COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1ccccc1 7009133 YPZYFWIDMJCEGT-MFKUBSTISA-N 389.455 3.836 50 40 GHGB COc1cc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)ccc1OC(C)C 9110722 JTSDJRNJPZCHSM-LPYMAVHISA-N 378.432 3.636 50 40 GHGB CCOC(=O)/C(C#N)=C\c1ccc(OCCOc2ccc(C)cc2)c(OC)c1 15011825 WPMFYTRGPYMSTE-AQTBWJFISA-N 381.428 3.932 50 40 GHGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)N2NC=C(C#N)C2=N1 9531408 AZQKIEAFODESJJ-GOSISDBHSA-N 375.457 3.650 50 40 GHGB C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 16790745 FITKODFOXZTUQH-LGMDPLHJSA-N 399.410 3.657 50 40 GHGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 408589663 MNTUQNQXRPUNSS-CAOOACKPSA-N 382.601 3.775 50 40 GHGB O=C(O)c1cccc(-n2cccc2/C=N\NC(=O)c2cccc(-n3cccc3)c2)c1 409103920 HRJCZRXRPHOAKZ-JLPGSUDCSA-N 398.422 3.730 50 40 GHGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Br)cc1 4551483 RVYJQAJLMYHRHH-WOJGMQOQSA-N 376.210 3.820 50 40 GHGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 1786103 PDOYSXKEGCSFJY-LFIBNONCSA-N 396.830 3.777 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c2ccccc12 33661617 KTVAVZUUJZQHBL-OEAKJJBVSA-N 375.428 3.961 50 40 GHGB CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(CCl)nnc23)cc1 3888215 OMBLXCLNUVOKLD-UHFFFAOYSA-N 389.242 3.824 50 40 GHGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 4682210 UOMQCPFSDUMBLR-ZVHZXABRSA-N 390.439 3.934 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)OC)c2ccccc12 4711220 JYFTUOLMZJVRIL-SFQUDFHCSA-N 387.439 3.922 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1 4735220 ZHAZRTRJDRFWFL-VCHYOVAHSA-N 396.082 3.904 50 40 GHGB CC[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 12580004 YRYCMCNIGOJOAU-HGBKYHTQSA-N 395.459 3.736 50 40 GHGB CS(=O)(=O)c1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1 14824236 QHHITGNTJOOPJU-UHFFFAOYSA-N 393.679 3.807 50 40 GHGB O=C(NNc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 36226648 YLDNXLBDAITDHZ-OAHLLOKOSA-N 379.847 3.989 50 40 GHGB O=C(NC[C@H]1SS[C@H](CNC(=O)c2ccccc2)S1)c1ccccc1 41097457 MBYBEJZIXXFIIV-HZPDHXFCSA-N 390.555 3.627 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1 408719793 SFZXDRWDFGXYOO-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB COc1cc(NC=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1 2049463226 UWJUNFUUAPDMMF-UHFFFAOYSA-N 378.837 3.608 50 40 GHGB CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1Br 107534748 QKGPQSMFDGCTED-LCYFTJDESA-N 386.249 3.766 50 40 GHGB C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc2ccccc2c1 13847823 SCBXMSPCHLXAGJ-PXLXIMEGSA-N 377.400 3.976 50 40 GHGB C[C@@H](C(=O)NN=C1CCC(C(C)(C)C)CC1)N(c1ccccc1)S(C)(=O)=O 4616651 AHXZPXBTHHUBLZ-VYRBHSGPSA-N 393.553 3.550 50 40 GHGB N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccccc1F 408813603 USKUOLFJDDWJRM-VQHVLOKHSA-N 382.132 3.569 50 40 GHGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc(O)cc1 408719451 PHNIGRLAMVSKPZ-XDHOZWIPSA-N 393.306 3.928 50 40 GHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 33794403 FZJIPIUCVLMHRG-ZMOGYAJESA-N 392.434 3.956 50 40 GHGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccc(F)cc1 100048440 ZHTUFSPSRRZARC-SRZZPIQSSA-N 392.228 3.723 50 40 GHGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccccc2C)c(Br)c1 20100970 BGXMRDNJMIJQBV-JMIUGGIZSA-N 375.266 3.903 50 40 GHGB N#CC(C#N)=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 4973906 CUHUAWFCKPBXBQ-UHFFFAOYSA-N 382.426 3.634 50 40 GHGB O=C(CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1)NCc1ccccc1 58914882 VVPNKRQAOPSEFH-ZVHZXABRSA-N 395.846 3.757 50 40 GHGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(S)N1 13739383 ZXSUJHGMNYZUJL-GOSISDBHSA-N 392.440 3.859 50 40 GHGB O=C(c1sccc1Br)[C@H](Br)CBr 307253142 URGMFTTVSIOZHG-RXMQYKEDSA-N 376.895 3.852 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 2295743 KIJABLVKXKAIDZ-BUVRLJJBSA-N 388.423 3.801 50 40 GHGB CCCC(=O)N/N=C/c1ccc(OCc2nc3ccccc3nc2C)c(OC)c1 16636914 ZRZPELZLYHSWKK-YDZHTSKRSA-N 392.459 3.776 50 40 GHGB C=CCN(c1ccc(C(=O)NN=C(CC)CC)cc1)S(=O)(=O)c1ccccc1 19926608 YWGPJOBATICQMF-UHFFFAOYSA-N 399.516 3.974 50 40 GHGB NC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 6222395 PYTCTQYTUAKHHT-UFWORHAWSA-N 382.645 3.684 50 40 GHGB Cc1ccc(S(=O)(=O)/C(C#N)=C/NC(=S)Nc2ccc(C)cc2C)cc1 5553266 PVFCDZPAUIYXNZ-SFQUDFHCSA-N 385.514 3.737 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(O)cc1 1102982 MARJGHNGAAQIJE-WYMPLXKRSA-N 376.391 3.574 50 40 GHGB N#C/C(=C\c1cn(CC(=O)NC2CC2)c2ccccc12)c1nc2ccccc2[nH]1 7467929 CAYKVKJLWOWMIH-RVDMUPIBSA-N 381.439 3.860 50 40 GHGB CCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccccc3Cl)ccc21 8687903 NNCVEWUIOQOTKU-UHFFFAOYSA-N 387.896 3.649 50 40 GHGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1cccc2ccccc12 12137408 YOXYPSOHKZWUBT-FQEVSTJZSA-N 392.455 3.532 50 40 GHGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(I)cc2)o1 252485594 GZUYPCOADOAUQB-FLIBITNWSA-N 379.153 3.631 50 40 GHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCCO2 409366411 UXWNKPTWSNOEIV-BUVRLJJBSA-N 390.439 3.703 50 40 GHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(N(C)C)c(Br)c1 409382324 ZWOMURPDCKPDMA-DHDCSXOGSA-N 387.281 3.611 50 40 GHGB Cc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N32)cc1 12275118 KTLLBZVXIIGHGJ-LAUBAEHRSA-N 380.444 3.777 50 40 GHGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1 1912669 BGTIGYMXQGRJQG-RVDMUPIBSA-N 399.472 3.963 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 5157851 RZUXAJKATDONJU-GOSISDBHSA-N 388.427 3.702 50 40 GHGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2cnc(N3CCOCC3)s2)cc1 96315909 PPXDSPAGAFIJHU-GHRIWEEISA-N 396.516 3.868 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)c(OC)c1OC 409128599 SHSMFMFORZYLTI-OMBDHMDGSA-N 388.489 3.652 50 40 GHGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1N(C)C 31723479 KIYZAPOCLOJVIZ-NDENLUEZSA-N 390.281 3.678 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(C)cc1 16758817 VTTKIYVVWFWMKU-SRIJWZPRSA-N 392.480 3.984 50 40 GHGB O=C(CCCc1nc(-c2cccs2)no1)NNc1ccc(F)c(F)c1F 58314278 IQBSPADSURYRDH-UHFFFAOYSA-N 382.367 3.681 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)OC(C)C 408601598 KRYBTKMIMKMKHO-BOPFTXTBSA-N 394.427 3.571 50 40 GHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408797966 UQFJYCLIDWPFRF-NTEUORMPSA-N 381.775 3.806 50 40 GHGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OC 408907557 NPYRRNOJZMFJQS-HZHRSRAPSA-N 384.476 3.884 50 40 GHGB CCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OC)c(OC)c1 6324327 FXVZVCPTOYVCKR-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 7385255 OANGRFZAIXPAIZ-XQNSMLJCSA-N 381.476 3.848 50 40 GHGB CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OC)cc1OC 4751327 QDDIULHQNCBIRL-FQEVSTJZSA-N 394.427 3.849 50 40 GHGB NC(=O)c1ccc(OC(F)(F)[C@H](F)Cl)cc1OC(F)(F)[C@@H](F)Cl 1601758 FAANUIINGWBHBL-DTWKUNHWSA-N 386.075 3.798 50 40 GHGB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H](Cl)[C@@]2(O)C1 118918394 DNJABCBTMIQRHM-JGBJLWPLSA-N 382.928 3.862 50 40 GHGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccccc1OCc1ccccc1 409252260 CYARCIRAUNEFMJ-ZVHZXABRSA-N 388.423 3.687 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1C 408795229 KQLVGXFBYFWZTA-XDHOZWIPSA-N 391.471 3.753 50 40 GHGB CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 14333282 APRNMZHUJPTSHC-LRYXAPPNSA-N 384.520 3.943 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)n1 8336693 SOQBEBXVFQRQAQ-UFFVCSGVSA-N 384.436 3.735 50 40 GHGB COc1cc(/C=N/NC(=O)CSc2cc(C)c3cccc(C)c3n2)ccc1O 871038 NSSBPVMMVSDDLP-SSDVNMTOSA-N 395.484 3.808 50 40 GHGB N#CCCN(C(=O)COC(=O)/C(C#N)=C/c1ccc(Cl)cc1)c1ccccc1 3241122 NFYQETXDYPTYFD-GHRIWEEISA-N 393.830 3.737 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)OCCO1 17078241 MPBLOPHXYPPDPN-KEBDBYFISA-N 383.231 3.857 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1O 27571825 QEAKZRGTEGJMAV-FBHDLOMBSA-N 384.775 3.768 50 40 GHGB Cc1ccccc1C(=O)NNC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 40144684 ZBLVHAWKIIEGPH-MRXNPFEDSA-N 375.428 3.605 50 40 GHGB Cc1nc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)sc1C 100868262 XGFAFRIQQSPSTB-AMKSKSKJSA-N 385.327 3.857 50 40 GHGB Cc1cccc(NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1 704867 PYQJJRMQRFXSLH-FSJBWODESA-N 381.867 3.705 50 40 GHGB COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)cc1 841816 XCDVUPSEVOKWTI-CQSZACIVSA-N 384.482 3.711 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 889226 JCVHPSWMCHWFRU-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1cc(Cl)ccc1Cl 1666433 NALJDFZOTNPXHS-AWEZNQCLSA-N 382.272 3.940 50 40 GHGB CCCCCc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 2165991 RXFLXFXDBVLBJS-FYJGNVAPSA-N 385.420 3.562 50 40 GHGB C[C@@]1(C(=O)[C@H](Br)[C@H](Br)c2ccc(Cl)cc2)CO1 5534839 UGKLSWVMIVMWFN-FOGDFJRCSA-N 382.479 3.898 50 40 GHGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)cc2c(=O)[nH]1 5646676 LZUOFNUEVMVCDS-YRNVUSSQSA-N 397.188 3.658 50 40 GHGB C/C(=N\NC(=O)c1ccccc1OCCOc1ccccc1)c1ccccn1 6049316 ZMJOWAVZFZWLEC-JJIBRWJFSA-N 375.428 3.693 50 40 GHGB CCOC(=O)c1cc(C(=O)NNc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 57351454 BIIRDIFVNYQIIA-UHFFFAOYSA-N 397.309 3.547 50 40 GHGB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNc1ccccc1C(F)(F)F 68773710 QAFSBCDJFBTRSN-INIZCTEOSA-N 397.372 3.742 50 40 GHGB CO[C@@H]1OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 263604358 OOXMKLJEENKKJP-LJISPDSOSA-N 380.706 3.649 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(O)c(OC)c3)cc2c1 409186959 KDUVKPXGTHXVMV-FBHDLOMBSA-N 388.807 3.963 50 40 GHGB COc1ccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 2339000 XXIWUNQBHYSNFO-GOSISDBHSA-N 377.469 3.915 50 40 GHGB O=C(CSc1cccc2cccnc12)NNC(=O)c1cc2ccccc2o1 6561562 LTENGKSVFQLLMN-UHFFFAOYSA-N 377.425 3.534 50 40 GHGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 16758803 NYMAMWGLWXETAP-IMGOXIFKSA-N 397.887 3.512 50 40 GHGB Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1cccc(OCc2ccccc2)c1 33336587 WWFRNMFVPKPQLG-UCQKPKSFSA-N 376.460 3.688 50 40 GHGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)c(OC)c1 408864827 AADBICRSSDINOU-OVCLIPMQSA-N 386.835 3.589 50 40 GHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)COc1cccc2cccnc12 409106443 RVEVXRCBZPCANE-FSJBWODESA-N 383.835 3.816 50 40 GHGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)NC1CCCC1 409189027 HGWLJZIRWHYTTA-PTNGSMBKSA-N 378.388 3.748 50 40 GHGB COc1ccc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc2c1 872616 WEDKYCZLCLWWEC-KRWDZBQOSA-N 381.819 3.712 50 40 GHGB CCOc1cccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1O 904051 CKQXWJDDOORZCH-BUVRLJJBSA-N 390.439 3.987 50 40 GHGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1nccs1 3298551 STMZUYZFJBAXKD-DHZHZOJOSA-N 387.827 3.975 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 103282153 ZWJAMWRVNSZXTO-ZVHZXABRSA-N 387.439 3.739 50 40 GHGB O=C(O)COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1Cl 59249235 YJMGNQAKWSTCRM-SSDVNMTOSA-N 382.803 3.721 50 40 GHGB COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4cccc(O)c4)cc3C2)cc1 408729409 FDUJQZXGMLXHMP-CFRMEGHHSA-N 387.439 3.685 50 40 GHGB CCCCOc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 409165109 SOXGRTZITXGIHP-OQLNFPPLSA-N 393.487 3.677 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 111677222 ZCRWEBWLOLFMFX-GHXNOFRVSA-N 387.779 3.811 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1cccc(Cl)c1Cl 5409181 CVWVIPFCRXFKIY-MRVPVSSYSA-N 375.137 3.953 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2ccc(C)cc2)nnc1-c1ccccc1 1303261 DTSLSNHXQWKVIM-FYJGNVAPSA-N 379.489 3.516 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 3530820 LSZQNTRGQBCXFY-MHWRWJLKSA-N 375.380 3.760 50 40 GHGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1OC 4631445 CFUWPEOMMUOBDE-MRXNPFEDSA-N 382.464 3.723 50 40 GHGB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NNC(=O)c2cccc(F)c2)cc1 4681188 FJJHCXOUCMQGCB-OAHLLOKOSA-N 399.466 3.765 50 40 GHGB CCOC(=O)/C(C#N)=C\C=C(C)/C(C)=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17139574 PRFUVCLVVZEPRB-TYLKSBQPSA-N 386.364 3.778 50 40 GHGB COCCN1C(N)=C(C#N)[C@H](c2ccc(SC)cc2)C2=C1CC(C)(C)CC2=O 409140221 GOVXIOQUXVPKFW-IBGZPJMESA-N 397.544 3.791 50 40 GHGB CCOc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1ccccc1 4714611 WENVGXCSDJLAIH-LFVJCYFKSA-N 395.503 3.600 50 40 GHGB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NNc3cccc(Cl)c3)C2)c1 45080657 VNPYCXLXPGKBEH-INIZCTEOSA-N 385.895 3.952 50 40 GHGB COc1ccc(Cl)cc1NC(=S)NNC(=O)CSCc1ccccc1 6457883 OOJMPKWOCXPMGV-UHFFFAOYSA-N 395.937 3.600 50 40 GHGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21 409045605 ZTRIRKPLNVWTPJ-YDZHTSKRSA-N 375.428 3.557 50 40 GHGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1 409187263 ODGRTQLDNQYDJV-NHDPSOOVSA-N 389.839 3.826 50 40 GHGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1Oc1ccccc1 24296073 SOXJRAVUOHUUAO-HNNXBMFYSA-N 394.402 3.847 50 40 GHGB COc1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 408854951 LFFWEHYHSFSTMT-LPYMAVHISA-N 383.835 3.668 50 40 GHGB CCOc1ccc2ccc(OCC)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c2c1 5444699 KFLHUUISCBIPSO-FQEVSTJZSA-N 390.443 3.887 50 40 GHGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OC(C)C 8227296 AMGPOKCJVIMLRN-SRZZPIQSSA-N 376.840 3.665 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CCC(=O)Nc2c(C)cc(C)cc2C)cc1 5475399 JPQOZKFQARYZGU-OEAKJJBVSA-N 381.476 3.880 50 40 GHGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccccc1C(C)C 12137429 DHSFUQZKMSUZPF-LJQANCHMSA-N 384.476 3.502 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3)c2C)c(C)c1 58912624 DRPARRZQNMVJRO-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1ccccc1Cl 100090413 VBGHRJGATNFQMS-WYMPLXKRSA-N 387.911 3.777 50 40 GHGB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H](Cl)[C@@]2(O)C1 118918395 DNJABCBTMIQRHM-IQOFMAAZSA-N 382.928 3.862 50 40 GHGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408795662 MEHAITFHGNFEKU-NTEUORMPSA-N 382.803 3.612 50 40 GHGB COc1cc(Cl)c(/C=N/NC(=O)c2ccccc2Br)cc1OC 20760433 RTPGGMOGWOKRDE-DJKKODMXSA-N 397.656 3.884 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)c(OC)c1 1092189 CAZWCZKMPOBFOK-QKIXXSFTSA-N 377.444 3.808 50 40 GHGB CCOc1ccc(OC)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1 3167356 HIZWDZBSTOZNCN-XMOVILSBSA-N 376.840 3.665 50 40 GHGB CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2327248 ZBWNUQXRRTXLDD-GMQRBVGNSA-N 378.453 3.676 50 40 GHGB C/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 12571771 DVXRQIHJGNCWJC-GRSHGNNSSA-N 382.203 3.821 50 40 GHGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(O)cc1O 6415958 NVFUMRGEGCVFIK-KTMXNEEYSA-N 383.231 3.712 50 40 GHGB Cc1ccccc1N1C(=O)[C@H](Cc2ccc(Cl)cc2)S/C1=C(\C#N)C(N)=O 13644515 FBXSAQDUQQDCGF-AWZALFRUSA-N 397.887 3.560 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cccc(C)c2nc1Cl 872604 BZHMMSOZHFNXNW-MRXNPFEDSA-N 383.835 3.841 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc3cccnc23)cc1 2801423 ZIQRHRLYWBZISI-WTJYETQFSA-N 375.428 3.717 50 40 GHGB CCOc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1O 3101542 INGGXKLNEMFYQE-AWQFTUOYSA-N 383.231 3.627 50 40 GHGB COc1ccccc1/C=N/NC(=O)c1ccccc1OCCOc1ccccc1 3299943 RJDNTDMXGDUZRU-JJIBRWJFSA-N 390.439 3.917 50 40 GHGB COc1ccccc1NCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4711916 LGMYFROZJUDSAH-MFKUBSTISA-N 389.455 3.836 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1Cl 6033628 PDWNVOKYIHHKGO-FBCYGCLPSA-N 395.640 3.904 50 40 GHGB CC1=C(C#N)[C@@H](c2ccccc2I)C2=C(CCCC2=O)N1 22612009 RNSKIPGJONKLIL-MRXNPFEDSA-N 390.224 3.783 50 40 GHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@H](C)SCc1ccccc1 30835580 WEXHXAIDWDARIE-QPNANDPSSA-N 394.500 3.658 50 40 GHGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 33771631 LCLYXQUTMIXSAT-NHDPSOOVSA-N 383.791 3.931 50 40 GHGB CC[C@@H](C)Oc1ccccc1/C=N\NC(=O)COc1cccc2cccnc12 409017559 MIDMHMUUPPTETK-DNPFKWNUSA-N 377.444 3.941 50 40 GHGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1OC 5456723 FOHFFSCKFQWAKI-GOSISDBHSA-N 388.427 3.702 50 40 GHGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CC(C)(C)C)cc2)n1 32969034 MPIFFKMDNRXBIO-UHFFFAOYSA-N 386.521 3.583 50 40 GHGB Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)NC(N)=O)cc1 409236422 GAMPVWHOMJDBQG-PDGQHHTCSA-N 385.423 3.829 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC#N 409375474 LJDPADAQUPDZPN-UFFVCSGVSA-N 378.215 3.668 50 40 GHGB CCCOc1ccccc1/C=N/NC(=O)COc1ccccc1Br 3089616 IHNQGEHDOKFBOV-UDWIEESQSA-N 391.265 3.767 50 40 GHGB N#CSc1ccc2nc(N[C@H](NC=O)C(Cl)(Cl)Cl)sc2c1 6513472 WFGJFBYQAATRBA-VIFPVBQESA-N 381.697 3.724 50 40 GHGB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H](Cl)[C@@]2(O)C1 12656125 DNJABCBTMIQRHM-BLVMAWABSA-N 382.928 3.862 50 40 GHGB COc1ccccc1C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 17171551 DHZURBSNXVXEBM-UHFFFAOYSA-N 397.434 3.985 50 40 GHGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C(C)C)cc3)CC2=O)cc1 409161591 WDRVVQGVXRYNRP-DEYGKZMTSA-N 377.488 3.876 50 40 GHGB C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 409319109 AHAJEAWLHQRNMN-HLLBOEOZSA-N 383.517 3.548 50 40 GHGB Cc1sc2nc(C(C)C)nc(N3CCN(C(=O)CCCl)CC3)c2c1C 4218023 NRWGHTNTFUYHLW-UHFFFAOYSA-N 380.945 3.709 50 40 GHGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 8812152 YWSQAZWUMVJONM-SRZZPIQSSA-N 383.335 3.766 50 40 GHGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(N2Cc3ccccc3C2)c1 59503625 NWTILURQNVOSEN-WYMPLXKRSA-N 385.423 3.699 50 40 GHGB O=C(N/N=C/c1cc(Br)c(O)c2ncccc12)c1ccc(F)cc1 59459138 XVDUFQIINFCYNF-ZVBGSRNCSA-N 388.196 3.606 50 40 GHGB O=C(N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 1472636 WZRQDMJVOVJIPB-HYARGMPZSA-N 389.367 3.578 50 40 GHGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 2348462 NZKLVDAGGNXCIG-HNNXBMFYSA-N 376.243 3.702 50 40 GHGB CCc1ccc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2Cl)cc1 2532725 QSAWCAXBEAZMJA-UHFFFAOYSA-N 382.247 3.788 50 40 GHGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1 9087935 CMPVMXZNSWOGHJ-CQSZACIVSA-N 381.457 3.553 50 40 GHGB CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)cc1 5070562 FPUFAILDPFXBSN-JJIBRWJFSA-N 375.476 3.873 50 40 GHGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CCC)c32)cc1OC 5125975 XZULVOKGHSKLEA-GOSISDBHSA-N 382.464 3.768 50 40 GHGB CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(Br)s1)C(C#N)=C(N)O2 4494623 AIWFBERAGNJOLH-SNVBAGLBSA-N 379.283 3.749 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc(F)cc2)n[nH]1 4677687 WJEDJNLCXDERCE-KEBDBYFISA-N 387.212 3.742 50 40 GHGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 16158321 USENQCATDSMHEC-DHDCSXOGSA-N 397.228 3.931 50 40 GHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc(I)c1 408720702 CMMIRSIYTPNRIY-QUYNDJIQSA-N 382.245 3.568 50 40 GHGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCCC1 409371648 JBHINCQTCPZOOG-QGOAFFKASA-N 377.400 3.703 50 40 GHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(Cl)c1 408765219 ONWWVCFXPREQGP-ZMOGYAJESA-N 389.842 3.958 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccs1 30822026 UMNZZBSTHNYRGV-UUYOSTAYSA-N 398.415 3.879 50 40 GHGB COc1ccc(F)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1 659946 HEGHSDLJJKGKFO-IBGZPJMESA-N 376.391 3.547 50 40 GHGB N#CC(C(=O)COC(=O)c1ccccc1C(F)(F)F)=C1Nc2ccccc2N1 2637715 IHNQCWAYOMLSGC-UHFFFAOYSA-N 387.317 3.704 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC(C)C)c1 6345648 UCFJMAAZRLSVCY-CIAFOILYSA-N 385.420 3.933 50 40 GHGB Cc1ccc(N2C(=O)[C@@H](C)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 12579923 PMDOUUQFERPRMN-GALDBLJUSA-N 377.469 3.515 50 40 GHGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 30802768 UUENMZAYQAVPIM-OXUDEJCESA-N 394.471 3.701 50 40 GHGB N#Cc1ccccc1OCC(=O)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 37399327 PSCYMTUUGUESFT-BDPHVXEFSA-N 397.434 3.981 50 40 GHGB O=C(CCl)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1 59417647 PRCDKPNUPIGYKF-UHFFFAOYSA-N 398.922 3.661 50 40 GHGB CN(/N=C/c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(=O)CCl 91695364 QEMVFQYYFBGKJJ-FOKLQQMPSA-N 398.816 3.865 50 40 GHGB CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(CBr)[C@H]2Br 109275310 OZJYQWHCUOQKDZ-BDODKLCJSA-N 388.925 3.668 50 40 GHGB O=C(NN(C(=O)c1ccccc1)c1ccccc1)C(=O)n1ccc2ccccc21 2303621 XJDSZPIKOLFTBG-UHFFFAOYSA-N 383.407 3.660 50 40 GHGB COc1ccc(NC(=O)C(=O)N/N=C\C(C)=C/c2ccc(C(C)C)cc2)cc1 28632621 XYMNQEDMPASSFA-UCGGVQKOSA-N 379.460 3.963 50 40 GHGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 5726811 XKBGPOLYTZWTDX-ZAERPUHVSA-N 381.432 3.852 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 9355267 KWABPKMVKZMTCG-UFWORHAWSA-N 382.203 3.739 50 40 GHGB CCOC(=O)C/C(C)=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 408948027 BSGBYPNBXMAXEA-ULJHMMPZSA-N 396.487 3.837 50 40 GHGB COc1cc(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c1O 408814996 SSRRAZYAHKFHCT-GKLIYAQQSA-N 393.281 3.765 50 40 GHGB C#CCn1c(C)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc21 409360379 FBGGKISIDCFWAH-ZMOGYAJESA-N 378.863 3.799 50 40 GHGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2ccc(C)cc2)o1 408884499 YDVHKKBDDXIBSK-MTJSOVHGSA-N 379.372 3.936 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 5740929 LUAQSLWFMWKQQD-UFFVCSGVSA-N 384.779 3.854 50 40 GHGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\NC(N)=O)[C@@]4(C)CC[C@@H]32)C1 12655851 CDZFBBLHHNZLCF-OTYUGQPCSA-N 387.524 3.905 50 40 GHGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc2cccnc12 21286155 LLVXZCWLNAPKAE-UHFFFAOYSA-N 376.294 3.919 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 9204289 QUTJWINBPKZPHX-DEDYPNTBSA-N 375.266 3.931 50 40 GHGB O=C(NNC(=O)c1cc2c(s1)CCCCCC2)C1=NO[C@H](c2ccccc2)C1 70014333 DRZQSKPIDKGSSV-KRWDZBQOSA-N 397.500 3.686 50 40 GHGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccs3)cc2)cc1 408839123 NKSXRBVIJKMQAZ-FYJGNVAPSA-N 379.441 3.773 50 40 GHGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(Oc1ccccc1)Oc1ccccc1 1021022 VJENDDAOLZNPGS-PXLXIMEGSA-N 391.383 3.529 50 40 GHGB C[N+](C)(C)CCCCCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 4539185 JPBYTFVNDZYBHK-CAPFRKAQSA-O 381.497 3.855 50 40 GHGB CCCc1n[nH]c2c1[C@@H](c1cc(Cl)cc(Cl)c1OC)C(C#N)=C(N)O2 806420 KXCGSYOOPCAWMK-ZDUSSCGKSA-N 379.247 3.896 50 40 GHGB COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1Br 5514068 RZBBCMAMDVXCFX-VXLYETTFSA-N 381.657 3.804 50 40 GHGB CC[C@@H](Br)C(=O)Nc1nc2ccc(O[C@H](C)COC)cc2s1 20132461 RYDIZHZDGIREOX-MWLCHTKSSA-N 387.299 3.822 50 40 GHGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(CC(N)=O)c2ccccc12 35104823 OECCMAUFBFKQSU-ZSOIEALJSA-N 392.846 3.634 50 40 GHGB CC(C)(C)OC(=O)N1CCC2(CC[C@H](CI)OC2)CC1 95740398 VGHJXOOELHXTLQ-GFCCVEGCSA-N 395.281 3.618 50 40 GHGB in-vitro COCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 408818280 VBJQWEKZVMWVMK-QGOAFFKASA-N 391.446 3.807 50 40 GHGB CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 804008 KHNNBBIBDXUCBR-GOSISDBHSA-N 394.402 3.616 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1 59433261 IFCBAESDEMSGPY-CIAFOILYSA-N 395.371 3.636 50 40 GHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4155611 SWRMODZCKXDCOB-XPAGJJBOSA-N 382.203 3.819 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(C)c2C)c1C 5869864 RPSUYRYKWQXXFZ-YBFXNURJSA-N 381.476 3.803 50 40 GHGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccccc1Cl 20247917 XVPUIAHZYHDEGL-DJKKODMXSA-N 393.852 3.640 50 40 GHGB O=C(N/N=C/c1cccnc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 1021866 YUPLUYOGXNGKNK-YDZHTSKRSA-N 378.819 3.751 50 40 GHGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C1\C(=O)Nc2ccccc21 4502939 MSFYYQJBGMMHFK-UHFFFAOYSA-N 399.475 3.962 50 40 GHGB O=C(NNC(=S)Nc1ccccc1F)c1ccc(C2SCCS2)cc1 8346893 WXZQLYLBQGZMEM-UHFFFAOYSA-N 393.534 3.936 50 40 GHGB CCC[C@H](C(=O)NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccccc1 9592845 NKTUIZNUJOOFAR-HOCLYGCPSA-N 396.516 3.828 50 40 GHGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1cc(Cl)ccc1O 16693864 PQHTVDQCYGKSDR-BOPFTXTBSA-N 393.830 3.750 50 40 GHGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408967578 RBXYKAWOCOSOLF-LSHDLFTRSA-N 375.787 3.522 50 40 GHGB O=C(N/N=C/c1c(F)cccc1Cl)C(O)(c1ccccc1)c1ccccc1 1083337 OBPWFSYJHURPCO-ZVHZXABRSA-N 382.822 3.865 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 4108779 DBBRTYYMYFNYMF-UHFFFAOYSA-N 388.335 3.615 50 40 GHGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 4724838 FWTOHWSUHRAZAO-FBHDLOMBSA-N 384.779 3.976 50 40 GHGB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 10475782 RXEZJJRPQXCWHY-HYARGMPZSA-N 393.399 3.946 50 40 GHGB N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)NC1CCCCC1 13382087 OOKUWTCYOWZESK-SDQBBNPISA-N 377.238 3.534 50 40 GHGB CCOC(=O)/C(C#N)=C/C=C(C)/C(C)=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17139572 PRFUVCLVVZEPRB-BDMRYTNRSA-N 386.364 3.778 50 40 GHGB COC(=O)[C@H](Cl)[C@H](Cl)c1cccc([C@@H](Cl)[C@@H](Cl)C(=O)OC)c1 226333580 MXRXXKSKCXFTAW-DDHJBXDOSA-N 388.074 3.807 50 40 GHGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1O 408852773 ICQHKWKDJVBJQG-OCKHKDLRSA-N 389.205 3.673 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1 408883505 TVUIUGUPILYOBO-ZVHZXABRSA-N 392.386 3.817 50 40 GHGB Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Br)cc2)s1 3658027 IUFJDUQEVFHOSC-VCHYOVAHSA-N 394.294 3.688 50 40 GHGB COc1ccc2c(c1)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](Br)C2=O 4934193 KIVGMRXRLDTYRC-LFVTVUPYSA-N 381.266 3.804 50 40 GHGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 5604565 MIUBCMNQRFWUMT-HYARGMPZSA-N 375.384 3.791 50 40 GHGB Nc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 6393148 NQURBYQEGLTXHV-MFKUBSTISA-N 381.439 3.885 50 40 GHGB O=C(COc1ccccc1Cl)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 8271203 WOCQZPQVIJFMLL-UHFFFAOYSA-N 397.862 3.540 50 40 GHGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OCCC(C)C 8846170 IOUUYAPPXLOZIG-NRFANRHFSA-N 379.460 3.920 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)OCCO1 59418653 HUXSQISSZCZVFS-KEBDBYFISA-N 383.231 3.857 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1 408790743 YDIWHAQDRHYRIK-QGOAFFKASA-N 378.428 3.737 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC#N 408805949 CXMCDBPLSDRSSF-CXDFQFJYSA-N 375.428 3.772 50 40 GHGB Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1 408839574 UMEZFRQHYDHTQT-XNTDXEJSSA-N 399.450 3.722 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(F)c(Cl)c1 876108 YHMNQXDHBQRCPR-MHWRWJLKSA-N 387.842 3.652 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1 20764087 RYDZACRSAVUIKV-UDWIEESQSA-N 390.281 3.678 50 40 GHGB Cc1ccc(CN2C[C@@H](C(=O)NNc3cccc(C(F)(F)F)c3)CC2=O)cc1 68773917 IBYZOISBSCVDNV-HNNXBMFYSA-N 391.393 3.506 50 40 GHGB N#CC1=CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CC1 95452990 CGVCCPWOHKHRAY-UHFFFAOYSA-N 380.757 3.840 50 40 GHGB COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)c1 409253612 XLEYBGSHHZHRIP-LPYMAVHISA-N 387.867 3.916 50 40 GHGB CCc1cccc(N(/N=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)C(C)=O)c1 4546997 ASMUEQIUNZGRCW-FCQUAONHSA-N 390.395 3.606 50 40 GHGB Cc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1 12275788 UWSXGFSBCXFLDZ-DYESRHJHSA-N 380.444 3.777 50 40 GHGB CCn1c(SCC(=O)N/N=C\C=C\c2ccco2)nnc1-c1ccc(C)cc1 16712365 VHNWMQLOHSWHLM-PWXLJDLCSA-N 395.488 3.774 50 40 GHGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CC#N)c1C 20243774 FREDNUGEEONSCH-UFFVCSGVSA-N 387.281 3.837 50 40 GHGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 408795838 MTDXQPBUVJUQMM-OQLLNIDSSA-N 384.819 3.911 50 40 GHGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccccc1 3162842 UVWZQBGQGKOSAQ-LFVJCYFKSA-N 388.423 3.607 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)c(C)c1 22894701 BUWCCDPJKABGDB-UHFFFAOYSA-N 394.500 3.877 50 40 GHGB CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408756063 TVFLGBMRUIJVGI-NTEUORMPSA-N 385.217 3.920 50 40 GHGB CCOc1cc(/C=N/NC(=O)CSc2cccc3cccnc23)ccc1O 1058986 GBIKYAYDJORKEC-WSDLNYQXSA-N 381.457 3.582 50 40 GHGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccccc2)[C@H]3CCC1 57058889 KUJFKXAXHKBLGZ-IBUSPFOHSA-N 386.499 3.793 50 40 GHGB COc1cc(OC)c(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)cc1Cl 44167184 MOKPHMMFQRPUAE-UHFFFAOYSA-N 394.811 3.787 50 40 GHGB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccs2)N2NC=C(C#N)C2=N1 13552691 CJJLVORHPSVGKJ-IBGZPJMESA-N 389.484 3.959 50 40 GHGB NNC(=O)c1cn(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12 216951319 XFKHDIKTJQOHOE-UHFFFAOYSA-N 385.423 3.512 50 40 GHGB CC(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 408995168 AJDMUAKDUZXVBB-UHFFFAOYSA-N 394.258 3.663 50 40 GHGB COc1cc(OC)c(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1Br 408718976 ZGWLAUVYTGKQCQ-VEQRBOACSA-N 395.297 3.743 50 40 GHGB O=C(CCCC(=O)N/N=C\C=C/c1ccccc1)N/N=C\C=C/c1ccccc1 17419902 NYYGHPIEMYUHCN-NEVGNASDSA-N 388.471 3.788 50 40 GHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(c1ccccc1)c1ccccc1 3470911 HQCSKHNRRHBYKD-HYARGMPZSA-N 375.384 3.583 50 40 GHGB Cc1ccc(S(=O)(=O)N(/N=C/c2ccccc2)C(=O)c2ccccc2)cc1 1715514 MLVFVZIMVARAEM-CJLVFECKSA-N 378.453 3.860 50 40 GHGB N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100421327 AATSSUCGBXMQGK-GXDHUFHOSA-N 391.412 3.794 50 40 GHGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)Nc1ccc(Cl)cc1 1088090 VKEYXOTZBFOADU-UHFFFAOYSA-N 388.638 3.879 50 40 GHGB CCC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2674588 ZHNCYHBRWWOPTQ-RONKMWSCSA-N 375.812 3.946 50 40 GHGB COc1ccc([C@@H]2CC(=O)N3CN(C4CCCC4)CSC3=C2C#N)cc1OC 20348151 YSBMLQDYPQDKCL-INIZCTEOSA-N 399.516 3.661 50 40 GHGB CCc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)OC)c3ccccc23)cc1 408767184 JSJHZVQFVPFPKF-ATVHPVEESA-N 387.439 3.922 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Nc1cccc(C)c1 662815 QRGCZHQCWNXQHQ-HSWQHBDASA-N 390.281 3.717 50 40 GHGB N#C/C(=C/c1ccccc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1453196 PQLOINZKDRDOLA-XFXZXTDPSA-N 385.876 3.925 50 40 GHGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)C2=C(CCCC2=O)N1 2309886 LBZPCAKFVHERJL-LJQANCHMSA-N 382.485 3.720 50 40 GHGB COc1ccc(C(=O)N/N=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)cc1OC 4567454 JCLDPVVGTNBSCV-KDELRPQBSA-N 389.795 3.608 50 40 GHGB CCc1cc2cc(C)ccc2nc1SCC(=O)NNC(=O)C1CCCCC1 4849328 WZNKMYUZDKPQBX-UHFFFAOYSA-N 385.533 3.925 50 40 GHGB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2ncccc2c1 6418831 ZDNRVWRQTZBKBP-KTTHZPLSSA-N 384.480 3.624 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)cc1 408598548 CXYDKIKBRGIXDO-LPYMAVHISA-N 392.415 3.775 50 40 GHGB COC(=O)c1sc2ncc(C(=O)/C=C/c3cnn(CCCl)c3)cc2c1C 57739246 GPHPOMDESYPCFI-ONEGZZNKSA-N 389.864 3.723 50 40 GHGB C=CCc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc(OCC)c1O 59248446 WSHIMVMMVXQBHZ-ZMOGYAJESA-N 381.476 3.698 50 40 GHGB N#C/C(=C/c1cnc(N2CCOCC2)nc1)c1nc(-c2ccccc2)cs1 84564641 ODUDKLLBLGKQDC-YVLHZVERSA-N 375.457 3.501 50 40 GHGB COc1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1 409315358 VCOJUKQOCWIEBW-SFHVURJKSA-N 380.469 3.846 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 3247768 QESANBSEBPMAKB-WGOQTCKBSA-N 398.466 3.820 50 40 GHGB Cc1ccn2c(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c(C)nc2c1 12966953 JWYNPPJBIGEGJK-UHFFFAOYSA-N 392.246 3.724 50 40 GHGB CCOc1ccc(OCCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1 18097664 OANQAEITUZBURM-UHFFFAOYSA-N 397.258 3.622 50 40 GHGB CCCCCOc1ccc(/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1OC 26533213 CEZUALSQHPPXEW-RGEXLXHISA-N 396.491 3.574 50 40 GHGB COc1ccc(-c2cc(C(=O)N/N=C\c3ccc(Br)cc3)[nH]n2)cc1 33089297 GTYAGIQCYCCZKZ-JAIQZWGSSA-N 399.248 3.612 50 40 GHGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(F)cccc3Cl)[C@@H]2C1 33936161 VITDLNKSYWAGFK-DNVCBOLYSA-N 395.869 3.614 50 40 GHGB Cc1ccc(C(C)C)c(OCC(=O)n2c(C)c(C(=O)NN)c3ccccc32)c1 218740001 STTUHUIIPBNHRF-UHFFFAOYSA-N 379.460 3.704 50 40 GHGB COc1ccc(-c2nc3cc(NC(=O)CSC#N)cc(C)c3o2)cc1OC 226328079 YBLOWIXSUYAHTL-UHFFFAOYSA-N 383.429 3.973 50 40 GHGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 726459 IXVXDBMYFSTEMQ-BUVRLJJBSA-N 384.439 3.986 50 40 GHGB NC(=O)c1ccc(OC(F)(F)[C@@H](F)Cl)cc1OC(F)(F)[C@H](F)Cl 1601757 FAANUIINGWBHBL-BDAKNGLRSA-N 386.075 3.798 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)ccc1OC(C)=O 59292110 FMPYBKBDLKSTKH-MHWRWJLKSA-N 380.400 3.565 50 40 GHGB O=C(NNC(=S)NCCCc1ccccc1)c1ccc(Cl)c(Cl)c1 408585749 IZWDEMMPSPFDHZ-UHFFFAOYSA-N 382.316 3.735 50 40 GHGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(C)cc3OC)c2c1 409014379 PEYWPPMAHRMODM-YDZHTSKRSA-N 378.428 3.938 50 40 GHGB CC(C)n1cc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccccc2F)c2ccccc21 409170048 SCNQJIBLMBSLAZ-ZIFAQYRBSA-N 394.450 3.630 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)c([N+](=O)[O-])cc1OC 409175242 YLHCDIDMMNMFAI-CIAFOILYSA-N 379.372 3.529 50 40 GHGB CCn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21 409366435 VADXOSOAYXIJLT-OEAKJJBVSA-N 379.460 3.680 50 40 GHGB CCOc1cc2c(cc1/C=N/NC(=O)CSc1ccc(Cl)cc1)OCO2 6961695 UCLZRXZJAMXANQ-AWQFTUOYSA-N 392.864 3.710 50 40 GHGB CCOc1cc(C(=O)N/N=C2\CCc3ccccc32)cc(OCC)c1OCC 8102127 KJRDFPFPPDECKB-PTGBLXJZSA-N 382.460 3.963 50 40 GHGB COc1ccc(S(=O)(=O)/C(C#N)=C\Nc2cccc(C(F)(F)F)c2)cc1 102734363 VMXBAXWHCRNMTQ-WJDWOHSUSA-N 382.363 3.965 50 40 GHGB NNC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226334396 ZIMCLCXRDMHDCA-XBXARRHUSA-N 381.657 3.685 50 40 GHGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 408534369 VJJJULLPNBEOGK-SRZZPIQSSA-N 383.335 3.523 50 40 GHGB CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408793052 CWGIFRZKLCLJSV-MHWRWJLKSA-N 397.862 3.789 50 40 GHGB COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1OCC(C)C 408916074 ULGTZKNVNIYTEX-SSDVNMTOSA-N 390.867 3.913 50 40 GHGB COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1O 408982103 FSWWDCMLKOXQDN-XGICHPGQSA-N 387.779 3.817 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 706075 YFLFZJISCKNRLM-OAHLLOKOSA-N 395.758 3.573 50 40 GHGB CCOC(=O)/C(C#N)=C/c1ccc(Oc2nc(Cl)ncc2F)c(OCC)c1 2310158 MRIXRQJENDOGFA-KPKJPENVSA-N 391.786 3.930 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OC 2740727 IXEBCEMUENQCTH-YBFXNURJSA-N 377.238 3.620 50 40 GHGB C=CCOc1ccc(C(=O)N/N=C/c2cc(OC)ccc2Br)cc1 3167647 XXTSNAIVFSNRKJ-UDWIEESQSA-N 389.249 3.786 50 40 GHGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(SCCO)c([N+](=O)[O-])c2)c1 32124804 NPCBDYZBEHNLIY-YBEGLDIGSA-N 397.456 3.842 50 40 GHGB N#CCn1cc(/C=N/NC(=O)c2cccc(Br)c2)c2ccccc21 108015647 PLNIUHHMLASRRP-SRZZPIQSSA-N 381.233 3.691 50 40 GHGB N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408797397 RQAJDBGKLKODRM-GXDHUFHOSA-N 382.217 3.897 50 40 GHGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)cc1 409364376 PHSUEWCHDSOHRB-BUVRLJJBSA-N 390.439 3.988 50 40 GHGB NC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 979676 MWSROMLHQPZMCU-UFWORHAWSA-N 382.645 3.684 50 40 GHGB CCOc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)ccc1O 903664 LPHUJXDHSKHWEL-KEBDBYFISA-N 378.881 3.828 50 40 GHGB CC(C)C(=O)NNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 58145145 BVJIJCLMAQTSCK-NRFANRHFSA-N 381.501 3.600 50 40 GHGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC#N)c2C)c(C)c1 20243772 ZUCXXCUZRJDYHT-UFFVCSGVSA-N 387.281 3.837 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OC 5475802 WXADDWGOAOKQDF-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CCN(CC)[C@H](C(=O)NNC(=O)c1ccoc1C)c1cc(Cl)cc(Cl)c1 89967856 IDMKPGDQFFTGHF-INIZCTEOSA-N 398.290 3.739 50 40 GHGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1O[C@H](C)C(=O)O 409248026 JPCFIUXBSUTANL-QJISPJEISA-N 394.427 3.710 50 40 GHGB CC1=C(C)[C@@H](OCCBr)N(c2cc(O)c(Cl)cc2F)C1=O 2290793 DJSIHRSMAAHWEI-CQSZACIVSA-N 378.625 3.605 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 4616840 WAGLWRRSAQTSPP-GHRIWEEISA-N 394.471 3.843 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OC 6581067 VDAGDMKVOUWXOY-UDWIEESQSA-N 389.249 3.786 50 40 GHGB O=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)Cc1c[nH]c2ccccc12 7984512 JBFBYAJZWJPDKZ-CMDGGOBGSA-N 387.361 3.590 50 40 GHGB O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1 16973889 AWUPGDYGVSICTI-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB O=C(CCCCBr)OCC(=O)c1ccc(Br)cc1 72333706 DSEXIVZXFKZLDZ-UHFFFAOYSA-N 378.060 3.740 50 40 GHGB CC(=O)Nc1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 100706631 HLHCPSGYPUZSLK-BOPFTXTBSA-N 375.837 3.549 50 40 GHGB Cn1c(SCCCCl)nnc1-c1ccccc1I 228930697 UZBOFGBSCTWBEO-UHFFFAOYSA-N 393.681 3.808 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408966257 OHRKQGQSSDVZAU-FYJGNVAPSA-N 380.404 3.951 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cccc(F)c3)o2)n1 409233323 UXXVQMYXXMTNFU-UFFVCSGVSA-N 384.436 3.735 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1 1089355 ZTIIEBVYDIUJSU-LPYMAVHISA-N 391.431 3.727 50 40 GHGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(N(CCCl)CCCl)cc1 1713564 ZGYIRHRXHQPFNZ-LPYMAVHISA-N 382.266 3.874 50 40 GHGB COc1ccc(/C=C(/C#N)C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 17186308 IMRXOYJRBKHDEI-JYRVWZFOSA-N 381.457 3.852 50 40 GHGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409221628 UAERAMJLAGBOBJ-PGMHBOJBSA-N 389.499 3.951 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccc(Cl)cc1 846345 ADANKMTYMZEWNC-MRXNPFEDSA-N 392.802 3.677 50 40 GHGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(O)cc1O 1878981 AZZMAYBPOUPBTP-KEBDBYFISA-N 383.231 3.714 50 40 GHGB Cc1cccc(N(NC(=O)C(=O)n2ccc3ccccc32)C(=O)c2ccco2)c1 1814531 WVQRSBAGRVORML-UHFFFAOYSA-N 387.395 3.561 50 40 GHGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)c1 409379462 XZTAUQJTBIKFJE-ZVHZXABRSA-N 391.427 3.686 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1 4859691 QXJRMOSWOQPERY-SSDVNMTOSA-N 393.399 3.998 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1C 409180931 VDBMMWJHWFXPHF-YDZHTSKRSA-N 376.412 3.954 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 3255585 PSWPBEZERNABBJ-AWNIVKPZSA-N 377.227 3.973 50 40 GHGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(O)ccc2ccccc12 1475188 XUNXVYMLJKXCPD-SRZZPIQSSA-N 376.441 3.664 50 40 GHGB O=C1[C@@H]2C[C@@H]3[C@H]4[C@H]2[C@@]2(Cl)[C@H](Cl)[C@](Cl)([C@@H]13)[C@]4(Cl)C2(Cl)Cl 100488117 IZHZFAQWVKBTSL-BKUFNKQLSA-N 380.913 3.809 50 40 GHGB COc1ccc2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3C)c(Cl)nc2c1 408884407 UIULOQPTTFKPEN-UFFVCSGVSA-N 398.806 3.877 50 40 GHGB CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)ccc3OC)[C@H]2C1 4631531 MMCLSZOTVXTBKG-FNXXIHLHSA-N 388.471 3.934 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)cc1 4722919 GIVOXPANUUVYJZ-FLIBITNWSA-N 378.169 3.738 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 408972922 WZSFHOOYPIBZCS-LPYMAVHISA-N 380.400 3.779 50 40 GHGB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N2C(=N1)SC(C#N)=C2N 408605742 MZDNJNWNKDRNMG-HNNXBMFYSA-N 388.880 3.676 50 40 GHGB CN1CCN(C(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 27025439 JVQGWVWXZKDQTC-QINSGFPZSA-N 389.377 3.646 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(CC)cc1 409361777 DFRMHOUJGXYHHP-HMAPJEAMSA-N 399.288 3.716 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)cc1C 409139660 CPQXQOAFCKNSKP-HNNXBMFYSA-N 381.457 3.607 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1N(C)C 1735335 KIYZAPOCLOJVIZ-UDWIEESQSA-N 390.281 3.678 50 40 GHGB Cc1cc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(=O)[nH]c2cc1C 876530 FDAVQRVATYYACK-IBGZPJMESA-N 389.455 3.596 50 40 GHGB Cc1cccc(NC(=S)NNC(=O)c2ccccc2Br)c1C 1410840 WPAWROHNYMLREE-UHFFFAOYSA-N 378.295 3.697 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 7652193 DMAVQHLAZJTVJQ-MUPHDSPYSA-N 379.460 3.838 50 40 GHGB CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 8569183 MTCIWCYTVSTRRC-HNNXBMFYSA-N 394.456 3.764 50 40 GHGB COc1ccc(C(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1OC 408891911 FFZGXJNCPBGHBI-WSDLNYQXSA-N 398.850 3.615 50 40 GHGB N#C/C(=C\c1cccs1)C(=O)Nc1ccc(I)cc1 408898995 YXMYFUGAUYJWOP-CSKARUKUSA-N 380.210 3.898 50 40 GHGB COc1ccc(F)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1 659944 HEGHSDLJJKGKFO-LJQANCHMSA-N 376.391 3.547 50 40 GHGB CC(C)(C)NC(=O)[C@H](Br)[C@H](Br)c1ccc(C#N)cc1 3172960 DMJZOKRFIGZXSJ-VXGBXAGGSA-N 388.103 3.672 50 40 GHGB O=C1C[C@H](c2ccccc2Cl)c2c(sc3c(=O)[nH]c(CCl)nc23)N1 13135533 SGOJYAXIFCHTLL-MRVPVSSYSA-N 380.256 3.851 50 40 GHGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 408742138 VAJABVHZUSUYBV-YVJZOELXSA-N 389.242 3.748 50 40 GHGB CN(C)c1oc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1Br 408845308 FYADXUFCLFXOBY-YFHOEESVSA-N 378.201 3.793 50 40 GHGB CO[C@H](C(=O)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl)c1ccccc1 408726919 CVQYUYNTFXBPQA-RYFGYPJOSA-N 398.806 3.634 50 40 GHGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccccc2O)cc1OC 35352623 MNZNUKRYIJOLDA-UORWWSPDSA-N 376.840 3.995 50 40 GHGB Cc1ccc2c(c1)N/C(=C(/C#N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)N2 3135603 FXXVYIPPSKPMIW-NXVVXOECSA-N 395.362 3.898 50 40 GHGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Br)o1)C(C#N)=C(N)O2 5921867 WHRKGVIBULSFOQ-INIZCTEOSA-N 397.232 3.754 50 40 GHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1I 6222240 WGFYTVPKFLBOQE-VCHYOVAHSA-N 398.631 3.637 50 40 GHGB CO[C@@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 5417377 TXSIQAOOXWYORM-IXOWOOARSA-N 387.867 3.857 50 40 GHGB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NNC(=O)c1cn(C)c2ccccc12 12538565 VGNUZPGONDFXTG-CYBMUJFWSA-N 384.867 3.879 50 40 GHGB CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 3384706 YABCIHNUVWLJAG-UHFFFAOYSA-N 391.265 3.559 50 40 GHGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OCC)[C@H](C#N)C(O)=N1 2292019 KRXRGLBHTVKRKC-KSSFIOAISA-N 399.472 3.700 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 409007231 VTHGVNZFGJVSDE-LFVJCYFKSA-N 377.488 3.813 50 40 GHGB CC[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 5557304 YRYCMCNIGOJOAU-KOXKPCSVSA-N 395.459 3.736 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c(OC)c1 6736144 LNNAHAKVOFMVPJ-LFYBBSHMSA-N 386.791 3.632 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)c([N+](=O)[O-])c1 408898091 ULEBDQWIGGXWJS-KPKJPENVSA-N 387.779 3.811 50 40 GHGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1 408737458 RDLAZSHWWYPVTN-AFUMVMLFSA-N 387.370 3.680 50 40 GHGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(I)cc1 409368045 QQPYKPYEMPPUQQ-GHXNOFRVSA-N 392.152 3.969 50 40 GHGB C/C(=N\NC(=O)COc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 408865869 FBDHEYAWIWYAOC-KOEQRZSOSA-N 387.439 3.858 50 40 GHGB Cc1ccc2cc(/C=N/NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(Cl)nc2c1 6199707 JOXVJCQBXURCQJ-FZTAQKCPSA-N 390.871 3.560 50 40 GHGB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccs2)N2NC=C(C#N)C2=N1 13552689 CJJLVORHPSVGKJ-LJQANCHMSA-N 389.484 3.959 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)o1 14407574 YNGGADOJHYGIGZ-CIAFOILYSA-N 379.372 3.839 50 40 GHGB N#C/C(=C\c1cccc(OC(=O)c2cccs2)c1)C(=O)Nc1nccs1 17077952 LRDKYQLLNFPPAC-UKTHLTGXSA-N 381.438 3.969 50 40 GHGB COc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1 100834635 FTKVMKFRVSKWPW-FSPWUOQZSA-N 380.282 3.793 50 40 GHGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)cc1 5868396 GXIUUGRENDLKTL-ATVHPVEESA-N 394.427 3.903 50 40 GHGB Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H]3CC[C@@]2(C)[C@@]3(C)CBr)cc1 16739540 LNGUCYLTDFRBSZ-ZQELMCHCSA-N 399.354 3.851 50 40 GHGB Cc1c(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)oc2ccccc12 7380345 DFMNOAGGPBLXCW-UHFFFAOYSA-N 399.255 3.671 50 40 GHGB CC[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1cc(OC)ccc1O 673324 JIXICMMYIPGGAI-IXOWOOARSA-N 377.444 3.895 50 40 GHGB CCOc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 4646458 CPNIZWCVOBDXGM-LFIBNONCSA-N 385.427 3.798 50 40 GHGB CCn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 4711017 WRDRIHUQTUIKDW-KNTRCKAVSA-N 384.483 3.917 50 40 GHGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1ccccc1O 14920247 DYDHFHMHADICPM-UFFVCSGVSA-N 380.231 3.834 50 40 GHGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(F)cc2)c(Br)c1 30900898 DAVHSBYWELAQQM-UKWGHVSLSA-N 379.229 3.734 50 40 GHGB O=C(COc1ccccc1/C=N\NC(=O)c1ccccc1)Nc1ccc(F)cc1 35383907 FDCGSYJBUDFUBZ-OYKKKHCWSA-N 391.402 3.607 50 40 GHGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccs1 59483838 PVVLGKWKPLJMKN-WOJGMQOQSA-N 394.294 3.770 50 40 GHGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 408589891 NIDPNXQQIFVIIF-FSJBWODESA-N 382.851 3.915 50 40 GHGB CC1(CC(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)OCCO1 408918646 NEJMGMPPPDQOGI-LPYMAVHISA-N 388.851 3.522 50 40 GHGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)cc(C)c2nc1Cl 898851 HSDQSWFZXQJFMP-INIZCTEOSA-N 383.835 3.760 50 40 GHGB CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 723740 SOAPUAGCDSTQMD-UHFFFAOYSA-N 376.456 3.977 50 40 GHGB N#C/C(=C\c1ccc(OCCOc2ccccc2)cc1)C(=O)NCc1ccco1 4996801 GQPQTNXCRZTYOD-XDJHFCHBSA-N 388.423 3.961 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(O)c1 409391208 HYLNEACAYACMAJ-OEAKJJBVSA-N 376.412 3.744 50 40 GHGB C=CCNC(=S)NNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 84638151 CCUVGAZPSRELJY-UHFFFAOYSA-N 393.843 3.868 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 408599316 SNRIXDZUAASVER-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)c1 409139185 BASVWBMOUFZLOT-AWEZNQCLSA-N 381.457 3.607 50 40 GHGB COc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(OC)c1O 30802748 BZECXOYVFGIUOA-WNGFQLFOSA-N 396.487 3.961 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccccc1Cl 5483298 SQAQXOIPZSJEKP-MRXNPFEDSA-N 392.802 3.677 50 40 GHGB O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 6405225 LIJXONAZFMSNTL-AFUMVMLFSA-N 396.406 3.759 50 40 GHGB Cc1ccccc1N1C(=O)c2ccc(C(=O)OC(CCl)CCl)cc2C1=O 707272 LMWDVTWZICCTDR-UHFFFAOYSA-N 392.238 3.799 50 40 GHGB CCn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 2348464 NZKLVDAGGNXCIG-OAHLLOKOSA-N 376.243 3.702 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 4513520 NLNFZYMYXAOIOV-KHRJRQINSA-N 390.395 3.671 50 40 GHGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)c1 6008976 SZWKGIVOWHPGMU-LVWGJNHUSA-N 393.487 3.773 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2O)c1C 408588866 KFUJEHDRPUWCIX-WSDLNYQXSA-N 392.415 3.780 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c1 408725226 GDUJSTJMIKTECK-CIAFOILYSA-N 395.371 3.636 50 40 GHGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408769411 TYNNSHNCTBGAHR-BUVRLJJBSA-N 393.487 3.587 50 40 GHGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cccn1-c1ccc(O)cc1 409018335 ULVMFVKWFGAHBM-CFRMEGHHSA-N 387.361 3.895 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(OC)ccc2nc1Cl 870404 INKDDAZDANENDU-KRWDZBQOSA-N 399.834 3.542 50 40 GHGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(N)=O)cc1 934855 ZVAVDJIVSLWVLK-SWEXZPIWSA-N 397.887 3.560 50 40 GHGB Cc1sc(=O)n(CC(=O)Oc2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1 102788774 DOCAMTPHBGFQCR-UHFFFAOYSA-N 388.376 3.538 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2CC=C)cc1OC 2176391 MTWJNYYNPJEXRZ-HZHRSRAPSA-N 380.444 3.518 50 40 GHGB Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC(C)C)c1 408708596 QZQOGDQYCLECJO-SSDVNMTOSA-N 386.883 3.675 50 40 GHGB COc1ccc(CN2CSC3=C(C#N)[C@H](c4cccs4)CC(=O)N3C2)cc1 20348040 PRDSIIBUNQDYDC-MRXNPFEDSA-N 397.525 3.972 50 40 GHGB CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 804009 KHNNBBIBDXUCBR-SFHVURJKSA-N 394.402 3.616 50 40 GHGB C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NNC(=S)NC1CCCCC1 3145731 RLHALMFNXDHNKX-JTQLQIEISA-N 389.352 3.622 50 40 GHGB O=C(CCc1ccccc1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 3427768 RGNHBQDSDVKYNE-UHFFFAOYSA-N 392.430 3.799 50 40 GHGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(OC2CSC2)c1 4502738 PWPCVAMDZFYOJO-UGVMZYNRSA-N 386.542 3.953 50 40 GHGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2nc3ccccc3s2)ccc1O 5528701 OGELJAAMYJKJJX-VURRPDKYSA-N 387.486 3.641 50 40 GHGB CCOc1cccc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1 8812785 QEEBJHLHYROZLU-YBFXNURJSA-N 377.238 3.620 50 40 GHGB Cc1ccc(N2C(=O)[C@H](C)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 12579959 AVSYEVYOKCQMHE-QKDOTCOFSA-N 391.496 3.557 50 40 GHGB COc1cc(C)c(/C=N\NC(=O)COc2cccc3ccccc23)cc1OC 34705387 KIYZOFIQPUJSBK-QRVIBDJDSA-N 378.428 3.695 50 40 GHGB CCOc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2C)cc1OC 818275 AXPJSCJKVXCGCZ-LJQANCHMSA-N 395.484 3.702 50 40 GHGB COc1ccccc1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1433442 HQWPTOAAGJTMFU-ZVHZXABRSA-N 391.402 3.851 50 40 GHGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1 5164671 HANQECBSKZMEHQ-SFHVURJKSA-N 388.427 3.702 50 40 GHGB CN(C)C[C@@H](/C(Cc1ccccc1)=N/NC(=O)c1ccncc1)c1ccccc1 5824198 NBDFSGIKEMKEQE-NJGKLKBPSA-N 386.499 3.756 50 40 GHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 33856686 HSSOPEHYZWQKCA-ZMOGYAJESA-N 392.434 3.956 50 40 GHGB N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 38704522 WSCVRQJRKHVKIY-RAXLEYEMSA-N 391.349 3.681 50 40 GHGB CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 83263040 QEBKBSMKIRXCHC-UKWGHVSLSA-N 382.247 3.618 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1[N+](=O)[O-] 408598612 FYIGOZJDJAWVEY-YBFXNURJSA-N 380.316 3.527 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC#N 408746869 WZABZTMYBRGGIQ-VBKFSLOCSA-N 377.400 3.542 50 40 GHGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1)c1ccccc1 409227669 ZOAZXCUJZULYSF-HMAPJEAMSA-N 389.367 3.578 50 40 GHGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC 409334040 QVJFJFPKAPKMDR-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 59382709 CCCGCOGJJKWLOC-KEBDBYFISA-N 376.865 3.510 50 40 GHGB CCCN(CCC)c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 23410904 OADIKGMADPEAGX-VQYZLWMVSA-N 381.476 3.603 50 40 GHGB Cc1cc(/C=N/NC(=O)CN2CCCC2)c(C)n1-c1cc(Cl)cc(Cl)c1 4091494 ASVSIRPURHEEED-SSDVNMTOSA-N 393.318 3.947 50 40 GHGB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NNc1ccccc1C(F)(F)F 68773712 QAFSBCDJFBTRSN-MRXNPFEDSA-N 397.372 3.742 50 40 GHGB C#CCn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 1095511 KSFSORSHOGBAIB-JZJYNLBNSA-N 394.478 3.530 50 40 GHGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(Br)o1 5778101 PXTRRZILTMAZRB-APSNUPSMSA-N 396.291 3.894 50 40 GHGB Cn1c(SCC(=O)NN=C2CCCCC2)nnc1-c1cccc(Cl)c1 5099983 TWJIEFISUPGJQO-UHFFFAOYSA-N 377.901 3.664 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OC(C)C 6892310 JACKINQABQTCAY-LPYMAVHISA-N 386.448 3.654 50 40 GHGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)cc1 9110616 BTLHRVNHIDZBKO-SFHVURJKSA-N 392.480 3.810 50 40 GHGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc1 33283466 RUUKSDHOUHJNFB-HAHDFKILSA-N 391.475 3.695 50 40 GHGB COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(-n4cncn4)c(F)c3)c2c1 44026868 OAFNYHDWVHCEIM-NSIKDUERSA-N 387.374 3.686 50 40 GHGB COc1cccc2cc(C(=O)N/N=C/c3cc(Br)ccc3O)oc12 408970236 DDRIILMDSQTSNZ-DJKKODMXSA-N 389.205 3.673 50 40 GHGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc([N+](=O)[O-])s1 1825439 BTXSMCWHADIOQL-VIZOYTHASA-N 378.460 3.508 50 40 GHGB COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1O 27579468 ZUMCOJXZVNJTFL-KEBDBYFISA-N 399.497 3.767 50 40 GHGB C[C@]1(C(=O)N/N=C/c2ccc(Cl)cc2)CC1(Br)Br 18193221 BWQSATBIMAFSAE-OHUUDMDPSA-N 394.494 3.686 50 40 GHGB N#Cc1ccc(COc2cccc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2)cc1 409193928 IBIKVGNGXBCRPL-JEWPKMHUSA-N 394.434 3.895 50 40 GHGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2=O)cc1 6962978 XQPOTOGBGHWQDC-OEBVFIGYSA-N 393.487 3.712 50 40 GHGB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NNC(=O)c1cn(C)c2ccccc12 12538566 VGNUZPGONDFXTG-ZDUSSCGKSA-N 384.867 3.879 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C 33305938 INWSSGBSRGOBLT-IWIPYMOSSA-N 389.455 3.574 50 40 GHGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(Br)c1 408768320 FELAFRLLXFTPAE-WOJGMQOQSA-N 376.210 3.820 50 40 GHGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc4ccccc34)CC2=O)cc1C 409154870 ORPIWHAANAFBAP-UMFTVLFGSA-N 385.467 3.960 50 40 GHGB O=C(CCCCC(=O)N/N=C\[C@@H]1C[C@@H]2CC[C@@H]1C2)N/N=C\[C@H]1C[C@H]2CC[C@@H]1C2 225691383 BSLBPCGUEKNUFS-GNGBINFJSA-N 386.540 3.623 50 40 GHGB COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 12735775 MPWYDEQCWIFOGU-UHFFFAOYSA-N 398.459 3.957 50 40 GHGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1ccc(Cl)cc1Cl 1661470 CLIROTCLBAHZBS-AWEZNQCLSA-N 382.272 3.940 50 40 GHGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)N2CCCC2)cc1 2645674 LJHXSXOOLHUNAG-XSFVSMFZSA-N 390.439 3.582 50 40 GHGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 16807741 RDTDZFCSCVOIQG-WGFSPCAYSA-N 380.680 3.517 50 40 GHGB COc1ccccc1[C@@H]1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N 20238150 FVIPENOKJNMPCH-INIZCTEOSA-N 381.457 3.503 50 40 GHGB CCOC(=O)NC1=C[C@H]2[C@H](C=C1)Sc1ccccc1N2C(=O)CCCl 24550360 JMDCXLWRYKPMHW-HOCLYGCPSA-N 378.881 3.691 50 40 GHGB O=C(NNC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccco1 29654384 UQZJNKGAHQKURT-UHFFFAOYSA-N 393.424 3.788 50 40 GHGB COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccc(F)cc1 58823055 LRMMVNVMOAANSH-AWQFTUOYSA-N 395.228 3.646 50 40 GHGB O=C(NNC(=O)C1(c2cccc(Br)c2)CC1)c1ccccc1Cl 65504087 KBFJEIMFCGQNNF-UHFFFAOYSA-N 393.668 3.595 50 40 GHGB O=C(NNC(=O)c1cc2c(s1)CCCCCC2)C1=NO[C@@H](c2ccccc2)C1 70014336 DRZQSKPIDKGSSV-QGZVFWFLSA-N 397.500 3.686 50 40 GHGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(F)cc1 408981712 WGGKUHSRCWZRJA-NSRYLYFRSA-N 389.430 3.837 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)cc1 409240199 FUTGSQOQWZKDIN-OYKKKHCWSA-N 379.435 3.935 50 40 GHGB N#C/C(=C\c1ccc(-c2cc(Br)ccc2Br)o1)C(N)=O 1407115 TVEQSCMCMZIIRI-VMPITWQZSA-N 396.038 3.864 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1Oc1ccccc1[N+](=O)[O-] 59475420 XQIBXMFWSQQLBK-LPYMAVHISA-N 392.371 3.555 50 40 GHGB C#CCOc1ccc(OC)cc1/C=N\NC(=O)C(c1ccccc1)c1ccccc1 409392481 PQTOSKIIXNSREU-ITYLOYPMSA-N 398.462 3.989 50 40 GHGB C[C@]1(C(=O)[C@@H](Br)[C@H](Br)c2cccc(Cl)c2)CO1 4940157 ZJAADAJXBRJTHI-JFGNBEQYSA-N 382.479 3.898 50 40 GHGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)OCO2 409093663 AGMLJCHAXAQRKV-ZBKNUEDVSA-N 381.215 3.885 50 40 GHGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccccc1-n1cccc1 409071562 KEKCSCCMHHLDET-LFVJCYFKSA-N 376.435 3.981 50 40 GHGB N#CCn1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c2ccccc21 35385871 HHUPNEPSKLKJFI-ROTLSHHCSA-N 384.361 3.876 50 40 GHGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(F)cc1 5289094 PMVANVFXBMFBOT-SSDVNMTOSA-N 377.803 3.622 50 40 GHGB COC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 100641403 WRLXJFJGOIUUER-SFHVURJKSA-N 398.440 3.591 50 40 GHGB COc1ccccc1C(=O)NNc1nc(-c2ccc(NC(C)=O)cc2)cs1 708624 QHMJYMIJYCWECJ-UHFFFAOYSA-N 382.445 3.534 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 1224352 HVILVKQOZSKKGT-UHFFFAOYSA-N 390.468 3.779 50 40 GHGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccs2)N2NC=C(C#N)C2=N1 9476657 FBRPJQXFMHSOCF-KRWDZBQOSA-N 395.875 3.995 50 40 GHGB N#CSc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(Br)c1 12809092 CBGHFUGZERKHEI-QWRGUYRKSA-N 381.251 3.628 50 40 GHGB C/C(=N\NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1)c1cccnc1 17078446 ZFZVATSJSSNCPU-MFKUBSTISA-N 384.443 3.586 50 40 GHGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccccc1Br 409067210 OJLCFAVCKNLSHC-CIAFOILYSA-N 390.256 3.952 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC)c1O[C@H](C)C(=O)O 409231956 LYJFPNLCCGIWDP-MTOJCTJASA-N 394.427 3.655 50 40 GHGB O=c1nc2n(nc1-c1ccc(F)cc1)[C@H](C(Cl)Cl)Nc1ccccc1-2 685943919 LXOZLHRSKCIBDI-MRXNPFEDSA-N 377.206 3.839 50 40 GHGB Cc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(O)c1 1424019 SMHIXLCAIXRDMI-BUVRLJJBSA-N 397.438 3.712 50 40 GHGB COc1ccccc1NC(=O)CSSCC(=O)Nc1ccccc1OC 3228711 FGBKWJFOYPBCPE-UHFFFAOYSA-N 392.502 3.662 50 40 GHGB C/C(=N\NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(-c2ccccc2)cc1 6685926 XWWRZRASBHSKJQ-PCLIKHOPSA-N 396.450 3.755 50 40 GHGB Cc1nc(C)c(C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)s1 71164218 UHCGZNMYOIQFEF-JAIQZWGSSA-N 399.347 3.808 50 40 GHGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408814234 OMAMLLOSCRBXEB-BRFSQIRFSA-N 379.416 3.995 50 40 GHGB N#C/C(C(=O)NCc1ccccc1)=C1/C(=O)N(Cc2ccccc2)c2ccccc21 409116814 MTGCUBUGYYSBSW-LNVKXUELSA-N 393.446 3.827 50 40 GHGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1 409266818 YPZSSDBOSCSXSV-HZHRSRAPSA-N 393.443 3.597 50 40 GHGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 59960010 JSFLFQKNEQRVCQ-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB CCOC(=O)c1ccccc1N/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 102676313 NMIIZVIHHDQTDT-QINSGFPZSA-N 390.848 3.767 50 40 GHGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CC#N)c2C)c1 20243776 OYSOFASGWYPSFF-UFFVCSGVSA-N 387.281 3.837 50 40 GHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1I 6183954 GAZDXELBWDNRMI-BAVRZAEBSA-N 382.245 3.568 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCCOc1ccc(C)cc1 13896599 HQMPJOSTNUTTFX-OQLLNIDSSA-N 386.835 3.507 50 40 GHGB COc1cc(Br)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c1O 4815544 GRGVHOIQKDNSOU-UFWORHAWSA-N 397.656 3.889 50 40 GHGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1ccc(-c2ccccc2Cl)o1 16741419 DNCBZPXKGDWDPF-WJDWOHSUSA-N 396.830 3.575 50 40 GHGB CCC[C@@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccc(Cl)cc1Cl 408947630 BDYNFMYVOITBFX-RBFBNPFJSA-N 389.279 3.844 50 40 GHGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 408789610 MWMIYJPMTJIYCL-ZSOIEALJSA-N 393.281 3.844 50 40 GHGB O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408904331 HZCTVRKMSVLANY-NDENLUEZSA-N 382.376 3.688 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2C#N)cc1 409138459 CBHISUMFIUZRBV-JOCHJYFZSA-N 397.434 3.952 50 40 GHGB O=C(N/N=C\c1ccc(OC(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 33342678 KUMBKGJQFRFXJV-HMAPJEAMSA-N 389.367 3.578 50 40 GHGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCC(=O)O 33936318 NTBDVNWCRPCIKQ-DHDCSXOGSA-N 377.400 3.798 50 40 GHGB COc1cc(-c2nc3ccc(NC(=O)CSC#N)cc3o2)cc(OC)c1OC 226328191 QVLCCEBKHOQISA-UHFFFAOYSA-N 399.428 3.673 50 40 GHGB O=C(CCCC[C@H]1CCSS1)NCc1ccc(Cn2cncn2)cc1 42036438 QRWFJXVSCZQTJS-KRWDZBQOSA-N 376.551 3.657 50 40 GHGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 6479495 JAGNPPPQKQPPBB-INIZCTEOSA-N 377.469 3.706 50 40 GHGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3C[C@H](C)O[C@H](C)C3)c2C)cc1 12565469 LDVLAAKXDMXVEK-WCMJNFEQSA-N 393.487 3.646 50 40 GHGB N#C/C(=C/c1cccn1-c1ccccc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408856223 JIWWZXPCCRDWND-GABAUZOBSA-N 378.439 3.685 50 40 GHGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)Nc1ccccc1 409216165 FVTHBYWDRSZGGU-MTJSOVHGSA-N 377.360 3.938 50 40 GHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(NC(C)=O)c1 6186282 VVHOJJUKHGDHCE-BUVRLJJBSA-N 385.423 3.574 50 40 GHGB CSc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 8169577 LXKJVGJXEUJTGR-VPNURPJOSA-N 387.892 3.565 50 40 GHGB Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3cccc(F)c3)cc2)cn1 33155051 PROVLXVFIJPXJL-MSXFZWOLSA-N 377.375 3.512 50 40 GHGB CCC(C(=O)N/N=C/C=C/c1ccccc1)C(=O)N/N=C/C=C/c1ccccc1 3112104 IURXEUPWBWGBQI-ZFYQWLEYSA-N 388.471 3.643 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc(OC)c1OC 3288776 ACTWFVAXLZPQFZ-XNTDXEJSSA-N 389.411 3.806 50 40 GHGB COC(=O)N/N=C/c1c(C)n(CCOc2ccccc2OC)c2ccccc12 4091874 FLFNXHZXKUJPAI-HYARGMPZSA-N 381.432 3.727 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1OCc1ccccc1 5795962 GQLULARHODIZIA-NRFANRHFSA-N 390.439 3.910 50 40 GHGB CSc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 6175095 ZJRLRKKCSTUTBQ-VCHYOVAHSA-N 375.475 3.700 50 40 GHGB C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(O)ccc1O 13322330 XQBVABKICVKPKO-VULFUBBASA-N 398.422 3.862 50 40 GHGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2cc(F)ccc12 44027080 JRBBIRUGSKEIDE-WJDWOHSUSA-N 375.403 3.933 50 40 GHGB C[C@@]1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CCc2ccccc2C1 72302666 UJCMDVMYWMBUHF-HXUWFJFHSA-N 388.920 3.775 50 40 GHGB CCOc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OCC(=O)OC 408605942 NPZKLAUKTWNTCZ-RVDMUPIBSA-N 377.400 3.578 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccs3)c2C)cc1 408741244 HSOPXSAEDUUAJM-CIAFOILYSA-N 381.457 3.706 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 969292 NBXXYAZUCAXBAA-MFKUBSTISA-N 387.439 3.776 50 40 GHGB O=C(CBr)Nc1c(Br)cc(F)cc1Br 1560679 XWYHSNCJPUYNEJ-UHFFFAOYSA-N 389.844 3.684 50 40 GHGB CC[C@@H](C)/C(C)=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 4865396 ROUYTPKJYMTPAB-SLDGYZHNSA-N 379.507 3.701 50 40 GHGB COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc(Cl)c1O 67192530 GQOLJISVODZUPG-ZVBGSRNCSA-N 376.840 3.509 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OC 89424194 LDPJXMAHXLGKTG-MLPAPPSSSA-N 386.791 3.601 50 40 GHGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 104068716 UKACCCYEAGDYNH-UYOCIXKTSA-N 387.720 3.587 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1 408725792 HWEIAHGWVSABBR-UDWIEESQSA-N 385.445 3.543 50 40 GHGB CCOc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OCC 409024134 XEBHFTFBKCKFAS-OYKKKHCWSA-N 393.443 3.561 50 40 GHGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Cl 409320105 PAKGWUUPCUGMFN-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB COc1ccc(CCNC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1 1736832 WIWCDGJLGFWBRR-UHFFFAOYSA-N 395.330 3.952 50 40 GHGB COc1cc(OC)c(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1Cl 38488022 QWWHZSKCJIFNJH-UHFFFAOYSA-N 376.821 3.648 50 40 GHGB O=C(N/N=C/C=C(\O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 100981158 KEQUIQNZCYEFOV-KNYYAHOCSA-N 390.193 3.672 50 40 GHGB CCCCCCCCOc1ccc(Cl)cc1/C=N/NC(=O)c1nonc1N 103782032 GTBYVPGSVLXUEA-CIAFOILYSA-N 393.875 3.808 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(C)cn23)cc1OCC 408979130 LMUPFFMVHIGKPH-YDZHTSKRSA-N 394.475 3.903 50 40 GHGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(=O)O 409076351 AXTLYWXWXXYHQU-LICLKQGHSA-N 394.383 3.859 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c(O)c1 409393172 UZUUGKXPXFOVGT-YDZHTSKRSA-N 377.444 3.881 50 40 GHGB O=C(NNC(=O)c1ccccc1Br)c1ccc(Cl)cc1Cl 671510 QWKOVVRELSLBIC-UHFFFAOYSA-N 388.048 3.831 50 40 GHGB COc1cc([C@H](O)P(=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC 3157678 RABRAJSHLFYTPR-JOCHJYFZSA-N 398.395 3.717 50 40 GHGB Cc1cc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)no1 3375833 DVRSFKOFSUHTMC-VCHYOVAHSA-N 398.463 3.536 50 40 GHGB CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(O)c3)[nH]n2)cc1 9008039 XWZCILHRNVDOIT-HYARGMPZSA-N 378.432 3.725 50 40 GHGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(CN2CCOCC2)cc1 23358587 JSBIJMLMNHJJDY-WSDLNYQXSA-N 392.286 3.590 50 40 GHGB CCC(CC)=NNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 55149633 XUHMDHHDNFZFCO-UHFFFAOYSA-N 378.520 3.915 50 40 GHGB CN(C(=O)C(=O)NNc1ccc(Cl)cc1Cl)[C@H]1CCc2ccccc21 58417027 JXOUSDPNZWHJPF-INIZCTEOSA-N 378.259 3.582 50 40 GHGB CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c2ccccc21 408567753 PMWSDKKMEZSBCB-ZMOGYAJESA-N 391.471 3.514 50 40 GHGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(C)c3)cc2)cc1 408839763 WGXAVHRKGMQMGE-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Cl)OCO2 409211223 IHKKOVLPGYZKAH-FBCYGCLPSA-N 383.256 3.965 50 40 GHGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 409241722 UBQFVBATDQBRAW-FMCGGJTJSA-N 394.362 3.614 50 40 GHGB COc1ccc(CSCC(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 409343336 GICAODSHJCGTEJ-UHFFFAOYSA-N 397.544 3.697 50 40 GHGB C[C@H](Br)CN(C[C@H](C)Br)c1cccc(C(=O)O)c1 1763041 PATGZEROBABVTJ-UWVGGRQHSA-N 379.092 3.758 50 40 GHGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(F)F 706799 NXIVKHLVRZRWGJ-MRXNPFEDSA-N 376.359 3.501 50 40 GHGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)OC 6961011 XLOQSPSXEMHVHP-YBEGLDIGSA-N 382.372 3.609 50 40 GHGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)cc1 12565465 LDVLAAKXDMXVEK-FNPLVTCOSA-N 393.487 3.646 50 40 GHGB BrC[C@@H]1Cn2c(nnc2-c2ccc(Br)cc2)S1 1462604 GGDACUWGQXQPNB-SECBINFHSA-N 375.089 3.577 50 40 GHGB CN1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@H]2CC1 35239427 RHHRZOYFRPZABQ-BDJLRTHQSA-N 384.270 3.696 50 40 GHGB C=CCn1c(C)c(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc21 408917974 DKZHUBRTBRNMMB-MTJSOVHGSA-N 378.388 3.513 50 40 GHGB COc1cc(C=O)cc(Br)c1OC(=O)/C(C#N)=C/c1ccccc1 408752018 DQYBTVJKEMZTFZ-VGOFMYFVSA-N 386.201 3.783 50 40 GHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408971277 FEGBVMLYAHQZAD-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)c(C)s2)cc1C 1085514 DXAITMXQJVTKNU-QGMBQPNBSA-N 381.295 3.965 50 40 GHGB C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)c1cccc(C)c1O 4671629 PTSAAFHSWNUPKB-BUVRLJJBSA-N 375.428 3.988 50 40 GHGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccc(Cl)cc1 20248909 AIQWRYJWUIYHAM-DJKKODMXSA-N 393.852 3.640 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1O 33429886 ZEJJECGHLAQCTD-WDZFZDKYSA-N 391.196 3.848 50 40 GHGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cc(C)cc(C)c1 409238847 MDPXSJPVCVNWOQ-UYRXBGFRSA-N 391.471 3.694 50 40 GHGB Cc1c(Br)cc(/C=N/NC(=O)c2ccco2)cc1Br 4545177 QIBPFKNMOWQJME-FRKPEAEDSA-N 386.043 3.877 50 40 GHGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 3196548 QGKDZRDEWYARGV-HYARGMPZSA-N 375.384 3.938 50 40 GHGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 3212189 FQOQDDMDPMTXEP-SSDVNMTOSA-N 382.807 3.964 50 40 GHGB Cc1ccc(-n2nc(C)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c2Cl)cc1 808869 VKBWFFOVQANUIK-GOSISDBHSA-N 394.862 3.957 50 40 GHGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccccc1)C(C#N)=C(N)O2 1471949 RTSCUGALQTUXSB-OAQYLSRUSA-N 383.451 3.618 50 40 GHGB biogenic COc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)cc1 1501163 ONIMOEZAMJHTHD-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB Cc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)o1 2740681 KYQZWJILSFCPKD-AWQFTUOYSA-N 377.231 3.904 50 40 GHGB COc1ccccc1NC(=O)CCC(=O)N/N=C/c1cccc2ccccc12 2750914 RXKANFXTWPNEIP-HZHRSRAPSA-N 375.428 3.717 50 40 GHGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1cccc(C)c1 4459903 XSKXAGWISGBKCN-FYJGNVAPSA-N 388.265 3.892 50 40 GHGB N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2cc(F)ccc12 40139948 JRBBIRUGSKEIDE-LFIBNONCSA-N 375.403 3.933 50 40 GHGB O=C(NNC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccccc1 40143106 VPHLTLMMOBBHNZ-UHFFFAOYSA-N 392.640 3.659 50 40 GHGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc2c1OCCO2 58915812 QCXAPEVBXNJHGS-DQAKUKQTSA-N 376.865 3.742 50 40 GHGB N#CCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 59140226 LMVSBJGTGSBJCP-UFFVCSGVSA-N 390.212 3.531 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1 408982534 YLCFIUIXOUGWJX-NGIIGVMLSA-N 395.459 3.579 50 40 GHGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCC(=O)O 409046663 LECDZZVNYDDZJU-WUXMJOGZSA-N 383.791 3.752 50 40 GHGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 5072343 WTNMYNDZHRTRNX-SRZZPIQSSA-N 399.907 3.686 50 40 GHGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1 4700335 CCKRPGXRDHDZPK-JJIBRWJFSA-N 387.439 3.987 50 40 GHGB O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc2cc[nH]c12 5946975 VSESOEXDCUQAIU-ROMGYVFFSA-N 394.434 3.849 50 40 GHGB CCOC(=O)[C@@H](C#N)C1=C(/C(SC)=C(/C#N)C(=O)OC)CCCCCC1 5717214 MDWYNJSUBPDOHG-KAVGDXJESA-N 376.478 3.654 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 5899982 LMYHJWIARFDJGT-WSDLNYQXSA-N 382.803 3.991 50 40 GHGB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCl)cc1OC 5107076 UIOVCXFCUKYIKP-UHFFFAOYSA-N 388.807 3.880 50 40 GHGB C/C(=N\NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(-n2ccnc2)cc1 1005647 TUWSURXGUJBGDB-BUVRLJJBSA-N 385.427 3.990 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2cccs2)cc1CSc1ncccn1 5163969 TWNFGXMOMXIMSQ-LPYMAVHISA-N 398.513 3.993 50 40 GHGB C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccccn1 6049204 NJBLJHJSSOBOTP-HYARGMPZSA-N 375.457 3.944 50 40 GHGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)cc1 12565467 LDVLAAKXDMXVEK-WGQIQHNGSA-N 393.487 3.646 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1 23402685 NRGWXRUKOWROQT-GHRIWEEISA-N 386.407 3.957 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1cccc([N+](=O)[O-])c1 59334774 JISCWNVSWHRUQX-UNOMPAQXSA-N 391.427 3.897 50 40 GHGB COc1ccc(CSCC(=O)N/N=C/c2ccc(Br)cc2)cc1 59473092 BUIYGIJZMWOIDU-VXLYETTFSA-N 393.306 3.841 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 408586004 AGBUNOGBZLSREX-VMHRPQTGSA-N 381.863 3.931 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)O 408792763 CBACQKSVKNFZRA-LICLKQGHSA-N 394.427 3.711 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 409262125 FIFALCPRFGHXDU-DXRSZSRVSA-N 399.878 3.632 50 40 GHGB Cc1ccc2nc(-c3ccc(NC(=S)NNC(=O)C4CC4)cc3)sc2c1 2662792 JYPSVBIQBLLBGA-UHFFFAOYSA-N 382.514 3.999 50 40 GHGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1 4878806 LRLBSMBIFMDGEI-BKUYFWCQSA-N 399.907 3.768 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4cccc(Cl)c4)ncnc32)c(C)c1 7393266 ZGWQWURMPPKRSD-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB O=C(CCSc1ccc(F)cc1)NNC(=O)CCSc1ccc(F)cc1 40160801 ZRPDRPSMARLKIK-UHFFFAOYSA-N 396.484 3.777 50 40 GHGB O=C(O)[C@](Br)(CBr)c1ccc(Br)cc1 98088491 MRSRROSCOUYRBO-VIFPVBQESA-N 386.865 3.519 50 40 GHGB CCCCCC[C@H](C)Oc1ccc(Cl)cc1/C=N/NC(=O)c1nonc1N 408976212 PTNQPPKUMQVGOA-OVMKCGGTSA-N 393.875 3.807 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccc(OC)cc2)o1 408993769 FPAQRZWPFDAHJJ-UDWIEESQSA-N 375.494 3.518 50 40 GHGB Cc1cccc(C(=O)NNC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c1 409000735 FPJSSWWSNIFODW-CCEZHUSRSA-N 399.450 3.722 50 40 GHGB CCOc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(F)cc2)cc1OC 818312 AWDZGIYAWRVARF-SFHVURJKSA-N 399.447 3.533 50 40 GHGB Cc1ccc(-c2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)o2)cc1[N+](=O)[O-] 409232434 HTCYBKBWRYTXNB-UUYOSTAYSA-N 381.363 3.995 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(C)C 6209983 OIQKJKYQLBBZIW-MHWRWJLKSA-N 380.400 3.726 50 40 GHGB Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)OCc2ccccc2)=C1C#N 9329660 ODTJJAKPQLYFFU-GOSISDBHSA-N 392.480 3.810 50 40 GHGB COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 8382608 KWQIMTXJNMFFDE-MRXNPFEDSA-N 380.354 3.582 50 40 GHGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OC 8227295 XPSCAPVXAQSTGE-UFFVCSGVSA-N 397.258 3.930 50 40 GHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 5481015 SBWFSDULOMPOPU-BUVRLJJBSA-N 387.439 3.988 50 40 GHGB O=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)C(Cl)Cl 2774817 LGYDQVLLZUGSDU-UHFFFAOYSA-N 378.609 3.743 50 40 GHGB CCOc1cc(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)c1O 4775411 IZFWJCXBHPLPBI-OCKHKDLRSA-N 397.656 3.971 50 40 GHGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)CCOC)ccc21 4869717 PUYHOWDOOVHZHE-BUVRLJJBSA-N 394.475 3.672 50 40 GHGB Cc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccccc1 8571379 LHJNMZRJPWYMLS-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB O=C(N/N=C/c1ccccc1Cl)c1ccc(I)cc1 10118435 RAJHFZLSDWGBER-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB COc1ccc(OC)c(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 11692044 WJJMBXVHSKGYTG-RVDMUPIBSA-N 378.837 3.608 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 408588869 KGYFLEMZWOPUHT-FSJBWODESA-N 397.862 3.930 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1O 408948225 FBNWPXXWGIKSEZ-BOPFTXTBSA-N 375.428 3.538 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc1 408985054 LBNRLLAPSLJQOA-LDADJPATSA-N 378.428 3.791 50 40 GHGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 409361241 BMFDGRVFWCAIEX-BUVRLJJBSA-N 390.439 3.988 50 40 GHGB CCOc1cc2c(cc1/C=N/NC(=O)c1cc3ccccc3cc1OC)OCO2 33597186 MBHCRKWNWAKHJI-FSJBWODESA-N 392.411 3.740 50 40 GHGB CCOc1cc(C(=O)N/N=C(\C)c2cccc(O)c2)cc(OCC)c1OCC 695758 QEDJMLLMSYFCSH-HYARGMPZSA-N 386.448 3.742 50 40 GHGB COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)c1 719146 HYWZEQIDWJVDLE-INIZCTEOSA-N 378.457 3.982 50 40 GHGB Cc1cccc(-n2ncc3c(NNC(=O)c4ccc(Cl)cc4)ncnc32)c1 4355150 CWLSZBWMUFIEBV-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 5515441 YEBKZRHXMNMLOI-NTOSSWPYSA-N 379.825 3.585 50 40 GHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 7782384 ZHVVIFVGOFRKKW-SRZZPIQSSA-N 392.242 3.647 50 40 GHGB COc1ccccc1[C@@H]1CC(=O)N2C(=C1C#N)SC[C@]2(O)c1ccc(C)cc1 12275557 RMFKKZWNVMFQOR-JTSKRJEESA-N 392.480 3.647 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCOc2ccc(OC)cc2)c1C 96125813 DANXNGOITWEYPI-XMHGGMMESA-N 381.476 3.626 50 40 GHGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl 216749194 CQDBEGXVVIAMIO-UHFFFAOYSA-N 392.242 3.579 50 40 GHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Br)OCO2 408718835 AGAULUGKAFWENK-UFWORHAWSA-N 395.640 3.524 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 4561356 WKURCBMBACJUCR-LPYMAVHISA-N 392.415 3.531 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccccc1F 6961600 ZIMTUEMEJVVWFS-GZTJUZNOSA-N 380.419 3.989 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2C)c1C 9201474 UFSLEDCPILCXQZ-ZVHZXABRSA-N 389.455 3.953 50 40 GHGB CCOC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409209253 IJCRTMCAWIZCJN-SXGWCWSVSA-N 382.372 3.652 50 40 GHGB COCCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccccc1Cl 20029544 KPLJERVPZWAPLG-INIZCTEOSA-N 378.881 3.589 50 40 GHGB O=C(O)CC1(CC(=O)NNC(=O)c2cc(Cl)ccc2Cl)CCCCC1 24151016 GKUYSQRXCYHEHM-UHFFFAOYSA-N 387.263 3.570 50 40 GHGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1 34878656 LJCRCRXUGXAQNY-UNOMPAQXSA-N 379.460 3.702 50 40 GHGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC)c(OC)c1 408868297 LTSKIQQGJAPUED-OVCLIPMQSA-N 386.835 3.589 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1Cl 409052532 UOWZRZWIWXLYQN-DNTJNYDQSA-N 381.215 3.529 50 40 GHGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 409373522 VESRHVUFIIKTDY-QGOAFFKASA-N 377.400 3.703 50 40 GHGB CCc1ccc(CC(=O)N/N=C\c2cccc(I)c2)cc1 409363293 LHOZXNXDNAAIIF-UNOMPAQXSA-N 392.240 3.546 50 40 GHGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1 6477636 BTALEVSDWQDIDE-HNNXBMFYSA-N 395.459 3.845 50 40 GHGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cccc(OCc2ccccc2)c1 216943500 APPCDUSSPDXJGY-UHFFFAOYSA-N 399.450 3.821 50 40 GHGB CC(/C=C/c1ccccc1)=N\NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 5516920 MMDPWNGMXKMMJB-LHHFMTGBSA-N 380.404 3.519 50 40 GHGB COc1ccc(OCC(=O)N/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 208437400 QRTOAUMWTALNOH-OYKKKHCWSA-N 393.487 3.856 50 40 GHGB N#CSCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Br 226328269 MQUMXDDYZZWBHM-UHFFFAOYSA-N 389.234 3.805 50 40 GHGB C=CCc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O 3084732 ZGCLLSAZMALJCL-KOEQRZSOSA-N 386.451 3.507 50 40 GHGB CCN1CCC(=NNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 55074113 NGMNECDQEUZWGV-UHFFFAOYSA-N 378.687 3.614 50 40 GHGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 408743554 BBLJIZRDNUJHNC-GHXNOFRVSA-N 387.779 3.811 50 40 GHGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)Cc2cccc3ccccc23)cc1 12973638 MJNGSPCPGMSRFK-UHFFFAOYSA-N 396.512 3.690 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl 4618109 UPHUCHBORZXSJV-KPKJPENVSA-N 387.779 3.811 50 40 GHGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC(N)=O 409244786 IRZUKRCFCRCEPV-QPEQYQDCSA-N 390.226 3.674 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OCC 409361092 GPTHRVWJJVSDHV-WSDLNYQXSA-N 375.856 3.700 50 40 GHGB O=C(CCCC(=O)N/N=C/C=C\c1ccccc1)N/N=C\C=C/c1ccccc1 17419905 NYYGHPIEMYUHCN-KQNHRJKNSA-N 388.471 3.788 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1 1227746 IVHMLVDGGGXOTD-UDWIEESQSA-N 390.281 3.765 50 40 GHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccco2)c1 1445087 RJEQQTNLLNIGGL-YDZHTSKRSA-N 392.411 3.645 50 40 GHGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(Br)cc1 1462607 YBCVECBGJIPYML-CAOOACKPSA-N 398.054 3.681 50 40 GHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2[N+](=O)[O-])cc1 2278066 GFQWFVXBSIWKFI-IBGZPJMESA-N 387.399 3.616 50 40 GHGB Cc1nc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)sc1C 9287887 XGFAFRIQQSPSTB-JQAFLVLXSA-N 385.327 3.857 50 40 GHGB Cc1cc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)on1 10216591 MYFTWIURDBFQIY-VCHYOVAHSA-N 398.463 3.536 50 40 GHGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 33560976 OCVDXYIFSPLBSM-FXBPXSCXSA-N 393.439 3.651 50 40 GHGB O=C1[C@@H]2C[C@H]3[C@H]4[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@](Cl)([C@@H]13)[C@]4(Cl)C2(Cl)Cl 95868179 IZHZFAQWVKBTSL-RAMUUPHFSA-N 380.913 3.809 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N\NC(=O)c2ccc(Cl)cc2)c2ccccc21 96481712 GHECHCGBMCGEEV-FMCGGJTJSA-N 397.862 3.930 50 40 GHGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 408719215 ADAITMCOXUGZCQ-OEAKJJBVSA-N 385.895 3.855 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 408794006 HNFKNLTYYXLJEK-QGOAFFKASA-N 378.428 3.737 50 40 GHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccc(C#N)cc2F)o1 408967590 RCYBNXRGNUHUEP-KSEXSDGBSA-N 392.346 3.938 50 40 GHGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)Nc1ccccc1 409162342 DAPYGVKJZFOIPQ-NBVRZTHBSA-N 398.466 3.809 50 40 GHGB O=C(c1cccc(OC(F)(F)F)c1)[C@H](Br)CBr 575359227 WHEOFXNRSSGRIK-MRVPVSSYSA-N 375.966 3.926 50 40 GHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 6323785 SGBGMKTVVCBKFD-INIZCTEOSA-N 389.496 3.546 50 40 GHGB COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccccc4O)cc3C2)cc1 105360024 SIZZQALENMLYOA-CFRMEGHHSA-N 387.439 3.685 50 40 GHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(I)cc1 408721668 WUISSSHOZTWDBD-QUYNDJIQSA-N 382.245 3.568 50 40 GHGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c2ccccc21 408789103 JHUDNJYOTCLMHD-BOPFTXTBSA-N 387.439 3.977 50 40 GHGB CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OCC)c1 658677 PJTUQXTVVDLGLA-IBGZPJMESA-N 382.460 3.935 50 40 GHGB COc1ccc2c(c1)[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](Br)C2=O 4934197 KIVGMRXRLDTYRC-WCZJQEMASA-N 381.266 3.804 50 40 GHGB O=C(NNC(=S)Nc1ccccc1)c1cc(-c2cccnc2)nc2ccccc12 5573479 YQKQZQVSYUFWBA-UHFFFAOYSA-N 399.479 3.928 50 40 GHGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc(Cl)c1O 5953404 ZVTXKRWFKIJIHT-ZVBGSRNCSA-N 397.258 3.935 50 40 GHGB O=C(CCCc1cccs1)NNC(=O)CSc1cccc2cccnc12 9995968 BNZNBARNAMGJPK-UHFFFAOYSA-N 385.514 3.559 50 40 GHGB C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 25424557 UIUIBJVCOYBWNS-HKAMVVMJSA-N 396.520 3.509 50 40 GHGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 34870028 LIYTVWRXLBXQIE-QRVIBDJDSA-N 375.428 3.865 50 40 GHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(O[C@@H](C)C(=O)O)cc1 100216299 DCNBXWWNPKTTHA-TUTDSIAXSA-N 386.411 3.547 50 40 GHGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCC#N 106202575 JVORLYHZLQHWRY-NVNXTCNLSA-N 383.411 3.606 50 40 GHGB COc1ccc(-n2cccc2/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1 408851649 FFKHHACNFQSAPF-ZVHZXABRSA-N 376.460 3.665 50 40 GHGB COc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 1431121 QLYRMHVPOVNSDQ-ZVHZXABRSA-N 391.402 3.851 50 40 GHGB CCOC(=O)[C@@](C)(Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 1610666 MVGFKXXKGBIFIE-JQWIXIFHSA-N 395.047 3.748 50 40 GHGB O=C(N/N=C/c1cccs1)c1csc(Cn2cnc(Cl)c2Cl)n1 2556019 WWNSGHLPSRXIKQ-HAVNEIBRSA-N 386.289 3.520 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2ccc(Br)cc2)cc1 3147919 JUCXXKWQPZXKRD-VXLYETTFSA-N 393.306 3.841 50 40 GHGB CCCSc1nc(NNC(=O)C2CC2)c2c3c(sc2n1)COC(C)(C)C3 5157590 ZQMOATMRJOMCPT-UHFFFAOYSA-N 392.550 3.898 50 40 GHGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C)c(C)c3)c2C)no1 8015805 IKXKNJNQPOIKRZ-SSDVNMTOSA-N 380.448 3.537 50 40 GHGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 16689695 VFRUMLCLMVLELE-SWEXZPIWSA-N 397.887 3.512 50 40 GHGB O=C(N/N=C/C(Br)=C\c1ccccc1)c1nnc(-c2ccccc2)o1 63423398 AQMKIYRVMJZDPZ-KFURHSOJSA-N 397.232 3.888 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1 408587922 HTAGOQYHRPCROE-YDZHTSKRSA-N 394.406 3.834 50 40 GHGB CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OC 408758593 NJLFPLWCXDGSQQ-FSJBWODESA-N 380.366 3.806 50 40 GHGB CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Cl 409313443 BRJUVHLARFTKRZ-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB COC(=O)c1cccc2[nH]cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c12 61720517 QEIMORNAZSWJIS-JLHYYAGUSA-N 375.384 3.509 50 40 GHGB CCC[C@H](C(=O)OCC)/C(C)=N/NC(=O)COc1cc(C)ccc1C(C)C 4860460 UJHGEOCSGLVZHZ-RMDTYCCRSA-N 376.497 3.969 50 40 GHGB COC(=O)[C@H]1C(=O)NC(SCc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1 409143701 DJJVARIECKBJQQ-RBUKOAKNSA-N 392.480 3.666 50 40 GHGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C 408590524 PIZLRQGPOYCQJF-LPYMAVHISA-N 379.416 3.628 50 40 GHGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408720171 VFBMHYRPUQCNOM-OEAKJJBVSA-N 385.895 3.855 50 40 GHGB CCCCOC(=O)Nc1ccc(S[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 255189262 OSGAMGZLNOXEFE-UONOGXRCSA-N 377.915 3.532 50 40 GHGB C/C(=N/NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(Br)cc1 5725161 MBAYGTIWWPWXRB-JMIUGGIZSA-N 394.656 3.581 50 40 GHGB O=C(COc1ccc2ccccc2c1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5578980 HLCAHNFYTDYDEE-UHFFFAOYSA-N 392.499 3.973 50 40 GHGB CC(C)c1ccc(/C=N\NC(=O)C(=O)N/N=C\c2ccc(C(C)C)cc2)cc1 31637061 RCDGMYPJVTWVFH-GACBQCINSA-N 378.476 3.534 50 40 GHGB N#C/C(=C/c1ccc(I)cc1)S(=O)(=O)c1ccccc1 32120388 QXQLYWNZNXOESR-GDNBJRDFSA-N 395.221 3.630 50 40 GHGB C=CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 33551169 NBPDSFNKPQUKAZ-BWAHOGKJSA-N 386.451 3.638 50 40 GHGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c1 408782239 GJHRXGMYMGOTOY-GRSHGNNSSA-N 379.460 3.621 50 40 GHGB CCOc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408903988 CAYIWRIZLILYLI-JAIQZWGSSA-N 383.360 3.512 50 40 GHGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1Cl 409314292 FQUFYMJVYWZKQP-UCQKPKSFSA-N 398.846 3.689 50 40 GHGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 409367512 CNOSTNXYGASNKK-SRZZPIQSSA-N 377.227 3.778 50 40 GHGB N#Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1 1434148 WJRQBSUJXNHVIB-AFUMVMLFSA-N 386.386 3.714 50 40 GHGB Cc1ccccc1CSCC(=O)N/N=C/c1cccc(OC2CSC2)c1 4502514 PDXPJWNYXMXQAE-UFFVCSGVSA-N 386.542 3.873 50 40 GHGB C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1cccc(C)c1O 5508976 SSHZOHKYJIAHAY-WYMPLXKRSA-N 393.365 3.854 50 40 GHGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)cc1 7159847 IXUCDPHTNLXUBK-JJEHFPDLSA-N 393.487 3.695 50 40 GHGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1[C@H]2CCCC[C@@H]12 17970449 RVJPGVKAOILTNG-MPYYAJLASA-N 385.291 3.736 50 40 GHGB COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(O)cc4)cc3C2)cc1 408734368 YYJIBBPZGPKFCV-CFRMEGHHSA-N 387.439 3.685 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Br)o3)cc2c1 409187093 LWYBGTRZVHYZRS-NVMNQCDNSA-N 377.194 3.951 50 40 GHGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 803834 SZPJLTNZFZFIRL-OAQYLSRUSA-N 379.423 3.947 50 40 GHGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1ccc(Cl)c(Cl)c1 984127 WDTKISIYEAVRCV-AWEZNQCLSA-N 382.272 3.940 50 40 GHGB N#CC1=C(N)Nc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Br)cc1 1070325 KMBPMDRMEHVHTJ-OAHLLOKOSA-N 394.228 3.807 50 40 GHGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccncc1 1084919 YAUDEZHYJXJXDI-SRZZPIQSSA-N 384.233 3.526 50 40 GHGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc2c1CCC2 4037170 MCNMIGCZDXGYSK-JLHYYAGUSA-N 382.441 3.578 50 40 GHGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccccc2)c1C 4550698 LXGNEUUPABVQHF-ZVHZXABRSA-N 389.455 3.794 50 40 GHGB C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1cccs1 4737993 YJYMYZRTHLHMBM-LFVJCYFKSA-N 391.496 3.537 50 40 GHGB CCO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C\c1ccccc1Br 5316545 DBJYWEVDTLBXME-XNZYXVICSA-N 387.277 3.851 50 40 GHGB CCOC(=O)/C(C#N)=C(\SC)C1=C([C@H](C#N)C(=O)OC)CCCCCC1 5472261 QKZJVFQQKFYLDD-WETROCKMSA-N 376.478 3.654 50 40 GHGB CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)ccc21 7894546 CFSWCGAXWPDAQX-YDZHTSKRSA-N 380.448 3.536 50 40 GHGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 27562895 BNHRKUGIBFFYHX-JTQLQIEISA-N 382.203 3.819 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59678478 DHYODLNCQOFHLQ-FOKLQQMPSA-N 396.834 3.605 50 40 GHGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408815710 UCTRLPIHZPTENI-XNTDXEJSSA-N 379.372 3.714 50 40 GHGB Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)/C=C/c2ccccc2)cc1 408995729 DLGGQOAFBPMAAH-DTQAZKPQSA-N 399.450 3.722 50 40 GHGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)cc1 646932 KIJYYLXJEUTJHX-SFHVURJKSA-N 388.427 3.702 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1 667146 CRJDUHXIENCKME-OAQYLSRUSA-N 390.439 3.910 50 40 GHGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)c1 2743051 KEELZXMQWGRDCU-AWQFTUOYSA-N 391.265 3.609 50 40 GHGB COc1cc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 3279067 TZEPYRFVSDKNBZ-AWQFTUOYSA-N 383.231 3.783 50 40 GHGB COc1cc(C(=O)NNc2nc3ccc(Cl)cc3s2)cc(OC)c1OC 4121416 BLCOVLLJROKASR-UHFFFAOYSA-N 393.852 3.732 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@H]1c1ccc(F)cc1 6495741 DTPBHXGXFDGESK-AWEZNQCLSA-N 399.422 3.675 50 40 GHGB CC(=O)Nc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 18084029 HLHCPSGYPUZSLK-GZTJUZNOSA-N 375.837 3.549 50 40 GHGB CC[C@H](Br)C(=O)Nc1nc2ccc(OCCCOC)cc2s1 20132445 IAKUIYJFPBTTLK-NSHDSACASA-N 387.299 3.824 50 40 GHGB C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(C#N)cc1 20885164 XXKBBJQKXTWIRJ-QPJQQBGISA-N 382.638 3.650 50 40 GHGB CCOC(=O)NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 24977427 GGJGPHRLSZVVSK-UHFFFAOYSA-N 398.850 3.643 50 40 GHGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(N2CCCC2)cc1 33571142 ARBKRDXXHQJCKO-OYKKKHCWSA-N 375.394 3.998 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1Br 408762293 AMHXTXRAAWKFJE-VXLYETTFSA-N 377.238 3.539 50 40 GHGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(N)=O 408881389 KXNIBPCFMDUWLH-NTUHNPAUSA-N 375.197 3.559 50 40 GHGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cccnc1 2257292 KGPFMYFWOLNXBG-CQSZACIVSA-N 383.333 3.504 50 40 GHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(O)c2)c(C#N)c1C 408547146 SASZDSLJCVJJMK-VGOFMYFVSA-N 380.425 3.529 50 40 GHGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 36107997 GPTPIFPDFXEFAN-SRZZPIQSSA-N 375.340 3.964 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)c(O)c1 409393274 WRXALYOSLUIYEK-ZMOGYAJESA-N 377.444 3.895 50 40 GHGB O=C(N/N=C/c1ccc2ccccc2c1)[C@H](O)c1ccc(Br)cc1 3167475 ZKZOAYZUEVOERV-AGKWGAAGSA-N 383.245 3.786 50 40 GHGB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2ncccc2c1 15974694 ZDNRVWRQTZBKBP-ACABLFCKSA-N 384.480 3.624 50 40 GHGB Cc1cccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)c1C 30838861 LODNUTXKOOXWPT-QRVIBDJDSA-N 392.411 3.645 50 40 GHGB CCC(=O)O[C@@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br 1614607 MHTNNNUSJAXYQC-FUXBKTLASA-N 394.059 3.956 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(F)cc1 6961300 XGRHZZUNTJUMLA-GZTJUZNOSA-N 380.419 3.989 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccccc2)c1C 1106129 INWSSGBSRGOBLT-BUVRLJJBSA-N 389.455 3.574 50 40 GHGB CCc1cc(SC#N)cc(CC)c1NC(=O)CN1C(=O)c2ccccc2C1=O 3400150 ZYIMUPCBANVCPL-UHFFFAOYSA-N 393.468 3.619 50 40 GHGB O=C(CSc1ncn[nH]1)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 4735021 VVBOIICOBQMFAS-AUEPDCJTSA-N 385.452 3.945 50 40 GHGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] 408568398 TUWPFEQJMRFZMD-JAIQZWGSSA-N 394.343 3.835 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)NCc2cccnc2)ccc1OCc1ccccc1 39383908 DCJOFTBKFMCPDZ-MTJSOVHGSA-N 399.450 3.893 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 13598183 MWAHWQTUANNCTD-SRIJWZPRSA-N 392.480 3.984 50 40 GHGB Cc1ccc(S(=O)(=O)Oc2c(C=C(C#N)C#N)n(C)c3ccccc23)cc1 2074914 OEWIJMRTVVDJAX-UHFFFAOYSA-N 377.425 3.685 50 40 GHGB C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 4652098 HKIVHGLOYHDWGN-VLRQGWLQSA-N 389.377 3.831 50 40 GHGB CCCCn1nc(C)c(/C=N/NC(=O)CN2CCCc3ccccc32)c1Cl 7782057 NSBJOYVFOLXLJH-LPYMAVHISA-N 387.915 3.548 50 40 GHGB N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1ccc(F)cc1 9329847 GTHKWNGXZFGQSP-QGZVFWFLSA-N 396.443 3.641 50 40 GHGB COc1ccc2sc(NC(=O)/C(C#N)=C/c3ccc(N(C)C)cc3)nc2c1 12618151 DRDYVFKVCQPGBY-GXDHUFHOSA-N 378.457 3.917 50 40 GHGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1cc(-c2ccccc2Cl)on1 48353482 YEJMIIMPHWSKKM-UHFFFAOYSA-N 387.848 3.620 50 40 GHGB COc1cc(Br)c(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1OC 408981116 ZMTJLFQFDHHBLG-AWNIVKPZSA-N 390.237 3.527 50 40 GHGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccccc1C 4416402 SXPWJEYWCGZVCJ-OEAKJJBVSA-N 387.867 3.857 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)c3ccccc23)c1 4959609 AVFLHMGAGZICDR-GDNBJRDFSA-N 389.411 3.670 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c(O)c1 5261348 PHUQUYGZXDVVEU-WSDLNYQXSA-N 389.883 3.729 50 40 GHGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(I)cc1 10118436 CKFWEGPIFOBZGI-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB COc1ccccc1/C=C/C=N\NC(=O)c1cc(-c2ccccc2OC)n[nH]1 33929219 NAXJUTRAKZOSIW-KIMCNIAYSA-N 376.416 3.523 50 40 GHGB Br[C@@H]1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@H]2[C@H]1[C@H]3[C@H]4C2(Br)Br 252694697 OJQKYGJVEGFZFY-CKTJNFDASA-N 382.921 3.624 50 40 GHGB CCOc1ccc(CC(=O)N/N=C\c2ccc(C)c(Br)c2)cc1 408711936 RGZAJIQSOQSJGQ-NDENLUEZSA-N 375.266 3.849 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3c(OC)cc(OC)cc3OC)cc2c1 409186951 KBGWDVJTBBNLKO-UUYOSTAYSA-N 398.415 3.621 50 40 GHGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)N1CCOCC1 409244306 AXCQRGUETMTIOS-DEDYPNTBSA-N 389.430 3.594 50 40 GHGB O=C1c2cccc3c(NC[C@@H](O)CCl)ccc(c23)C(=O)N1c1ccccc1 3131365 PTMMHJMONMETLT-AWEZNQCLSA-N 380.831 3.652 50 40 GHGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc(OC)c3)c21 5248807 FXPDTUWMFGCWQV-SFHVURJKSA-N 388.427 3.702 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 59473148 YWWKJWGYIAVZAL-ZICWZVMQSA-N 376.865 3.758 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c2ccccc21 101714666 WNFAFUPUXHDCRT-JOGNYUGASA-N 395.503 3.789 50 40 GHGB N#C/C(=C/c1ccc(N2CCCCCC2)o1)C(=O)Nc1cccc(C(=O)O)c1 408544853 VPUWPGPUXZVERR-SSZFMOIBSA-N 379.416 3.904 50 40 GHGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] 408771592 HMENWWCOALHGSH-DHDCSXOGSA-N 381.388 3.936 50 40 GHGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)NCc1ccccc1 409240305 SKGTZHDPJFHCMB-ZHZULCJRSA-N 375.472 3.909 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(O)c1 409391038 HDVQVJXRXXRRKE-SRZZPIQSSA-N 395.371 3.641 50 40 GHGB C/C(=N\NC(=O)Nc1ccc(C(=O)O)cc1)c1c(C)nn(-c2ccccc2)c1C 584907207 HNVPAIATGZTGAT-YDZHTSKRSA-N 391.431 3.733 50 40 GHGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1994693 SLEGGHNVEUMMND-REZTVBANSA-N 383.147 3.574 50 40 GHGB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)NNC(=O)c1ccco1 4849500 XBBNZJZREBEWHT-UHFFFAOYSA-N 383.473 3.560 50 40 GHGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17080841 YDIYWMZITSBOND-IRXDYDNUSA-N 395.459 3.669 50 40 GHGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 45480711 NJVDVSSVKOEZEL-UHFFFAOYSA-N 391.309 3.556 50 40 GHGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccco4)cc3C2)cc1 58872036 SWCSJAASCLPCTK-YDZHTSKRSA-N 375.428 3.962 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1OCC 408527177 FHYIDGIPCUWPPV-ZMOGYAJESA-N 399.878 3.621 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C#N)cc1F 408967764 RZLIMMJXGWIYHQ-UFFVCSGVSA-N 390.212 3.622 50 40 GHGB CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409239766 QGEFSCFIEJCXRF-JAIQZWGSSA-N 379.229 3.680 50 40 GHGB CCn1c(C)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc21 409259698 CSBHQMJZSBLRLB-CIAFOILYSA-N 380.404 3.650 50 40 GHGB COCCCNC(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccccc2Cl)c1 3288532 FDZNMSDEHHWHKG-FOWTUZBSSA-N 397.862 3.652 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2cccc(I)c2)cc1C 409181708 FFBIPEXWDLDOGL-YBFXNURJSA-N 392.240 3.601 50 40 GHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)cc1 408797827 UBFSYWBIKZXLIB-DTQAZKPQSA-N 379.416 3.602 50 40 GHGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 213495851 DDQZNYIOQXARCT-TWGQIWQCSA-N 377.150 3.697 50 40 GHGB CCCc1nn2c(/C=N/NC(=O)c3ccncc3)c(-c3ccccc3)nc2s1 41074127 NRWXSJFUICKAPB-LPYMAVHISA-N 390.472 3.569 50 40 GHGB O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1F 15790181 TZILVMVWHSCTIP-UHFFFAOYSA-N 386.386 3.511 50 40 GHGB COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cccs2)cc1 3427188 ZGEWSJZLMPMDPC-LPYMAVHISA-N 394.452 3.878 50 40 GHGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccccc1C(F)(F)F 6258546 YCIDLIFGPDMOLJ-UKTHLTGXSA-N 390.317 3.714 50 40 GHGB COc1cccc(/C=C/C(=O)NNc2c(F)c(F)c(F)c(F)c2F)c1OC 6981360 PHGFHZRKJOLEHX-VOTSOKGWSA-N 388.292 3.556 50 40 GHGB Cc1cc(Cl)ccc1OCC(=O)NN=Cc1ccc(Br)cc1 254847859 CGDWRIYCGWVFBV-UHFFFAOYSA-N 381.657 3.940 50 40 GHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(Cl)c1 840376 QQDAYGYCXXIUOF-SECBINFHSA-N 387.650 3.875 50 40 GHGB Cc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2n1C 1083299 CNUXVPYLTFLGBH-YZSQISJMSA-N 397.478 3.873 50 40 GHGB O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(N2CCCC2=O)cc1 9322625 DDFFKDDBKAKXGK-UHFFFAOYSA-N 380.835 3.772 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 5145970 JXVICQJYTALBSW-SFHVURJKSA-N 388.427 3.702 50 40 GHGB O=C(NNc1cccc(Cl)n1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 5728932 VDKJXCKRAPFVEH-UHFFFAOYSA-N 390.152 3.812 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 60512595 HMHVWACMTCMTEP-CIAFOILYSA-N 395.371 3.636 50 40 GHGB COc1cccc(CCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 23098681 MXPGTXIHKHDMIF-UHFFFAOYSA-N 383.326 3.698 50 40 GHGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 809398 FELVPHOFRYUDJX-LJQANCHMSA-N 382.460 3.933 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1O 678266 ORNGJNOXHCOREP-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2ccccc2)c1 6885253 VBZQBNLHKPIXKC-HZHRSRAPSA-N 389.411 3.867 50 40 GHGB CC[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(C)cc2)C1=O 12579844 GDNVVXMMPVEUTA-ODXGNSPJSA-N 391.496 3.905 50 40 GHGB CC1(C)C(=O)[C@]2(Br)CC[C@]1(CBr)[C@H]2Br 109275313 OZJYQWHCUOQKDZ-UASFKTIASA-N 388.925 3.668 50 40 GHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CNc1ccc2ccccc2c1 5448041 ASDQDJQBHKUKAT-AFUMVMLFSA-N 399.454 3.602 50 40 GHGB COc1cccc(/C=N/NC(N)=O)c1OCCCOc1ccc(Cl)c(C)c1 6500935 BRTUZRGUEAYRQV-WSDLNYQXSA-N 391.855 3.507 50 40 GHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1 6694551 DEHNXUWHUQWBLG-ZVBGSRNCSA-N 389.242 3.913 50 40 GHGB Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 27201635 PLBXASZJYDEHIJ-CQSZACIVSA-N 399.878 3.596 50 40 GHGB Cc1c(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc2n1C 409340925 CGIMCSNBKOPTLK-SSDVNMTOSA-N 399.292 3.811 50 40 GHGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cccc(Br)c1 409072078 AVUNUXQCSCKSLY-CIAFOILYSA-N 390.256 3.952 50 40 GHGB COc1ccccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408568770 KVJXRZAKCRFBII-UDWIEESQSA-N 388.514 3.703 50 40 GHGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@@H]1c1ccccc1Cl 33775845 PJQHQIKZSCLDQQ-IQVOZAENSA-N 381.863 3.973 50 40 GHGB Cc1nc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)sc1C 217926380 XGFAFRIQQSPSTB-VFVAKGGASA-N 385.327 3.857 50 40 GHGB CCCCCn1c(O)c(C(=O)N/N=C/c2ccccc2F)c(=O)c2ccccc21 5736172 LAYDBHJLAVQQGS-ZVHZXABRSA-N 395.434 3.800 50 40 GHGB COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)c(OC)c1 871066 QVNHSKGDRUTJAM-WSDLNYQXSA-N 395.484 3.803 50 40 GHGB C/C(CC(=O)Nc1cc(Cl)ccc1C)=N\NC(=O)COc1ccccc1C 4416410 JRUDGYHLMRJKKX-HZHRSRAPSA-N 387.867 3.857 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2Br)c(O)c1 4663699 GCKVMZDNTROADS-UDWIEESQSA-N 390.281 3.765 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1OC 4735432 MKWGWGYLKHMBIF-OEAKJJBVSA-N 378.428 3.558 50 40 GHGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(N2CCOCC2)cc1 5656964 YHYUCMITHNEQQH-KOEQRZSOSA-N 388.471 3.534 50 40 GHGB Cc1ccc(-n2ncc(C(=O)NNC(=O)c3oc4ccccc4c3C)c2C)cc1 13021437 TXSPNJXJJXUEAU-UHFFFAOYSA-N 388.427 3.619 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408729155 YATBVEWRZHBSOD-LSHDLFTRSA-N 383.791 3.644 50 40 GHGB N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59332814 XFUWDXKZJZEJKF-KNTRCKAVSA-N 383.451 3.801 50 40 GHGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 408803424 OSKMQPZSMOCRGA-MBTVCVBTSA-N 389.455 3.968 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)c(C)o1 15664271 CGUASJIMFMYZER-UHFFFAOYSA-N 384.285 3.582 50 40 GHGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccccc1 409380665 PFZJTNYRFUAPTO-MFKUBSTISA-N 395.503 3.647 50 40 GHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1300135 DEFXDBMWAVGUJT-LJQANCHMSA-N 387.399 3.616 50 40 GHGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(F)cc1 5480626 LVOUVHDASSZPOX-RGVLZGJSSA-N 377.213 3.917 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1Br 5737890 ARAGIORYMINRPJ-RGVLZGJSSA-N 394.700 3.861 50 40 GHGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 6694118 PZFWTCWRVSGBFZ-MIDUAYCOSA-N 386.814 3.787 50 40 GHGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)oc2ccccc12 7380394 RKACMJXGANCDSI-UHFFFAOYSA-N 386.473 3.662 50 40 GHGB CCn1c(NNC(=O)c2ccc(-c3ccccc3F)o2)nc2ccccc2c1=O 11159454 PWSYSTDPNPQUTC-UHFFFAOYSA-N 392.390 3.572 50 40 GHGB O=C(/C=C/c1nc2ccccc2s1)NNC(=O)C12CC3CC(CC(C3)C1)C2 13149089 YWOKKWFVYJVVJH-AATRIKPKSA-N 381.501 3.673 50 40 GHGB Cc1nc(Cc2ccccc2)sc1C(=O)N/N=C\c1ccc(C(=O)O)cc1 31798559 GPIQBUCOMYUUCY-MTJSOVHGSA-N 379.441 3.504 50 40 GHGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1 408745114 JVOQMEYWGGAGEE-ATVHPVEESA-N 394.427 3.573 50 40 GHGB O=C(N/N=C\c1ccc(N2CCCC2)c(F)c1)c1cccc(-n2cccc2)c1 409075525 RIWLBBSXHICKSA-JLPGSUDCSA-N 376.435 3.981 50 40 GHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1Cl 4525727 ZVRAYOMTCDSOSW-WSDLNYQXSA-N 387.867 3.735 50 40 GHGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(CCC)c32)cc1OCC 8817553 IWVMNNCZDPHVNR-GOSISDBHSA-N 382.464 3.768 50 40 GHGB CSc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccco2)cc1 12250540 VSJDIYJJQBKKTR-KUHUBIRLSA-N 384.482 3.645 50 40 GHGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 58886738 UTEDDJVSCRETCA-VZMFNRANSA-N 393.399 3.819 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@]2(C)NC3(CCCCC3)Cc3ccccc32)cc1 408734507 VZHPXCITJSPELF-VAHWYXDJSA-N 391.515 3.909 50 40 GHGB COc1cc(Cl)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC 409366084 SNSSOHQGJSEZND-ZVBGSRNCSA-N 382.247 3.573 50 40 GHGB CC1=C(Cl)/C(=N/S(=O)(=O)c2ccccc2)[C@H](Cl)[C@@](C)(Cl)C1=O 4167618 WXAAULWIYQPXCK-WGFSPCAYSA-N 380.680 3.517 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 5163899 AFDFVQDETPFIPH-QGZVFWFLSA-N 376.391 3.833 50 40 GHGB Cc1cc(C)c2c(c1)/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)C(O)=N2 6477173 AUGCHBYQNZJDCI-UHFFFAOYSA-N 390.365 3.856 50 40 GHGB Cc1ccsc1/C=C/C(=O)NNC(=O)COc1ccccc1-c1ccccc1 8348813 UCKFUJFCJNSHAS-VAWYXSNFSA-N 392.480 3.963 50 40 GHGB COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)NC3CC3)c3ccccc32)c1 17081685 UNPNLIAQSMCRCJ-LDADJPATSA-N 399.450 3.662 50 40 GHGB O=C(NNC(=O)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1)c1ccccc1 35553512 TYBJGMJLPKDKOT-UHFFFAOYSA-N 375.472 3.624 50 40 GHGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1O 107903050 NCCLMCFOYFLBKT-OGXMHIDPSA-N 395.297 3.830 50 40 GHGB CCc1ccccc1NC(=O)N/N=C\c1cc(Br)c(N(C)C)o1 408851307 XNRUILUSHOIZJZ-ZDLGFXPLSA-N 379.258 3.826 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1 408978790 KFICFRYTTOWVGG-NGIIGVMLSA-N 397.475 3.803 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 918937 IETQRKWZYXGTQG-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2C)cc1 1424046 LISFFTKYYAEYPR-YDZHTSKRSA-N 382.460 3.608 50 40 GHGB CC1=C(Cl)/C(=N/S(=O)(=O)c2ccc(C)cc2)[C@@H](Cl)[C@](C)(Cl)C1=O 4387353 KLQXEAQCFRZMLQ-CNANTTMZSA-N 394.707 3.825 50 40 GHGB N#C/C(=C\c1ccc(OC(=O)c2cccnc2)cc1)c1nnc2n1CCCCC2 5577541 UQZLBANZOLOZBO-QGOAFFKASA-N 385.427 3.683 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1C 5869809 JFKXURQRFRAQMS-GIJQJNRQSA-N 394.427 3.577 50 40 GHGB O=C(NNc1ccccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2cccs2)C1 32759013 CWWPOAGMCQOUKQ-GFCCVEGCSA-N 397.422 3.762 50 40 GHGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccs2)cc1 409008912 AEVPBEBZMHTMPR-XKZIYDEJSA-N 393.468 3.838 50 40 GHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)C(N)=O 3239343 DZZOCONATHKWHM-GXDHUFHOSA-N 380.354 3.533 50 40 GHGB O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)Nc1ccccc1 4525821 BLFZOKNWQOEBJT-UHFFFAOYSA-N 395.246 3.565 50 40 GHGB COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1ccccc1 5726122 VQDMWXKVKSBMJB-VXLYETTFSA-N 377.238 3.507 50 40 GHGB COC(=O)N/N=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl 6674856 VZKUDWWJNQKRBU-NGYBGAFCSA-N 375.643 3.890 50 40 GHGB Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 7443190 CVBLWRTXWJDJMP-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2OC)[C@H](C#N)C(O)=N1 9089027 AVHZEYDDGTUYIT-KBXCAEBGSA-N 399.472 3.700 50 40 GHGB O=C(NNC(=S)Nc1ccccc1Cl)c1ccccc1Br 15934429 CKJGCPSBPDIRJK-UHFFFAOYSA-N 384.686 3.734 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(Br)cc1F 59334480 HOPKBCLMBFPHQN-ZSOIEALJSA-N 390.256 3.991 50 40 GHGB O=C(Br)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671172 VGIQWXOXDRXVKV-UWTATZPHSA-N 392.946 3.943 50 40 GHGB COc1cc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)ccc1O 408728310 ZMMBDMXKJGMTOJ-WSDLNYQXSA-N 380.469 3.938 50 40 GHGB COc1cccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)c1O[C@@H](C)C(=O)O 409220546 BGZZFACIQXLWHW-ZCQLHAAUSA-N 394.427 3.710 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC#N 409376455 AYKRKCZNSZZMON-UFFVCSGVSA-N 378.215 3.668 50 40 GHGB Cc1cc(C)nc(S[C@H](C)C(=O)N/N=C/c2ccccc2C(F)(F)F)n1 1445516 PQOBKIRWTYMTPG-PITUFAOZSA-N 382.411 3.743 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)CSc1ccccc1 59151824 JBCAXSVWQMGLSU-VCHYOVAHSA-N 379.279 3.700 50 40 GHGB O=C(CSc1nc2ccccc2[nH]1)NNc1ccnc2cc(Cl)ccc12 12970469 NJKYRJJMTOMJGE-UHFFFAOYSA-N 383.864 4.000 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)CCc2ccccc2)cc1Br 409137873 ZFFPKVWTXFAURO-DEDYPNTBSA-N 375.266 3.931 50 40 GHGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1OC 5456713 FOHFFSCKFQWAKI-SFHVURJKSA-N 388.427 3.702 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC)cc2c1 409190575 SJTUNCFTCFQHFR-JAIQZWGSSA-N 383.360 3.512 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408937615 GZQLLWXNCODJAI-FOKLQQMPSA-N 396.834 3.605 50 40 GHGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)O)c1C 409045079 YEWQADXKAYOJKY-OVCLIPMQSA-N 384.819 3.966 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1O 3267115 QYJLEUNSRGTPKM-IZZDOVSWSA-N 391.196 3.848 50 40 GHGB CCOC(=O)c1sc(NC(=O)COc2ccccc2)c(SC#N)c1C 4088296 HRVWGJHJYNBVTQ-UHFFFAOYSA-N 376.459 3.824 50 40 GHGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 4173357 CESQCRLHYQQPGO-GHXNOFRVSA-N 387.779 3.811 50 40 GHGB COc1cc(/C=N/NC(N)=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 4590986 DEFFYLRPWWEXKB-BUVRLJJBSA-N 399.491 3.843 50 40 GHGB CC(=O)NNC(=O)CSc1nc(C2CCCCC2)nc2sc(C)c(C)c12 4848093 KXCDBLKUPBVLEP-UHFFFAOYSA-N 392.550 3.615 50 40 GHGB COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 8382607 KWQIMTXJNMFFDE-INIZCTEOSA-N 380.354 3.582 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1C 14134553 OHUYZNRYDVISAJ-CIAFOILYSA-N 388.309 3.825 50 40 GHGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc(C)c2O)cc1 36188435 BAXACFIEQYGPKJ-PJICWNCHSA-N 385.420 3.651 50 40 GHGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 58912608 VUNFNLIMMHNOAY-YDZHTSKRSA-N 394.862 3.836 50 40 GHGB N#C/C(=C\c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)N1CCOCC1 59219837 FIYSHFLPAXWRHZ-ACCUITESSA-N 376.334 3.731 50 40 GHGB C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1ccc(O)cc1 101158561 GZPJFBKWLYUZKP-FOKLQQMPSA-N 379.338 3.546 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1 408796847 QCHSFJNCIWVIJB-VGOFMYFVSA-N 398.802 3.791 50 40 GHGB NC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 408975505 MIBCVXXYGODKAN-LSFURLLWSA-N 388.258 3.907 50 40 GHGB COC(=O)[C@@H]1C(=O)NC(SCc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1 409136302 TWDRFMDAVMUHQV-MOPGFXCFSA-N 392.480 3.666 50 40 GHGB COC(=O)Cn1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c2ccccc21 409391974 MEVGIKSDGZUUIP-ZROIWOOFSA-N 386.411 3.763 50 40 GHGB O=C(CCCC[C@@H]1CCSS1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524731954 QJOJATIXXCMAHK-YYIAUSFCSA-N 382.595 3.560 50 40 GHGB biogenic COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OC)sc2c1CCCC2 1930397 UXZLWMGBMOVXQZ-SDNWHVSQSA-N 396.468 3.968 50 40 GHGB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1ccccc1 3162771 SXXAJIBRKBMUSN-JJIBRWJFSA-N 387.487 3.935 50 40 GHGB CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2nccs2)cs1 6948839 YKJHSMKCKAIBBQ-UKTHLTGXSA-N 395.469 3.830 50 40 GHGB C/C(=N\NC(=O)c1ccc(C)cc1)c1cccc(I)c1 408778421 UIQDJFVTOGDBDX-LDADJPATSA-N 378.213 3.754 50 40 GHGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1ccc(Cl)cc1 408858835 TVFTWEAJLAELTI-MTJSOVHGSA-N 398.806 3.568 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Cl)c1O 408971727 PSAGEYHDXGPJQF-UFFVCSGVSA-N 388.807 3.963 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cccc(Cl)c1 409092409 XPQNKSCRGIQVNU-LPYMAVHISA-N 387.867 3.721 50 40 GHGB C[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12 687100 GVGXYGCDBNOPJZ-OVMKCGGTSA-N 385.265 3.881 50 40 GHGB Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)O2 719956 CEKUBDRSSVKFFT-UHFFFAOYSA-N 388.271 3.629 50 40 GHGB COc1cccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1OC 4704241 YFBPBTGOIPJYRJ-BUVRLJJBSA-N 390.439 3.900 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)CNc2ccc3ccccc3c2)cc1[N+](=O)[O-] 4817525 NOBXFXRDVFQESU-UCQKPKSFSA-N 392.415 3.709 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 5288228 ONBZKZJZTQLRMH-HZHRSRAPSA-N 384.476 3.921 50 40 GHGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2N)c2ccccc21 6971875 PWDDEKWOAWZJOE-MZJWZYIUSA-N 393.450 3.907 50 40 GHGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OCC 20197980 IWQQBALQGDACNN-XQNSMLJCSA-N 380.444 3.650 50 40 GHGB Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)cc2C)cc1 36652403 PVXLGWOGLOZUSJ-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB Cc1c(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc(N)c1C#N 408730114 NNQJKIKCRIAKTI-UHFFFAOYSA-N 390.468 3.853 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N(C)C)o2)cc1 408854860 AMPYLEYRKYFYCK-FLIBITNWSA-N 390.237 3.662 50 40 GHGB N#C/C(=C\c1ccc(OCCOc2ccc(Cl)cc2)cc1)C(=O)NC1CC1 409205793 KBJNHVOHYHTMKA-DTQAZKPQSA-N 382.847 3.983 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1Br 1092716 QQAMSVDMWFSLLM-KEBDBYFISA-N 391.265 3.604 50 40 GHGB Cc1cc(C)cc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2Cl)c1 12859412 PWIRGDFKGHWCAZ-FMCGGJTJSA-N 396.878 3.980 50 40 GHGB COc1cccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)c1 20348320 GTBHMKZWRGIYAA-IBGZPJMESA-N 391.496 3.910 50 40 GHGB CN1CCC(=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 57416309 IILYZAYDUQRYBN-UHFFFAOYSA-N 376.435 3.852 50 40 GHGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1 100923066 JLOGVSPZDSDDKI-PCLIKHOPSA-N 389.455 3.912 50 40 GHGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408846163 PDWAVWMOCBHNNP-BYBLBYPZSA-N 396.498 3.885 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1OC 408909568 VHAXMTHOHOGVRS-HZHRSRAPSA-N 384.476 3.884 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1Cl 409000697 ZPEQSAFTBHFCSS-SSDVNMTOSA-N 383.791 3.546 50 40 GHGB C/C(=N\NC(=O)c1csc(C(C)C)c1)c1ccc(NC(=O)/C=C/C(=O)O)cc1 17081696 HHOPYRPINMNGOQ-UXWOPCDISA-N 399.472 3.605 50 40 GHGB O=C(c1cc(Br)ccc1F)[C@H](Br)CBr 306492658 XXMSOYTYDVMQLS-SSDOTTSWSA-N 388.856 3.929 50 40 GHGB Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)c1 40137477 VRGMDBVHKFMSFG-LVWGJNHUSA-N 399.450 3.555 50 40 GHGB CCCCCC1=CCC/C1=N\NC(=O)CCN1CCN(c2ccccc2)CC1 6369458 BDBIBSDPNMVXGE-ZNTNEXAZSA-N 382.552 3.971 50 40 GHGB COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 5558630 HODSRKISXVDOLE-OEAKJJBVSA-N 385.895 3.711 50 40 GHGB CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 804011 ZBOJUUXYIAZEOP-GOSISDBHSA-N 394.402 3.616 50 40 GHGB Cc1ccc(C(=O)NNC(=O)CCCSc2nc3ccccc3s2)cc1 2639530 LAKVVDOYEJXQEC-UHFFFAOYSA-N 385.514 3.938 50 40 GHGB Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1NS(C)(=O)=O 40059604 OBJFXUTWMQXNMF-UHFFFAOYSA-N 395.484 3.850 50 40 GHGB N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccccc1I 96400821 JESIWPYOIYUIIX-XFXZXTDPSA-N 392.171 3.976 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)o2)cc1 409384749 FEWWIXRMIPTUED-PDGQHHTCSA-N 389.411 3.829 50 40 GHGB CCCc1ccc(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 1800496 BVKVGHOJGODMRY-UHFFFAOYSA-N 398.503 3.676 50 40 GHGB Cc1ccc2cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(Cl)nc2c1 2265220 JOXVJCQBXURCQJ-SQWLXVSWSA-N 390.871 3.560 50 40 GHGB O=C(O)c1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12 3369470 MSEOIJPJKDACDP-YDZHTSKRSA-N 385.379 3.957 50 40 GHGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3cc(Cl)ccc3O)cc2)n1 6189197 QXFSVXJEOBCANW-SSDVNMTOSA-N 382.851 3.671 50 40 GHGB O=C(CCl)Nc1nc2c(Br)cc(Br)cc2s1 20131771 FGFHAJQZSAEXLA-UHFFFAOYSA-N 384.480 3.999 50 40 GHGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 33283526 BDBNOUZYYYBLSX-UCQKPKSFSA-N 379.439 3.826 50 40 GHGB O=C(N/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1)c1cccc([N+](=O)[O-])c1 33694027 YCPJVXQLKHYXNH-QQTULTPQSA-N 399.410 3.848 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC#N)c(OC)c3)cc2c1 409188094 AEQLBCCKHCOLSN-QRVIBDJDSA-N 393.399 3.506 50 40 GHGB C=CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21 2502652 XSQQRTAAQURVPE-GOSISDBHSA-N 399.244 3.938 50 40 GHGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 6179615 LKHKIBFJVJGUCJ-NNLXQCSXSA-N 391.383 3.717 50 40 GHGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)Nc1ccccc1 33337497 YUIXWRUBAFYPNU-WQLSENKSSA-N 390.180 3.542 50 40 GHGB COc1cc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc(OC)c1OC 61721036 AKNDQCKEOZYJKP-MDWZMJQESA-N 377.400 3.739 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C(/C)CC(=O)Nc2ccc(C(C)C)cc2)c1 100025355 TVRMDHRKWRPYGY-IWIPYMOSSA-N 397.475 3.962 50 40 GHGB COc1cccc(/C=N\NC(=O)COc2cccc3cccnc23)c1OC(C)C 409021665 SDQPKNGXRCZLRT-CFRMEGHHSA-N 393.443 3.560 50 40 GHGB COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2Br)cc1 1052576 YTMBOMVMKFKVCL-AWQFTUOYSA-N 396.672 3.673 50 40 GHGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccco4)CC(=O)N3C2)cc1 2219086 NPPGCKAKGQTIMX-INIZCTEOSA-N 381.457 3.898 50 40 GHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 2774032 JDDJKUWIIOHVRP-KPKJPENVSA-N 387.779 3.811 50 40 GHGB O=C(N/N=C/c1ccc(N2Cc3ccccc3C2)cc1)c1ccc([N+](=O)[O-])cc1 5338556 TZDMTQGQAZSFTQ-YDZHTSKRSA-N 386.411 3.879 50 40 GHGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)OCC)cc1OCC 7000214 DWHAAVNTSNKZQO-MDWZMJQESA-N 380.238 3.883 50 40 GHGB C/C(=N\NC(=O)COc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 16136942 ZGXJSSAEBNCYQT-KOEQRZSOSA-N 387.439 3.858 50 40 GHGB Cc1cccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)c1 28218274 MEWJRPPUFIPRSR-MFKUBSTISA-N 396.450 3.517 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c2ccccc21 100230677 WNFAFUPUXHDCRT-FJAUERAPSA-N 395.503 3.789 50 40 GHGB CC(C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1 408707807 MBMSPMPKDIYJDL-UFFVCSGVSA-N 393.274 3.712 50 40 GHGB Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)c1 409123777 DTRPLKHNKBGJLD-HNNXBMFYSA-N 381.457 3.607 50 40 GHGB Cc1ccc(NC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1C 409186779 HSYSVDAFMNWCRG-UUYOSTAYSA-N 383.448 3.789 50 40 GHGB CCCCOc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 1601411 KPVXQYPMMQYHIE-HYARGMPZSA-N 386.448 3.655 50 40 GHGB O=C(CNc1ccccc1C(F)(F)F)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 3212990 LVBNIESMRYKRBZ-VMSYWWMTSA-N 392.337 3.841 50 40 GHGB C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)=N\NC(=O)c1ccccc1C 4690515 DZYUYIAQDGRGGX-CIAFOILYSA-N 388.811 3.691 50 40 GHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 6158834 XIKVSNZICUCOHH-CIAFOILYSA-N 392.371 3.577 50 40 GHGB Cc1ncsc1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 59002567 KEGFHHXIFLXGMN-GFCCVEGCSA-N 377.535 3.739 50 40 GHGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 408800029 MYOPDHORCXIKDU-BQVPINLBSA-N 386.448 3.832 50 40 GHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1 408871198 YJRQRKPUTHNPQA-CPNJWEJPSA-N 393.487 3.773 50 40 GHGB COc1cccc2cc(C(=O)N/N=C/c3ccc(O)c(Br)c3)oc12 408972330 ROEVDSGAPDKHAA-DJKKODMXSA-N 389.205 3.673 50 40 GHGB COC(=O)c1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408973541 UAPCGPHENCABHY-GXDHUFHOSA-N 385.217 3.781 50 40 GHGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)o2)cc1OC 6957947 IRSZKWYHPHGZTL-GIJQJNRQSA-N 381.226 3.522 50 40 GHGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc([N+](=O)[O-])c1O 409086885 XFRSFZADSIHSEG-KEBDBYFISA-N 385.763 3.978 50 40 GHGB COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C)cc1[N+](=O)[O-] 13847790 ZJJVZLPCZUVWFJ-WSDLNYQXSA-N 393.399 3.594 50 40 GHGB O=C(N/N=C\c1cc(Br)c(Br)o1)c1cccs1 408954675 UNACLOIBIFHTQR-ACAGNQJTSA-N 378.045 3.630 50 40 GHGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)COc1cccc(Cl)c1 35225916 IISQWRKUJOQBRO-FMCGGJTJSA-N 389.858 3.917 50 40 GHGB C[N+](C)(C)CCCCCCCCCCC(=O)N/N=C\c1ccc([N+](=O)[O-])o1 17286387 JPBYTFVNDZYBHK-SILNSSARSA-O 381.497 3.855 50 40 GHGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(N2CCOCC2)cc1 5897761 VJQXLRMZADHGND-BXDHAIISSA-N 397.544 3.864 50 40 GHGB COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 4499482 RLXGDPFJEAGXQJ-HZHRSRAPSA-N 389.411 3.576 50 40 GHGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)c1 5248616 USRRZFODBGJMMG-INIZCTEOSA-N 378.819 3.957 50 40 GHGB CC(C)(C)c1cc(CCC(=O)NNC(=O)c2ccncc2)cc(C(C)(C)C)c1O 7813677 MPFZEEPRRZXIDX-UHFFFAOYSA-N 397.519 3.776 50 40 GHGB CCOC(=O)c1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 20133474 ABUHQKHTRLZSAV-GFCCVEGCSA-N 385.283 3.831 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1O 30822089 VGQFICBAUPEKSX-LSCVHKIXSA-N 383.629 3.581 50 40 GHGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCc3ccccc31)[C@H](Br)C2=O 100868300 BDPMIAFJICJNFN-CCKFTAQKSA-N 376.294 3.735 50 40 GHGB CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OCC)c1 658679 PJTUQXTVVDLGLA-LJQANCHMSA-N 382.460 3.935 50 40 GHGB O=C1C=C(NNC(=O)c2cccc(Br)c2)C[C@@H](c2ccccc2)C1 1091327 WZOLTAFEDLJKQH-OAHLLOKOSA-N 385.261 3.714 50 40 GHGB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)CCCCl 2232363 BOQHAGXQSYENQW-UHFFFAOYSA-N 387.896 3.561 50 40 GHGB CC1=C(C)[C@H](OCCBr)N(c2cc(O)c(Cl)cc2F)C1=O 2290792 DJSIHRSMAAHWEI-AWEZNQCLSA-N 378.625 3.605 50 40 GHGB CCc1ccc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc1 2744322 HUQOISDBCROGPR-RGVLZGJSSA-N 375.266 3.849 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 5720156 OHYRFYYUGIBKNX-AWQFTUOYSA-N 383.231 3.783 50 40 GHGB Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 6450308 BEBCNQNZANFWSM-UHFFFAOYSA-N 399.834 3.599 50 40 GHGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1ccc(C(F)(F)F)cc1 15424626 CACGXVPFILOZDC-UHFFFAOYSA-N 378.741 3.791 50 40 GHGB Cc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 19953136 OOWHKCGNHWBUCG-UHFFFAOYSA-N 399.516 3.545 50 40 GHGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccccc2)[C@@H]3CCC1 57058887 KUJFKXAXHKBLGZ-BHSKHCGUSA-N 386.499 3.793 50 40 GHGB COC(=O)c1cc(C(=O)CBr)ccc1OCc1ccccc1OC 85397478 JXBFHENHTBERKG-UHFFFAOYSA-N 393.233 3.638 50 40 GHGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 96669646 UDYDBODDNKZXSM-BOPFTXTBSA-N 392.846 3.594 50 40 GHGB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/CCCl 100499543 ISSVTJLKNQADLA-JWCBKIGOSA-N 397.953 3.986 50 40 GHGB Cc1nc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)sc1C 136764232 XGFAFRIQQSPSTB-GTTSAUCSSA-N 385.327 3.857 50 40 GHGB COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1OC(C)C 408676390 HZVKORYLQRAVLQ-HZHRSRAPSA-N 381.476 3.847 50 40 GHGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)Cc1cccc2ccccc12 408739756 FLCSBIUHPGOXLU-MNQDVBFDSA-N 384.439 3.523 50 40 GHGB Cc1c(/C=N\NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2n1C 408843295 FGAQQHCBRKPOQD-JAIQZWGSSA-N 382.445 3.637 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 409187850 VBGOTFLBEOSLSI-PDGQHHTCSA-N 378.428 3.871 50 40 GHGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OC(C)C 409236610 TYZDCPSRGBPUGA-JJFYIABZSA-N 378.831 3.968 50 40 GHGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 4513039 GDIPTTJBIMTSTF-DHDCSXOGSA-N 394.818 3.995 50 40 GHGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccc3ccccc23)cc1 100923003 KUEGTFWZWSMDBF-BUVRLJJBSA-N 375.428 3.983 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1OC 1092153 LHKXRLXUANMCIZ-FVQJWRHTSA-N 377.444 3.808 50 40 GHGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3C)cc2)c1 3139145 DMJMEZQTQGTRLW-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB O=C(C1=C(O)C(=O)N(CCBr)[C@@H]1c1ccccc1)c1ccccc1 6446695 SLCNYKVKGRVBER-MRXNPFEDSA-N 386.245 3.660 50 40 GHGB CCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)c1ccccc1 7695510 WOALHKCIYDGCCT-BYFYWULKSA-N 391.471 3.644 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 9204297 AZOOPSKFCKAJID-UDWIEESQSA-N 375.266 3.929 50 40 GHGB Cc1cc2c(c(=O)n1C)[C@@H](c1cccc(Oc3ccccc3)c1)C(C#N)=C(N)O2 20086798 YRILTSSDUGOFNO-FQEVSTJZSA-N 385.423 3.704 50 40 GHGB COc1cc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)ccc1O 20238032 WSXLEPBOYKMCRD-INIZCTEOSA-N 399.516 3.748 50 40 GHGB Cc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 33689764 WOIKBLHYBLKUQP-HMAPJEAMSA-N 376.416 3.695 50 40 GHGB COc1cccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1OC 408905113 TWFZZEGAWBCTKU-GRSHGNNSSA-N 392.253 3.930 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1C#N 409138789 HYJSCXMNTGTNML-QFIPXVFZSA-N 397.434 3.952 50 40 GHGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)C(=O)NC1CCCC1 409191990 RVYDJXXBJULMHO-JXAWBTAJSA-N 389.455 3.670 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1OC 409244167 YVEQNTZWXDPENB-RGEXLXHISA-N 391.471 3.640 50 40 GHGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(F)F 706798 NXIVKHLVRZRWGJ-INIZCTEOSA-N 376.359 3.501 50 40 GHGB O=C(COc1ccc(/C=N/NC(=O)c2ccco2)cc1)Nc1cccc(Cl)c1 1104561 WQMRQFBCZUQLTL-WSDLNYQXSA-N 397.818 3.714 50 40 GHGB C=CCn1cc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc21 2361718 ZYZHGKLZZMTSTC-AFUMVMLFSA-N 384.439 3.905 50 40 GHGB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 10475781 XJEHOHTYXJTKQE-HYARGMPZSA-N 393.399 3.946 50 40 GHGB O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1 12377792 NBSUCOAOXWSYGI-QFEZKATASA-N 385.402 3.837 50 40 GHGB CN(C)c1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1Br 13371741 RVQUMELZVIBXNT-UVTDQMKNSA-N 376.298 3.871 50 40 GHGB CCCCCCCCS(=O)(=O)C[C@@H](Br)CBr 100241620 GWVDGGHTPSHRKD-NSHDSACASA-N 378.170 3.920 50 40 GHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 409142550 ARLDCAOVXYGWRE-YDZHTSKRSA-N 376.412 3.660 50 40 GHGB Cc1ccccc1CSCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 409184813 NWGSRVFQBQEPMV-DJKKODMXSA-N 377.853 3.940 50 40 GHGB N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 409246765 DGCXMZHSEZZBNU-WDZFZDKYSA-N 377.278 3.865 50 40 GHGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccco4)CC(=O)N3C2)cc1 2219082 NPPGCKAKGQTIMX-MRXNPFEDSA-N 381.457 3.898 50 40 GHGB COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)[C@@H](Br)[C@@H]12 5063080 VXNUYSOLTINORZ-OPNNQBFTSA-N 395.293 3.892 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(OC(C)C)c1 6376566 LLKJLENUQQPFLI-LPYMAVHISA-N 399.447 3.862 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)c(C)o1 24552872 YSAKNAKJFIPRLQ-HNNXBMFYSA-N 379.460 3.999 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2C)cc1 58913794 NOQDCOQCKLLAKV-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc(Cl)cc1 100089573 TXQQHBPVOGPAFM-ZMOGYAJESA-N 387.911 3.921 50 40 GHGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccc(Cl)cc1 216780138 LDVFVZVBMQWUEA-UHFFFAOYSA-N 399.672 3.684 50 40 GHGB CC1(C)COc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2OC1 225369817 WHFMGPGHEFZCCL-XDHOZWIPSA-N 376.456 3.750 50 40 GHGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)OCCO2 408719806 MCVSMLSGVRGZAM-FYJGNVAPSA-N 390.892 3.885 50 40 GHGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(Cn2cccn2)c1 1081886 HLIYEJAJVMCYJQ-UFFVCSGVSA-N 389.242 3.708 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(O)c1 4062300 QMHKWPSLHRRAJK-ZMOGYAJESA-N 393.409 3.950 50 40 GHGB O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5296919 KYYXARLOWXWKFO-ZMOGYAJESA-N 382.423 3.798 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)c2cccc(Br)c2)cc1OC 8102756 PMGAFSIIPYHWRZ-YBFXNURJSA-N 377.238 3.620 50 40 GHGB O=C(CNc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 855776 HWJLAJQLKAFPSV-AFUMVMLFSA-N 391.402 3.607 50 40 GHGB Cc1cccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1 863642 PFMMHRFVOSZXCS-WSDLNYQXSA-N 382.851 3.672 50 40 GHGB CCn1c2ccccc2c2cc(NC(=O)C(=O)N/N=C/c3cccs3)ccc21 4675562 WBCOCAARLCIXSI-LPYMAVHISA-N 390.468 3.965 50 40 GHGB Cc1ccc(-n2cccc2/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(C)c1 6965019 BTBIWDGHFYZGEM-WSDLNYQXSA-N 393.516 3.743 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OC 13955185 YRIAHQSUKHZABI-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CC(C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 108989790 MNLPYOYYBIWYHV-JAIQZWGSSA-N 375.812 3.728 50 40 GHGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408800921 RYCGLALLRADAEJ-HZGBGQKMSA-N 377.444 3.526 50 40 GHGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCC#N 408853387 RVXQRMJHIKEZJA-OYKKKHCWSA-N 389.411 3.836 50 40 GHGB N#C/C(=C/c1ccccc1Cl)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 33649725 YSSHAVHGCRINGV-GHXNOFRVSA-N 385.763 3.565 50 40 GHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(C)c2ccccc12 8812676 NMLREXQDCHNBFS-KEBDBYFISA-N 386.249 3.713 50 40 GHGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)cc1 59515508 NCLQCCCEWUYHBK-RGVLZGJSSA-N 388.265 3.661 50 40 GHGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2375344 YJNCDEXYTAOKBL-BJMRFWQKSA-N 397.887 3.512 50 40 GHGB C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc2c(c1)OCCO2 5960689 BRWGZPGCEPSLOT-BXSODOALSA-N 388.851 3.727 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)c(C)o1 24552876 YSAKNAKJFIPRLQ-OAHLLOKOSA-N 379.460 3.999 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccccc1C#N 408853189 ZLLOTBXOGJEMOL-ODLFYWEKSA-N 375.428 3.531 50 40 GHGB N#CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc2ccccc2o1 408851111 IJVGJHBQVREMTI-NHDPSOOVSA-N 398.216 3.862 50 40 GHGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)cc1 409371387 IGWPJPBPLYBOQE-XMHGGMMESA-N 389.455 3.542 50 40 GHGB Cc1ccsc1[C@@H]1CC(=O)NC(SCC(=O)OCc2ccccc2)=C1C#N 8972529 NJCQCDHOIYSPKJ-OAHLLOKOSA-N 398.509 3.872 50 40 GHGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 7894325 LQXCRCXASREUQZ-KEBDBYFISA-N 395.228 3.759 50 40 GHGB COc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 11692043 LKHKPUCGPURPIF-RVDMUPIBSA-N 378.837 3.608 50 40 GHGB COc1ccc(Br)cc1/C=N\NC(=O)COc1ccc(C)cc1C 30843095 NJPXHJSDBKRDRK-JMIUGGIZSA-N 391.265 3.604 50 40 GHGB O=C(O)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 33336092 NCRRPAXXHZHLQJ-OCKHKDLRSA-N 387.189 3.657 50 40 GHGB Cc1c(C(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)oc2ccccc12 40144212 CCDSMUVPHQAJLV-UHFFFAOYSA-N 382.464 3.891 50 40 GHGB O=C(N/N=C\c1ccccc1OCc1ccccc1)c1cc([N+](=O)[O-])ccc1O 408865072 BJXBOHRMGFKIJB-XKZIYDEJSA-N 391.383 3.643 50 40 GHGB CO[C@@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1C)c1ccccc1 4525822 AYVMIVGWNFDEQM-IXOWOOARSA-N 387.867 3.857 50 40 GHGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1 6441044 KMYFNXWWKSOJBA-QGZVFWFLSA-N 378.453 3.745 50 40 GHGB CC(C)c1[nH]nc2c1[C@@H](c1ccc(Br)cc1F)C(C#N)=C(N)O2 8783467 RKPTYWQVMQSGPC-LBPRGKRZSA-N 377.217 3.653 50 40 GHGB CCN(CC)Cc1cc(/C(C)=N/NC(=O)CNc2ccc(C)cc2)ccc1OC 13098641 KQODUPIVTPATCO-XIEYBQDHSA-N 396.535 3.798 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1C 33670973 VXMNHWMJDALMSL-DHRITJCHSA-N 382.483 3.913 50 40 GHGB O=C(NNC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(Br)cc1 40142865 BMUHDUDOTQDPEV-UHFFFAOYSA-N 392.640 3.659 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1O[C@@H](C)C(=O)O 409010389 DPWKPPUAHNULEV-HAKPAVFJSA-N 394.427 3.710 50 40 GHGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1O[C@@H](C)C(=O)O 409233239 DUYGIPSKZWPKIC-ZCQLHAAUSA-N 394.427 3.710 50 40 GHGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409266069 OIKBYQUHKBBXBU-JZKLSJHFSA-N 394.233 3.636 50 40 GHGB COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccccc2Br)c1 1791072 FUNGENVIHRIORI-UKTHLTGXSA-N 386.201 3.748 50 40 GHGB CCCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2117989 OCMQBGLNXUVTDM-IBGZPJMESA-N 382.460 3.935 50 40 GHGB Cn1/c(=N\NC(=O)COc2ccc(Cl)cc2Cl)sc2ccccc21 4059172 OBLXYKXKZPOOBL-CAPFRKAQSA-N 382.272 3.558 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1C 4814904 FOYJNOHICFSKTL-YDZHTSKRSA-N 376.412 3.954 50 40 GHGB Cc1cccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 6471541 IKDBLNMVDBNPAK-DEDYPNTBSA-N 399.497 3.621 50 40 GHGB C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1 28218200 FAEWXXKOTTXXRN-YZSQISJMSA-N 396.450 3.599 50 40 GHGB O=C(Br)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95671208 IMCJGMVADKNDTL-UHFFFAOYSA-N 388.958 3.806 50 40 GHGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c(OC)ccc2ccccc12 408566054 DCSLZMHEHUXUBJ-CIAFOILYSA-N 379.372 3.529 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc3ccc([N+](=O)[O-])cc3nc2Cl)cc1 408728794 UGMYEIAYEIEQIE-KEBDBYFISA-N 384.779 3.569 50 40 GHGB C#CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCC)c(OC)c1 409311045 XXVOGLUZFZATQC-XKZIYDEJSA-N 386.835 3.523 50 40 GHGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc2c(cc1Cl)OCO2 682812 KBVHDJIFLWXTDG-ZVBGSRNCSA-N 383.791 3.796 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C/c1cccn1-c1ccc(F)cc1 2395815 YEHIBLOJSIOASP-AFUMVMLFSA-N 388.402 3.694 50 40 GHGB Cc1ccc(CN2C(=O)/C(=N\OC(=O)C(Cl)Cl)c3ccccc32)cc1 3064095 YDXSWOVYHLYVRX-QNGOZBTKSA-N 377.227 3.593 50 40 GHGB CO[C@@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 59471511 OBYOJMKKNAGYDH-DBRLUCFCSA-N 379.372 3.693 50 40 GHGB NNC(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 73635408 UEBNPEKZANXQHU-UHFFFAOYSA-N 382.670 3.983 50 40 GHGB N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1ccccc1F 12275077 SPDYSNODSHXRCU-QRWLVFNGSA-N 384.407 3.608 50 40 GHGB CC(/C=N\NC(=O)c1cc2ccccc2o1)=N/NC(=O)c1cc2ccccc2o1 102430165 NQNIDVLRBJABOB-YFBGDSSHSA-N 388.383 3.701 50 40 GHGB Cc1cccc(-n2ncc(C(=O)NNC(=O)c3oc4ccccc4c3C)c2C)c1 12936107 PAKJESUJOTWESN-UHFFFAOYSA-N 388.427 3.619 50 40 GHGB COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1cccc(F)c1 409009867 AFKFCXRIVNFDSI-AWQFTUOYSA-N 395.228 3.646 50 40 GHGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cccc(O)c2)cc1OC 409375412 KKRBQNIEHSRZSE-WLQYJRLHSA-N 376.840 3.995 50 40 GHGB O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cc(O)ccc1O 1616040299 FGRYLXKJQOLHTR-UHFFFAOYSA-N 395.440 3.522 50 40 GHGB Cc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)c(C)c1 19948449 RXLUKKKHPQWDGF-UHFFFAOYSA-N 399.516 3.545 50 40 GHGB CC(C)c1ccc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 705040 AISSSNZXCWFHPV-FCHUYYIVSA-N 385.515 3.944 50 40 GHGB CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)c1 5790059 VVOCNBHCYHMSTP-IBGZPJMESA-N 381.476 3.508 50 40 GHGB O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 825340 NPSPLQWXYRFACO-HYARGMPZSA-N 389.367 3.578 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 1105253 MMKOBFYYRBHKEU-SRZZPIQSSA-N 383.335 3.766 50 40 GHGB Cc1ccc(NC(=O)c2cc(N(C)C)ccc2[P@@](=O)(O)c2ccccc2)cc1 3268391 OFKUKVXYISDRES-UHFFFAOYSA-N 394.411 3.535 50 40 GHGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)c1C 408735938 ZPPWTIMWDBYGPN-FVIRYLMMSA-N 377.488 3.913 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1Cl 409361541 HOIBVBWTCLYBLA-ZVBGSRNCSA-N 382.247 3.573 50 40 GHGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1C 2134925 QSNJLVPGGMKWQP-UHFFFAOYSA-N 395.503 3.781 50 40 GHGB C/C(=N/NC(=O)CNc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 5494380 IZZOUYOAMJZDAP-JJFYIABZSA-N 380.326 3.566 50 40 GHGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1 33597679 SCIZRASUDWVUTQ-LGMDPLHJSA-N 377.444 3.937 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)cc1C 58911581 FCZFBCBRFXFAGA-ZVHZXABRSA-N 394.519 3.610 50 40 GHGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccn1-c1ccccc1 59678822 HDOIPTWMJYKZHH-DEDYPNTBSA-N 380.429 3.628 50 40 GHGB Cc1ccc(NNC(=O)/C=C/c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)cc1 408534691 WBHBFKFZUFGONA-JXMROGBWSA-N 375.388 3.517 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(O)c1 408588379 JBFYTOFKOVLQHV-VXLYETTFSA-N 377.238 3.706 50 40 GHGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3)cc2)c1 409008303 VMGKOHYGGMMWBX-BUVRLJJBSA-N 387.439 3.776 50 40 GHGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O)c1ccco1 409227942 XVDQCDPGQFWKCE-NHDPSOOVSA-N 384.775 3.622 50 40 GHGB C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 4652095 HKIVHGLOYHDWGN-DTBYOGDJSA-N 389.377 3.831 50 40 GHGB CCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1Br 6439735 YYQJMWNRPCUGJT-UHFFFAOYSA-N 397.656 3.576 50 40 GHGB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1cn(C)c2ccccc12 12539288 NKHLLFQHZVGMQW-CQSZACIVSA-N 390.443 3.972 50 40 GHGB CCCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 35225364 VCOSNPZEWCFZLY-STZFKDTASA-N 385.420 3.936 50 40 GHGB CC(=O)Nc1cc(C)c(C(=O)OC(=O)c2cc(C)c(NC(C)=O)cc2C)cc1C 104107733 BRRMQJXVRKCTSO-UHFFFAOYSA-N 396.443 3.834 50 40 GHGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(O)c(OCC)c2)ccc1OC 409319321 DJWPJFJFQQBHCY-NHDPSOOVSA-N 392.839 3.616 50 40 GHGB O=C(CCCC[C@H]1CCSS1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524731951 QJOJATIXXCMAHK-LTIDMASMSA-N 382.595 3.560 50 40 GHGB biogenic N#CC1=C2SC[C@@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1c1ccccc1F 12275078 SPDYSNODSHXRCU-MGPUTAFESA-N 384.407 3.608 50 40 GHGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 59435617 SOCZXXPQOGHEMA-YDZHTSKRSA-N 375.428 3.758 50 40 GHGB Cn1/c(=N\NC(=O)Cc2coc3cc4c(cc23)CCC4)sc2ccccc21 3278906 GBTAPUSRHOYFEJ-XTQSDGFTSA-N 377.469 3.649 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1 4739168 LOGGHBCUEGBJLH-WSDLNYQXSA-N 392.371 3.555 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C\c2cc(Cl)ccc2OC(C)C)c1 33767931 MHQGGSBOGUKLFR-NHDPSOOVSA-N 376.840 3.908 50 40 GHGB N#CC1=C(N)O[C@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1 5604406 NWGBPCLASWEUOS-MDZRGWNJSA-N 384.361 3.875 50 40 GHGB O=C(COc1ccccc1Cl)NNC(=O)C(c1ccccc1)c1ccccc1 5772993 YIOQVERICBDQLN-UHFFFAOYSA-N 394.858 3.698 50 40 GHGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)CCl)cc1 14404881 VVUIVCUINSTOAZ-UHFFFAOYSA-N 382.851 3.919 50 40 GHGB COc1ccccc1OCC(=O)N/N=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C 208205978 JAMPNSZEHZBHHW-SGMWPGOQSA-N 395.503 3.946 50 40 GHGB CCOc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(Cl)cc1Cl 226361245 PSJBIXSQSSATBF-XBXARRHUSA-N 381.259 3.974 50 40 GHGB CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1 3174650 XTYQRTCAIKOSDF-UDWIEESQSA-N 391.265 3.767 50 40 GHGB C[C@]1(C(=O)[C@H](Br)[C@H](Br)c2ccc(Cl)cc2)CO1 5530998 UGKLSWVMIVMWFN-CKYFFXLPSA-N 382.479 3.898 50 40 GHGB COc1ccc(-c2csc(N(/N=C/c3ccc4c(c3)OCO4)C(C)=O)n2)cc1 4478112 XNFLVTTYZAFEMO-UFFVCSGVSA-N 395.440 3.934 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2F)c1C 5870527 IUWHPXARFKTAPP-GZTJUZNOSA-N 383.423 3.743 50 40 GHGB O=C(NNC(=O)c1ccco1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 6517130 QMEZJYGAXPJUDH-UHFFFAOYSA-N 392.440 3.523 50 40 GHGB Cc1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)n1-c1ccccc1 6565505 VWVPRCHWIXGSJK-UHFFFAOYSA-N 388.456 3.510 50 40 GHGB Cc1ccc(C(=O)NNc2ncc(Cl)c(C(=O)Nc3ccccc3C)n2)cc1 11915397 YQTLNLQACYUIRC-UHFFFAOYSA-N 395.850 3.756 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 59474736 FIVHXSBQIIPJRV-FZJZADEZSA-N 383.879 3.967 50 40 GHGB O=C1C[C@]2(C[C@@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)C(=O)O1 103905073 MCPBDEMKBSKYSO-DJLDLDEBSA-N 384.857 3.682 50 40 GHGB O=C(N/N=C/c1cc(Cl)ccc1O)c1cc2cc([N+](=O)[O-])ccc2s1 107630400 NJCCHYJMLRPVJC-QGMBQPNBSA-N 375.793 3.932 50 40 GHGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1 408583918 YSDOGJFZXPQUHS-RIYZIHGNSA-N 388.217 3.985 50 40 GHGB CCn1c(SCC(=O)N/N=C\c2sccc2C)nnc1-c1ccc(C)cc1 4679820 SKDITFYANSXTEO-JAIQZWGSSA-N 399.545 3.886 50 40 GHGB COc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Cl 8336646 ZSSFWEVOCUEKKR-FBCYGCLPSA-N 399.303 3.651 50 40 GHGB CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCc3ccccc32)cc1OC 12766845 CLTKINMRMSRBPK-LJQANCHMSA-N 396.487 3.755 50 40 GHGB CC(/C=C/c1ccccc1)=N/NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 13882108 HSIGJDYJNCDQIJ-PWANRAHYSA-N 375.350 3.849 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1Br 18173424 HWVXBBOWPFFMRJ-KPKJPENVSA-N 377.263 3.743 50 40 GHGB O=C(O)COc1ccc(/C=N\NC(=O)Nc2ccccc2Cl)cc1Cl 408858392 RWILTTTVWXUIKC-UWVJOHFNSA-N 382.203 3.612 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1 1058993 KPNAOIDXMOVWAQ-UDWIEESQSA-N 378.881 3.990 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)CCc2ccccc2)cc1Br 3152264 LBZSGZDBACUEHQ-UDWIEESQSA-N 391.265 3.549 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 5355408 RPWZPJYUGMVYGE-KEBDBYFISA-N 376.865 3.510 50 40 GHGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(C(F)(F)F)cc2)cc1 6671767 ULHKSKMURHEQIK-LFIBNONCSA-N 382.363 3.965 50 40 GHGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccccc1OC(F)F 6813963 JOKMYESNIMHRCE-HNNXBMFYSA-N 380.354 3.896 50 40 GHGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1cccc2ccccc12 8733118 ANZIEFIMKWQYQP-HNNXBMFYSA-N 377.282 3.848 50 40 GHGB CCC[C@H](C(=O)NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccccc1 9592840 NKTUIZNUJOOFAR-ZBFHGGJFSA-N 396.516 3.828 50 40 GHGB C[C@@H]1CCCC/C1=N/NC(=O)CCC(=O)Nc1ccccc1Br 15931096 XOBCLYPJKXSZBA-KMCFQHSYSA-N 380.286 3.850 50 40 GHGB CCCc1ccc(OCc2ccc(C(=O)N/N=C\c3ccncc3)o2)c(OC)c1 33301438 JJSDBXVLUWBPRJ-OYKKKHCWSA-N 393.443 3.979 50 40 GHGB Cc1cc(=O)oc2c(C)c(O)c(C[C@H](Br)CBr)cc12 102480318 OXQGQPSBPWFKCD-JTQLQIEISA-N 390.071 3.816 50 40 GHGB C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(I)cc1 408786448 KDMPRZNAHIGERL-LDADJPATSA-N 378.213 3.754 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)c(O)c1 409391653 KLZCONPKPDLQKY-WSDLNYQXSA-N 386.448 3.739 50 40 GHGB O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(OC[C@@H]2CCCO2)cc1 2635438 SLAAKOMWPSKLIB-LBPRGKRZSA-N 384.329 3.558 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1 4199178 NUPWVWTZYWUKAR-CIAFOILYSA-N 396.244 3.691 50 40 GHGB COc1cc(OC)c(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1Br 408718973 ZGWLAUVYTGKQCQ-FNQBDXDRSA-N 395.297 3.743 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1cc(C(=O)O)ccc1Cl 408784361 QPBISFBTFLNDFD-PXNMLYILSA-N 385.851 3.877 50 40 GHGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1Cl 1434509 YXJZOUAFLMXTTM-GFCCVEGCSA-N 387.650 3.857 50 40 GHGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 2078468 PLYLLBJSHOWTLT-CIAFOILYSA-N 379.372 3.936 50 40 GHGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1 3166047 CWHHMRBQVFXHSX-YBFXNURJSA-N 380.316 3.527 50 40 GHGB CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 5126192 PCYUPNKVEMVTDR-BKUYFWCQSA-N 377.404 3.701 50 40 GHGB CCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c(O)c1 5336188 DWGOJACNILBYOJ-BUVRLJJBSA-N 390.439 3.987 50 40 GHGB C/C(=N/NC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)C(F)(F)F)c1 5885545 KFFRSEBLVWRCDA-RMORIDSASA-N 383.757 3.995 50 40 GHGB CC(C)Oc1ccc(C(=O)NNC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1 40143913 XMJASZKEXYVDBP-UHFFFAOYSA-N 389.814 3.822 50 40 GHGB Cn1c(C(=O)NNC(=S)Nc2ccccc2)ccc1-c1ccccc1Cl 67299944 YZSNQGCIGAPMEN-UHFFFAOYSA-N 384.892 3.977 50 40 GHGB CN1/C(=C(\C#N)C(=O)COc2ccc(-c3nnco3)cc2)Sc2ccccc21 102287526 NJSVAVYAHFJOEH-HKWRFOASSA-N 390.424 3.662 50 40 GHGB COc1cc(C)c(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC 408549649 WGYKXKVMRCRABH-KSEXSDGBSA-N 380.366 3.724 50 40 GHGB C=CCc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1O 408747407 NKZAYVBBQXELKL-UQQQWYQISA-N 386.451 3.507 50 40 GHGB Cc1cc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(=O)[nH]c2cc1C 876531 FDAVQRVATYYACK-LJQANCHMSA-N 389.455 3.596 50 40 GHGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1433621 QNQOSYFAVDPSGZ-MFKUBSTISA-N 387.439 3.776 50 40 GHGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 4697550 WFAZSOSBTFMTSG-ZMOGYAJESA-N 377.366 3.769 50 40 GHGB CCOC(=O)/C(C#N)=C/Nc1ncc(-c2ccc(Br)cc2)s1 5598042 JDZXHISJDAVHQU-DHZHZOJOSA-N 378.251 3.955 50 40 GHGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc(C)cc3)[nH]n2)ccc1OC(C)C 9363619 FYXIKKIJFFIWFX-YDZHTSKRSA-N 392.459 3.945 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1 17253208 SDLVXQQKZZJRDI-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB CC(C)Oc1ccc(C(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 17293535 RGDAIMSEOLYEKW-UHFFFAOYSA-N 390.867 3.746 50 40 GHGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1 33909901 CWHHMRBQVFXHSX-ODLFYWEKSA-N 380.316 3.527 50 40 GHGB O=C(c1ccc(Br)cc1F)[C@@H](Br)CBr 306700009 YCYMQMMBWMSYBH-ZETCQYMHSA-N 388.856 3.929 50 40 GHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNc1ccc(Br)cc1 409362092 RVUAINWGNXXMHI-UFFVCSGVSA-N 385.265 3.801 50 40 GHGB O=C(CSc1ncnc2sc3c(c12)CCC3)NC1=CC=CC[C@H]1Cl 950106 MRAJNBLYWOMKNX-LLVKDONJSA-N 377.922 3.840 50 40 GHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408971187 DCDJEYAOQKTPPA-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB CCc1sc(C(=O)NNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1C 40119780 FULWBCAMMXIFOJ-UHFFFAOYSA-N 386.502 3.542 50 40 GHGB COc1ccc(/C=C/C(=O)OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)cc1 102504756 PFXDEFGHXPLVTQ-FMNKRYGQSA-N 384.476 3.570 50 40 GHGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc1O 1092213 GKKHKXWSXAAOGR-QKIXXSFTSA-N 377.444 3.895 50 40 GHGB N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1cccc(F)c1 12275379 BETHEISNZHZPTK-UZLBHIALSA-N 384.407 3.608 50 40 GHGB CC[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cccc(OC)c1 695752 LHMMHIJZCSOUPE-XNHPLOEXSA-N 390.281 3.799 50 40 GHGB Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H]3CC[C@]2(C)[C@@]3(C)CBr)cc1 100869202 LNGUCYLTDFRBSZ-XCBBSPJBSA-N 399.354 3.851 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 101286030 CFAMORRQVRDNQF-ZVHZXABRSA-N 385.423 3.515 50 40 GHGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1 409001868 XFBZJTOQAFUPON-OQLLNIDSSA-N 376.368 3.770 50 40 GHGB COc1ccc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc1Br 409363511 MBOWCDOGGWXKMW-JAIQZWGSSA-N 375.266 3.767 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)o1 14407559 UOLONGKVCZZYBB-CIAFOILYSA-N 379.372 3.839 50 40 GHGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(N)=O)n2)cc1 2317490 AUPAXNZRUDGFQJ-SDNWHVSQSA-N 376.441 3.894 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 3118214 FWXKVZSMKOYMAZ-AWQFTUOYSA-N 383.231 3.540 50 40 GHGB COc1ccc(-c2nc3cc(NC(=O)CBr)ccc3o2)cc1OC 4507016 CRFZAGYQBCNINI-UHFFFAOYSA-N 391.221 3.845 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1 4723073 LLMPXSGBAKOHSQ-UKTHLTGXSA-N 393.355 3.680 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc([N+](=O)[O-])c1O 59145577 XMHYZEGYQHIGKI-OVCLIPMQSA-N 381.388 3.862 50 40 GHGB COc1cc(OC)c(NC(=O)C/C(C)=N/NC(=O)c2cccs2)cc1Cl 101511014 NNBGDJUMURDBHC-KEBDBYFISA-N 395.868 3.553 50 40 GHGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2C(F)(F)F)[C@H]2CSCC=C12 1052098 UAPYAUOPIUSTSK-HOCLYGCPSA-N 386.402 3.862 50 40 GHGB CCOC(=O)[C@@](C)(Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 1610664 MVGFKXXKGBIFIE-PWSUYJOCSA-N 395.047 3.748 50 40 GHGB CC1=C(Cl)/C(=N/S(=O)(=O)c2ccc(C)cc2)[C@H](Cl)[C@](C)(Cl)C1=O 4387352 KLQXEAQCFRZMLQ-VOFUZEFRSA-N 394.707 3.825 50 40 GHGB C=C(C)C(=O)Nc1cccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1 5697213 GZRVIKVXHCVWGU-HYARGMPZSA-N 380.404 3.572 50 40 GHGB CC/C(=N\NC(=O)COc1ccccc1OC)c1ccc(OC(F)F)cc1 5866081 MQNAVCBMTZJYNF-PXLXIMEGSA-N 378.375 3.606 50 40 GHGB Cc1n[nH]c2c1[C@H](c1ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2 5941194 YVQISVXQQWXCGU-INIZCTEOSA-N 397.778 3.758 50 40 GHGB O=C(N/N=C/c1ccc(/C=N/NC(=O)C2CCCCC2)cc1)C1CCCCC1 6241399 ORVGMIRUGBJVGQ-DFEHQXHXSA-N 382.508 3.747 50 40 GHGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 32508924 BNHRKUGIBFFYHX-OVNPTBDBSA-N 382.203 3.819 50 40 GHGB Cc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)o1 59488457 QBAJVLGAIVIGNB-YBFXNURJSA-N 392.253 3.610 50 40 GHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1F 1427493 FTVBEUCSRJCSJS-FBCYGCLPSA-N 386.166 3.570 50 40 GHGB O=C(CNc1cccc2ccccc12)N/N=C/c1cc2c(cc1Cl)OCO2 3092438 HXAZJYABDMBGBO-AUEPDCJTSA-N 381.819 3.784 50 40 GHGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)c(OC)c1 5490745 PFGYTOXDIGBOSR-GOSISDBHSA-N 388.427 3.621 50 40 GHGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1 12275704 ZXKZCHSBYPNYMP-GCJKJVERSA-N 392.480 3.647 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13562890 GXZXUSRMYTVSMH-FBKQIBBUSA-N 396.443 3.815 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)[C@H]1COc2ccccc2O1 13617340 IDVWDQOWVZLHMK-VCYKRWNGSA-N 382.803 3.890 50 40 GHGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 13897235 ULEZFSCHGPUYBH-ZSOIEALJSA-N 383.201 3.589 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1 20197269 FPGQVZGYRYXACB-YBFXNURJSA-N 377.238 3.707 50 40 GHGB CC(C)CCn1c(=O)c(C(=O)N/N=C/c2cccc(F)c2)c(O)c2ccccc21 100534748 QUYKXWYESZVGPC-ZMOGYAJESA-N 395.434 3.656 50 40 GHGB COc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1 2140305 FTKVMKFRVSKWPW-DOPJRALCSA-N 380.282 3.793 50 40 GHGB COC(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 2217238 JUQAWZCTFXRYRQ-DJKKODMXSA-N 393.783 3.526 50 40 GHGB COc1cc([C@@H](O)P(=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC 2577604 RABRAJSHLFYTPR-QFIPXVFZSA-N 398.395 3.717 50 40 GHGB C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cl 4570781 IAEDIPSABZVYGY-INIZCTEOSA-N 389.238 3.820 50 40 GHGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccccc1COc1ccccc1 12754742 BIJAXFJTJAFIHZ-UHFFFAOYSA-N 385.423 3.822 50 40 GHGB O=C(NNC(=O)c1occc1-c1ccccc1)c1ccc(Br)cc1 12775371 XHEQUZRGXCULTP-UHFFFAOYSA-N 385.217 3.784 50 40 GHGB C/C(=N\NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(Br)cc1 13882067 MBAYGTIWWPWXRB-KEBDBYFISA-N 394.656 3.581 50 40 GHGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)cc1 30820836 LKTBXNPNUJGCRE-HKMXWPIPSA-N 385.420 3.646 50 40 GHGB O=S(=O)(Nc1c(F)c(F)c(O)c(F)c1F)c1ccc(CCCCl)cc1 89787446 DCGHITNRLZWCDD-UHFFFAOYSA-N 397.777 3.921 50 40 GHGB O=C(CCCCC(=O)N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2)N/N=C\[C@H]1C[C@H]2CC[C@H]1C2 104021912 BSLBPCGUEKNUFS-JUEUOEDPSA-N 386.540 3.623 50 40 GHGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccc(OC)c3)o2)c1 408726688 PBCVGCGUTVNEHW-LPYMAVHISA-N 378.384 3.506 50 40 GHGB O=C(CCC(=O)N/N=C/c1ccc(Cl)cc1Cl)NCc1ccccc1 3168714 WWQVKLRTMZIEIL-WSDLNYQXSA-N 378.259 3.540 50 40 GHGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(C(=O)OC)cc2s1 20133051 MNDDNRGBHYVBOZ-SNVBAGLBSA-N 385.283 3.975 50 40 GHGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(O)cc2)cc1OC 33763865 VLHFGRPKQXWOJO-KIHMUJGBSA-N 376.840 3.995 50 40 GHGB COc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c(OC)cc1Cl 44167189 WRKIZKSABKEFGX-UHFFFAOYSA-N 394.811 3.787 50 40 GHGB COc1ccccc1OCC(=O)N/N=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C 208205931 JAMPNSZEHZBHHW-DNPFKWNUSA-N 395.503 3.946 50 40 GHGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Cl)cc1 216911312 HGJHMGFCDVGOAJ-UHFFFAOYSA-N 385.851 3.704 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 408719493 QIHQDUYGUJVSAG-DJKKODMXSA-N 393.852 3.640 50 40 GHGB N#Cc1ccc(COc2cccc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2)cc1 409193929 IBIKVGNGXBCRPL-PVPASAESSA-N 394.434 3.895 50 40 GHGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(OCC)c2)cc1OC 409322583 KTCDSYUNFSFKDZ-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)sc(C)c1C 2669824 ZPEJHFGUUGNXFD-NTEUORMPSA-N 399.428 3.996 50 40 GHGB O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 45438642 DFHXKRMEAVIXCI-IAGOWNOFSA-N 393.409 3.834 50 40 GHGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)ccc1Cl 408723067 MHLTWHBRCUYCCD-SSDVNMTOSA-N 383.791 3.546 50 40 GHGB CC1(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)OCCO1 409045998 HTKJUQBTJNODFI-LPYMAVHISA-N 388.851 3.522 50 40 GHGB N#CC1=C(SCC(=O)Nc2cccc(F)c2)NC(=O)C[C@@H]1c1ccc(F)cc1 12276777 ANEVWTWMQWVFOK-MRXNPFEDSA-N 399.422 3.675 50 40 GHGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)c2ccc(C#N)cc2)cc1OC 1127969 ZLBDFOVJMPIGOF-FRKPEAEDSA-N 382.803 3.836 50 40 GHGB CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(CBr)[C@@H]2Br 103708453 OZJYQWHCUOQKDZ-WQGWLQIFSA-N 388.925 3.668 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408995820 DZYSTUPTQMQLAO-LSHDLFTRSA-N 383.791 3.644 50 40 GHGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1 5444937 CZAAZORRYSKJGT-GOSISDBHSA-N 386.411 3.586 50 40 GHGB CCOC(=O)/C(C#N)=C(\SC)C1=C([C@@H](C#N)C(=O)OC)CCCCCC1 5472260 QKZJVFQQKFYLDD-PKRNHPMPSA-N 376.478 3.654 50 40 GHGB COC(=O)/C(C#N)=C1/C=C(c2ccc(OC)c(OC)c2)Oc2ccc(C)cc21 935994 GIDMWJXWLYQSJO-ICFOKQHNSA-N 377.396 3.896 50 40 GHGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1cc(Br)ccc1O 1480583 MXJKKPMGKVTFET-UFWORHAWSA-N 397.656 3.646 50 40 GHGB O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 4380719 NFHCIUSAMJKUAF-UYRXBGFRSA-N 385.323 3.577 50 40 GHGB C/C(=N\NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 8494782 JFYYQTILRCNJSD-FVQJWRHTSA-N 376.412 3.876 50 40 GHGB CCOc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1O 17080760 NCCLMCFOYFLBKT-SFNRKTQPSA-N 395.297 3.830 50 40 GHGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC#N)c2C)cc1C 20243775 NXAQWSFFDJGVOT-UFFVCSGVSA-N 387.281 3.837 50 40 GHGB COc1ccc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1 20518352 AJHNSIOCFMVBSS-QGZVFWFLSA-N 381.457 3.503 50 40 GHGB CC(/C=N\NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)=C/c1ccc(C(C)C)cc1 32465127 DGIXDQQDSJIVNS-KVSQJWSESA-N 394.431 3.862 50 40 GHGB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)OC(CCl)CCl)cc1 254447448 CKRBMAIGKLWNGT-MGBSGCIJSA-N 382.287 3.761 50 40 GHGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 409362038 FGFKJDCPZBXXIJ-OEAKJJBVSA-N 376.412 3.900 50 40 GHGB C[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1cc(Br)ccc1O 654833 RNPAFDQMHCIVII-XPAGJJBOSA-N 396.672 3.759 50 40 GHGB COc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 657547 GTEYFXLACBBQMT-DJKKODMXSA-N 397.656 3.884 50 40 GHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 946094 SEFHTQGGVXVVGL-SRZZPIQSSA-N 388.387 3.539 50 40 GHGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1ccccc1 16807739 RDTDZFCSCVOIQG-XSSVRIRQSA-N 380.680 3.517 50 40 GHGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1OC 20033335 LHTPANQVLPPLPB-SFHVURJKSA-N 388.427 3.621 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccc(F)cc1 58853137 XKHHCYOYOMTXJR-BZLIYVJTSA-N 393.418 3.523 50 40 GHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1 408976641 BMCJOXODWWICRO-QQZPLFJDSA-N 391.830 3.807 50 40 GHGB C=CCOc1cccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)c1 409325815 BJXACJXNPBGVQD-KQWNVCNZSA-N 380.444 3.979 50 40 GHGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccccc1 409382110 YBXQRUBXGWWSTQ-CIAFOILYSA-N 388.265 3.576 50 40 GHGB N#C/C(=C\c1ccc(I)cc1)C(=O)NC1CCCCC1 1450970 QSKVZFLDDQUGPW-JLHYYAGUSA-N 380.229 3.647 50 40 GHGB CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c2C1 4677649 LRXYKDUXYDUMOT-STCDJXRXSA-N 383.452 3.623 50 40 GHGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 12562152 IZZOUYOAMJZDAP-SSDVNMTOSA-N 380.326 3.566 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2ccccc2SCc2c(C)noc2C)n1 12926112 DNMVAMFNZVMVSG-UHFFFAOYSA-N 383.477 3.747 50 40 GHGB COc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)cc1Br 30838782 PGPVMOSMEMVJGY-JMIUGGIZSA-N 391.265 3.604 50 40 GHGB CCOC(=O)/C(CC(=O)c1ccc(C)cc1)=N/NC(=O)c1cccc(Cl)c1 59488952 JDIARXQIWXXEAC-OQKWZONESA-N 386.835 3.570 50 40 GHGB O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc2oc(=O)ccc2c1 67719350 GICDSMZAKVZKAF-UHFFFAOYSA-N 379.294 3.840 50 40 GHGB Cc1cc(C)c2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(=O)[nH]c2c1 876527 HCRUWPUHEOHANT-LJQANCHMSA-N 389.455 3.596 50 40 GHGB O=C(CCCCCCCCC(=O)N/N=C/c1ccco1)N/N=C/c1ccco1 4887518 JXQWBPVIVYZQDL-YHARCJFQSA-N 386.452 3.594 50 40 GHGB COc1ccc([N+](=O)[O-])cc1OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 12539310 JOCCBNPEEMNXPY-CPNJWEJPSA-N 397.412 3.529 50 40 GHGB C[C@@]1(CBr)[C@H]2CC[C@@]1(CBr)C(=O)[C@H]2Br 101041821 FYVXSJHUBPYLLD-AKEJEFCPSA-N 388.925 3.525 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408567378 DJJYVFOJWFDNBO-UDWIEESQSA-N 388.514 3.703 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1 408725783 HSXHIXGKVMHLAH-RGVLZGJSSA-N 387.461 3.766 50 40 GHGB CSc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 409007454 WNHRAHOGVLXDTI-HZHRSRAPSA-N 395.528 3.719 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4275592 IKSRWNDCHFSVFG-GOSISDBHSA-N 377.356 3.670 50 40 GHGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1O 4827645 QQXFUBULHPUAJA-KEBDBYFISA-N 385.763 3.978 50 40 GHGB C=CCOc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1 6761219 MZICPYKXSPDMLF-XIEYBQDHSA-N 386.451 3.638 50 40 GHGB CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1 12975315 BINZKECDZRVXJD-CYBMUJFWSA-N 386.473 3.878 50 40 GHGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)CCl)c1 14405022 IMNOSSGNVAGWFY-UHFFFAOYSA-N 382.851 3.919 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 33597704 MIKBSYOKHIFWCS-VXLYETTFSA-N 385.401 3.591 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 408587004 DKPKBMYTFCYKOH-BUVRLJJBSA-N 391.471 3.804 50 40 GHGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1 408761401 JTLKWGDYUSYMJQ-HYARGMPZSA-N 389.367 3.578 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(/C#N)c1nc2ccc(OC)cc2[nH]1 409391819 LPANRQCFPQRAAR-GDNBJRDFSA-N 377.400 3.578 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)c1 8812251 SEBMPXIGNFLUKD-ZMOGYAJESA-N 393.418 3.784 50 40 GHGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13562888 GXZXUSRMYTVSMH-CIJMEZBMSA-N 396.443 3.815 50 40 GHGB O=C(Cc1cn2ccsc2n1)N/N=C/c1cccc(OCc2ccccc2)c1 6210330 NIOZZLKBIDHXFK-LPYMAVHISA-N 390.468 3.668 50 40 GHGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc2c(c1)CN(c1ccccc1)C2 83328176 BIEDRQCGGIMDME-MSXFZWOLSA-N 385.423 3.699 50 40 GHGB CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(/C)c2cccnc2)C1 97962593 DXAQEGQYDZQEFD-JHMOUWFPSA-N 386.540 3.911 50 40 GHGB O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1Cl 3088992 XZXIRIHBGKFKCD-LSHDLFTRSA-N 383.757 3.838 50 40 GHGB COc1ccc2c(Cl)c(C(=O)N/N=C3/C(=O)Nc4ccccc43)sc2c1 6373191 JFBDCEJLNKMBGI-UHFFFAOYSA-N 385.832 3.650 50 40 GHGB CCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccc(OC)c3)[nH]n2)cc1 4981550 VNDMVUWCLNNQEH-HMAPJEAMSA-N 378.432 3.638 50 40 GHGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 2201267 NGWAASFYEFHMDV-GOSISDBHSA-N 393.830 3.670 50 40 GHGB CCOc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1OC 4136044 LPZUIGMMTQIGSU-KSSPAFGBSA-N 390.443 3.913 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 6453927 MXUBLEIZYXHPGO-VXLYETTFSA-N 385.401 3.591 50 40 GHGB COC(=O)C1=C(C)NC(SCc2cccnc2)=C(C#N)[C@@H]1c1cccs1 20621659 YHGSNLBWZAHKLS-QGZVFWFLSA-N 383.498 3.945 50 40 GHGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(SC)cc1 408750025 WJNMPROXAQSTHR-VCHYOVAHSA-N 379.279 3.944 50 40 GHGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408803611 RGAOPDYJAHXUSO-GHRIWEEISA-N 376.412 3.652 50 40 GHGB C=CCc1cc(/C=N\NC(=O)COc2cc(C)cc(CC)c2)cc(OCC)c1O 408853556 PKUAYDGYYHQXFN-OYKKKHCWSA-N 396.487 3.919 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)c([N+](=O)[O-])c1 409385761 KBASOKGOJHDJDT-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)c2cccc(C)c2)cc1Br 668245 PSJCXNGAVYSQGM-VXLYETTFSA-N 377.238 3.539 50 40 GHGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccncc1 4117364 PWNQDOGHFDJICB-FSJBWODESA-N 397.479 3.872 50 40 GHGB Cc1ccc(CN2C[C@H](C(=O)NNc3cccc(C(F)(F)F)c3)CC2=O)cc1 68773913 IBYZOISBSCVDNV-OAHLLOKOSA-N 391.393 3.506 50 40 GHGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccccc2F)cc1 408849939 BEQRGLBONNYDDT-ZMOGYAJESA-N 392.386 3.867 50 40 GHGB Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408873182 ODYDLNOZBDGBPS-GRSHGNNSSA-N 395.400 3.636 50 40 GHGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)c1 409141543 VIULCZQNVHMLTF-PDGQHHTCSA-N 379.435 3.825 50 40 GHGB Cc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Br 3025098 LVUJIMAZACLJTF-DJKKODMXSA-N 381.657 3.940 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 5542949 SEFXKASFAGLWIF-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB COc1cc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc([N+](=O)[O-])c1O 12889879 RXFJKUVPUBCAQK-DUXPYHPUSA-N 377.780 3.692 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c1 33795650 CELCHJGOGJFTGJ-VXLYETTFSA-N 385.401 3.591 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)ccc1O 59503619 SVNCAOBMMAYXHL-ZMOGYAJESA-N 387.439 3.685 50 40 GHGB COC(=O)[C@H](Cl)[C@H](Cl)c1cccc([C@H](Cl)[C@H](Cl)C(=O)OC)c1 68563445 MXRXXKSKCXFTAW-BKUVIOGVSA-N 388.074 3.807 50 40 GHGB biogenic CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(C)ccc1C 408709040 WSHNGHJNZOVHFJ-FSJBWODESA-N 386.883 3.677 50 40 GHGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1 409000950 ZEKHXDQENWWYOA-WSDLNYQXSA-N 379.416 3.546 50 40 GHGB CCOC(=O)/C(C#N)=C/c1ccc(OC)c(Oc2nc(Cl)ncc2F)c1 409006812 LEARLWILUJTGDX-IZZDOVSWSA-N 377.759 3.540 50 40 GHGB O=C(Cc1ccccc1)NNC(=O)NCCC(c1ccccc1)c1ccccc1 24646265 AGDRKRPJYRCJMP-UHFFFAOYSA-N 387.483 3.782 50 40 GHGB C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(Br)c1 4705504 KAFICPGUXRRZDB-UDWIEESQSA-N 383.249 3.993 50 40 GHGB CCN1C(=O)/C(=N/NC(=O)COc2ccccc2-c2ccccc2)c2ccccc21 4724334 HNOAKFLUZOHYQA-WNAAXNPUSA-N 399.450 3.619 50 40 GHGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc(Br)cc2)cc1OC 408588672 JFZXITYTERWKGL-DJKKODMXSA-N 397.656 3.884 50 40 GHGB COc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(F)cc3)c2C)c1 409239485 NBZBUQXSBSQPRH-ZVHZXABRSA-N 379.435 3.935 50 40 GHGB CCN1C(=O)/C(=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 5456049 GJVRIWJDRNOKOT-JGLUGSORSA-N 389.499 3.975 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC(F)F)cc1 715688 TXYWRDCIZLJCRS-OAHLLOKOSA-N 382.322 3.613 50 40 GHGB COc1cc(C(=O)NNc2nc3c(C)cc(C)cc3s2)cc(OC)c1OC 4121448 ALWSENPMMSCCQU-UHFFFAOYSA-N 387.461 3.696 50 40 GHGB CS(=O)(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 7714110 KIXJQYSPLGAEPE-MHWRWJLKSA-N 392.274 3.937 50 40 GHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1C 12859190 XLOJWXGECLALPR-AWQFTUOYSA-N 375.812 3.703 50 40 GHGB CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 14333283 APRNMZHUJPTSHC-SCUMNGBJSA-N 384.520 3.943 50 40 GHGB COc1ccc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC 16740897 NFYNDHXDWAICRA-CIAFOILYSA-N 376.840 3.665 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc([N+](=O)[O-])c1O 38395380 SAEKADLPXJOEFC-LFYBBSHMSA-N 387.779 3.817 50 40 GHGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(I)o1)c1ccccc1 408806581 FNLHYNSKGIOFMU-GJSJWPQCSA-N 392.196 3.669 50 40 GHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC(C)C)cc1 408806888 CCKAFQMGPUHBEF-GZTJUZNOSA-N 394.427 3.815 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 409005254 GVKYJIZFRNHXSS-MFKUBSTISA-N 395.478 3.952 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 12577456 WKUPKWYHLSLMGY-OHBSIKEHSA-N 397.258 3.928 50 40 GHGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 59434242 ZYRFLBCASRZEFW-LSFURLLWSA-N 383.757 3.756 50 40 GHGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3cccc(O)c3)cc12 3251439 RCLBWMONERXAMW-CIAFOILYSA-N 376.441 3.865 50 40 GHGB N#C/C(=C\c1ccc(Cl)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 5524869 SKXVDIJDCFPFNE-SAPNQHFASA-N 391.862 3.821 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1OCC 409142925 FQSZRSVURHXDAZ-LPYMAVHISA-N 386.835 3.523 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 33347318 MVJMAKNMDAILLL-ODLFYWEKSA-N 380.316 3.527 50 40 GHGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 137155381 LWMGKXSOBWICLC-OQLLNIDSSA-N 382.416 3.575 50 40 GHGB C[C@H](NC(=O)c1ccccc1NS(=O)(=O)CCCCCl)c1ccccc1 97165058 MVABASSCZXLGDA-HNNXBMFYSA-N 394.924 3.938 50 40 GHGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc21 208440160 BBYUIDDWEKGQFH-LPYMAVHISA-N 378.432 3.990 50 40 GHGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 688541 QCICHUASHJMQIX-HTAPYJJXSA-N 385.467 3.961 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC(=O)c2cccs2)cc1 709764 OLHORZVZNPZQGU-SFHVURJKSA-N 392.436 3.782 50 40 GHGB C=CCc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(OC)c1O 409216878 PIJXNUIYJUNTRG-JAIQZWGSSA-N 389.249 3.656 50 40 GHGB COc1cc(Cl)c(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC 66202164 KSJNEYIIJBWNCL-AWQFTUOYSA-N 383.231 3.540 50 40 GHGB Cc1c(C(=O)NN(C)c2ccccc2)cnn1-c1ccc(Br)cc1 40051505 FFJUTJFCMUCDPD-UHFFFAOYSA-N 385.265 3.724 50 40 GHGB CCOc1c(Br)cc(/C=N/NC(=O)c2cccs2)cc1OC 8079073 DQAGGBZYAOGOII-RQZCQDPDSA-N 383.267 3.682 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ncccn3)c2C)c(C)c1 5740205 PTIBLGPIWWUZKB-WYMPLXKRSA-N 393.516 3.743 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OC 6367603 UYJYVFSVEMPHGT-LPYMAVHISA-N 383.835 3.912 50 40 GHGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccccc1)C(C#N)=C(N)O2 1471948 RTSCUGALQTUXSB-NRFANRHFSA-N 383.451 3.618 50 40 GHGB biogenic Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1 6477549 SUFBKVLLURNRNH-JZXOWHBKSA-N 397.544 3.856 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OC(C)C 7384826 HWXCCDGMDBBGIY-HZHRSRAPSA-N 381.476 3.847 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 10476004 IOOORWFKSMAXPI-XQNSMLJCSA-N 384.476 3.966 50 40 GHGB COc1ccc(Br)cc1/C=N\NC(=O)COc1cc(C)ccc1C 30824160 ITIHHEJXIAMFOP-JMIUGGIZSA-N 391.265 3.604 50 40 GHGB C#CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408851820 AFNROJFPVYTIMS-MTJSOVHGSA-N 397.228 3.971 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccc(Cl)cc1 409094440 DEDMEXSBOBVRQF-LPYMAVHISA-N 387.867 3.721 50 40 GHGB C/C(=N\NC(=O)COc1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C 585087420 GDRMYYWEBJRDFI-SSDVNMTOSA-N 391.258 3.799 50 40 GHGB COc1ccc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc2c1 872617 WEDKYCZLCLWWEC-QGZVFWFLSA-N 381.819 3.712 50 40 GHGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@@H](O)c1ccccc1 1253752 NZLWWVCMKGELJM-JKJLQIMHSA-N 383.451 3.873 50 40 GHGB O=C(O)CCCC(=O)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 1810630 LCOJGKMWYKXERH-UHFFFAOYSA-N 384.823 3.648 50 40 GHGB C/C(=N\NC(=O)c1ccccc1)c1cc2cc(Br)ccc2oc1=O 4769986 SCUDISLLKXQALE-RGVLZGJSSA-N 385.217 3.710 50 40 GHGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC)cc1OC 6324442 GDOLOEDNZOSEIN-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 9088546 NKRBOPIMGXYFBX-CQSZACIVSA-N 378.881 3.755 50 40 GHGB CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCOCC1)=C(C#N)[C@H]2c1ccccc1 18091154 XFOLXLAOZVTGPK-PXMCARDJSA-N 391.471 3.539 50 40 GHGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@H]1c1ccccc1Cl 33775842 PJQHQIKZSCLDQQ-YMTYPPQLSA-N 381.863 3.973 50 40 GHGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(N)=O)cc1 35110132 XTUJDJLEOSHSGI-IMGOXIFKSA-N 397.887 3.560 50 40 GHGB COC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)o2)c1 409384193 AWAMWGWOYSSHTJ-GZTJUZNOSA-N 375.384 3.794 50 40 GHGB COc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C#N)cc(OC)c1OC 3195921 YOGKBVWFXWSMLI-UHFFFAOYSA-N 386.411 3.996 50 40 GHGB COc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1Br 4616818 POUSSYJEYYWNKH-UHFFFAOYSA-N 398.644 3.578 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)OC 59335664 NATDKXYCMBBOHX-UYRXBGFRSA-N 390.439 3.821 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 408528490 HTCHBJKMRRQOSF-FOKLQQMPSA-N 396.378 3.865 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OC(C)=O 408767044 VASLQVHLBXFOCN-LFIBNONCSA-N 380.400 3.565 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408794017 HOBWXCGRGFGREV-LDADJPATSA-N 378.428 3.791 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)CCc1ccccc1 409046254 JPEKOBWPZIXGEP-KGENOOAVSA-N 385.261 3.544 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1O 409227937 XRHYEERYUUAILH-ZHZULCJRSA-N 376.456 3.785 50 40 GHGB O=C(c1c(F)c(F)c(F)c(F)c1F)[C@H](Br)CBr 575358628 JEWGOVOSWMFQBW-UWTATZPHSA-N 381.920 3.723 50 40 GHGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(F)cccc3Cl)[C@H]2C1 803579 VITDLNKSYWAGFK-KXBFYZLASA-N 395.869 3.614 50 40 GHGB CCN(CC)c1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 5568298 IVRMBFKARLGNPK-UHFFFAOYSA-N 378.520 3.915 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 6182600 UIGOLKDWDOOMRL-CIAFOILYSA-N 395.371 3.636 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)c1 6478841 BMFVJYIYGRILMY-KRWDZBQOSA-N 377.469 3.706 50 40 GHGB Cc1cc(SC#N)ccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 7051441 CLQMXEODVPUHQA-UHFFFAOYSA-N 376.459 3.530 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)COc2ccccc2)o1 408527580 GASCPSWGHSMOOQ-CIAFOILYSA-N 379.372 3.692 50 40 GHGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(N2CCOCC2)c(F)c1 409141092 IQGMXHPICWNWHJ-PCLIKHOPSA-N 391.446 3.508 50 40 GHGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2258031 REYALCMPGBJDER-SFHVURJKSA-N 393.830 3.670 50 40 GHGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CC3CCCC3)cc2)n1 12802081 WALSOBSQYVXTOW-UHFFFAOYSA-N 398.532 3.727 50 40 GHGB COc1ccc(OCc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)o2)cc1 2797415 ASPXOZRJTOGILR-HXUWFJFHSA-N 392.411 3.682 50 40 GHGB CN1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@H]2CC1 4113131 RHHRZOYFRPZABQ-MEDUHNTESA-N 384.270 3.696 50 40 GHGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)c1 409187337 PBSZOXRQGHJPMP-PDGQHHTCSA-N 378.428 3.871 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 408566321 FUJQVAPPEWYBSF-HYARGMPZSA-N 383.448 3.984 50 40 GHGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Cl)ccc3Cl)[C@@H]2C1 13116381 QVQWIHDOTPIENF-SJLPKXTDSA-N 398.297 3.739 50 40 GHGB CCCC1(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)OC(=O)[C@@H]12 100999938 DHVBBAMFXDEZTQ-LNIRIPBKSA-N 378.466 3.752 50 40 GHGB C/C(CC(=O)NC1CCCCCCC1)=N\NC(=O)COc1ccc(Cl)cc1 101157779 DSWNMSYBVPPSRI-HZHRSRAPSA-N 393.915 3.830 50 40 GHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Br)o1 1449516 DOEUWVMOAFNBIM-UBKPWBPPSA-N 392.036 3.878 50 40 GHGB CCCn1c(C)cc(C(=O)COC(=O)/C(C#N)=C/c2ccc(OC)cc2)c1C 5270468 GWNJTDQZUOFXKC-LDADJPATSA-N 380.444 3.857 50 40 GHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(OC)c(OC)c1 5713911 LGPYWRSHNWNSQP-BUVRLJJBSA-N 392.455 3.949 50 40 GHGB C#CCOc1ccccc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1 6324652 ZLPHZKBBUXMMOJ-KQWNVCNZSA-N 380.444 3.650 50 40 GHGB COc1cc(C)cc(C(=O)N(NC(=O)c2cccc(OC)c2C)C(C)(C)C)c1 136052847 VFPVUELTFFXJAO-UHFFFAOYSA-N 384.476 3.906 50 40 GHGB in-vitro COc1cc(C(=O)NN)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226326899 GIKXYWMNKJBGPU-UHFFFAOYSA-N 375.639 3.838 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)c([N+](=O)[O-])c1 409376620 BVFCGGFOMJIQFX-WSDLNYQXSA-N 384.436 3.536 50 40 GHGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2I)o1 941193 ZMFQRAMKQAWGKF-DHZHZOJOSA-N 378.169 3.738 50 40 GHGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OCC)[C@@H](C#N)C(O)=N1 2292018 KRXRGLBHTVKRKC-KDOFPFPSSA-N 399.472 3.700 50 40 GHGB Cc1ccc(C(C)C)c(OCC(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)c1 4363651 KAXRAXSOOYOTKP-UHFFFAOYSA-N 384.398 3.687 50 40 GHGB CC(C)(C)c1n[nH]c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 4494656 MFTOTHLPVGIHJN-GFCCVEGCSA-N 391.244 3.827 50 40 GHGB Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)OCc2ccccc2)=C1C#N 9329659 ODTJJAKPQLYFFU-SFHVURJKSA-N 392.480 3.810 50 40 GHGB C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)Cc1cccs1 101157982 IAANGZFIBDKFQM-YBFXNURJSA-N 394.294 3.574 50 40 GHGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1 409065163 HYSCLBBHHYNUPO-YDZHTSKRSA-N 397.862 3.995 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)[C@@H](O)c1ccccc1 409263879 CPMKQYVHUXLCNY-NIQDBXHUSA-N 399.790 3.692 50 40 GHGB COC(=O)N/N=C/c1cccc(OC)c1OCCCOc1cc(C)cc(C)c1 8952033 PICUHOWKTXOQLN-HYARGMPZSA-N 386.448 3.850 50 40 GHGB Cc1ccccc1NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 8048462 FJYKQJFYZGWQBB-UHFFFAOYSA-N 384.288 3.698 50 40 GHGB C#CCN1C(=O)/C(=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 5380045 GWSKLJGEQIDLND-HOVHKQMYSA-N 399.494 3.588 50 40 GHGB C/C(=N\NC(=O)CO/N=C(\C)c1ccc(Cl)c(Cl)c1)c1ccc(N)cc1 5494562 YXOKQXGVFGVOPS-FZTUDHCCSA-N 393.274 3.857 50 40 GHGB COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1Br 409366598 WVWJZHDIYKFOSR-AWQFTUOYSA-N 396.672 3.673 50 40 GHGB C=C(C)CNC(=S)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 16182263 LMBXVTCMCRGDFV-UHFFFAOYSA-N 382.514 3.648 50 40 GHGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1ccc(F)cc1F 8223383 OGDFTKSVTOUPAF-GFCCVEGCSA-N 385.370 3.738 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 408867963 KVPGWBXKWJARGH-AWNIVKPZSA-N 377.227 3.973 50 40 GHGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1Cl 16693890 QSVWJUYQBDGYDR-POHAHGRESA-N 393.255 3.701 50 40 GHGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 4505317 UUENMZAYQAVPIM-OGHMMLIOSA-N 394.471 3.701 50 40 GHGB CCOc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)cc1 4904251 ZBNJKQOEMIRWHC-OEAKJJBVSA-N 387.867 3.802 50 40 GHGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)NC[C@@H]1CCCO1 53625198 OJBWWWGMLWRJJJ-DGKKPVBHSA-N 380.419 3.607 50 40 GHGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 4503764 PJWGRFDKTCCJJX-LPYMAVHISA-N 378.384 3.580 50 40 GHGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 4724141 CJAWXFNURDUPIR-LSHDLFTRSA-N 388.851 3.895 50 40 GHGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2cccc(Cl)c2)cc1 14921895 NCCCGDLYJSHJJA-LPYMAVHISA-N 389.839 3.980 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)cc1 408527853 GPHWJTLBPZOMPZ-OEAKJJBVSA-N 377.444 3.632 50 40 GHGB N#C/C(=C/c1cccc([N+](=O)[O-])c1O)C(=O)Nc1cccc(C(F)(F)F)c1 409229645 SGJBXYZPVWJEAQ-XFFZJAGNSA-N 377.278 3.865 50 40 GHGB CCOc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)OC(C)C)cc1 409189633 LYVPKCJZXPUNPC-XKZIYDEJSA-N 399.447 3.571 50 40 GHGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(F)cc1 408567399 DMPCIGNTIHJHIR-RGVLZGJSSA-N 376.478 3.833 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)cc1OCC 5130108 GXXQAIUJPRNMBM-WXUSHSQQSA-N 385.489 3.676 50 40 GHGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cccc(Br)c1 657809 NHPCTDWZSFKTJL-CNHKJKLMSA-N 381.613 3.595 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)c(OC)c1 1092187 CAZWCZKMPOBFOK-FVQJWRHTSA-N 377.444 3.808 50 40 GHGB CCOC(=O)N/N=C/c1cn(CCOc2ccc(OC)cc2)c2ccccc12 2305504 SQCFIXOHVKNGOE-HYARGMPZSA-N 381.432 3.809 50 40 GHGB CCC[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1 2638590 SVRQYDJKOLVTAD-MRXNPFEDSA-N 375.266 3.794 50 40 GHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4155612 SWRMODZCKXDCOB-XTTRTJGBSA-N 382.203 3.819 50 40 GHGB CC/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 6377742 YFOLKSDLOCUFHC-LTGZKZEYSA-N 376.840 3.667 50 40 GHGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1 6441037 KMYFNXWWKSOJBA-KRWDZBQOSA-N 378.453 3.745 50 40 GHGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1c(O)ccc2ccccc12 110333868 GCZNKUWPBCWEFR-DHRITJCHSA-N 395.418 3.809 50 40 GHGB C=CCOc1cccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1 408532780 QYZPMLYEFOMNTP-WYMPLXKRSA-N 377.366 3.832 50 40 GHGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 409363858 ODEFUENJOXHCIT-OEAKJJBVSA-N 376.412 3.900 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 752465 WOGBCQGCWMTUEA-QRWLVFNGSA-N 387.395 3.803 50 40 GHGB Cc1ccc(Sc2oc(/C=N/NC(=O)CC#N)cc2Br)cc1 1097015 YNTZEKCKVZZEIF-GIJQJNRQSA-N 378.251 3.866 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2ccccc2C)nnc1-c1ccc(C)cc1 1297269 NDOAVMCSYPXBQZ-LPYMAVHISA-N 393.516 3.824 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccccc1F 2257858 VFROSQIDQIRJEF-WYMPLXKRSA-N 379.391 3.572 50 40 GHGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1ccccc1Cl 12787615 WNNUKDYMIOEEQB-CQSZACIVSA-N 382.847 3.651 50 40 GHGB Cc1occc1C(=O)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 102976727 GTYLLTGCEAXGPU-FCDQGJHFSA-N 393.830 3.922 50 40 GHGB COc1cc(C)c(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 107674482 DZMWUWDMPOTYGJ-NKVSQWTQSA-N 397.258 3.848 50 40 GHGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1c(F)cccc1Cl 108127884 JCVTYESCKJAICN-AUEPDCJTSA-N 381.794 3.743 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)O 408797514 SFBTUCWUDRNXPU-LICLKQGHSA-N 394.427 3.711 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC 409369371 LEKISNZURGJQIV-YBFXNURJSA-N 377.238 3.620 50 40 GHGB O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1Cl)c1cccnc1 1667953 QSEQKPVQNFUNRE-WSDLNYQXSA-N 399.709 3.783 50 40 GHGB Cc1ccc(NC(=O)NNC(=O)[C@H](C)Nc2ccc(Cl)c(Cl)c2)cc1 4016218 YHJHZYUYAYAZFQ-NSHDSACASA-N 381.263 3.955 50 40 GHGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 6889749 DITRXWOKNDKFLA-WPWMEQJKSA-N 395.462 3.802 50 40 GHGB CCOc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1 8569344 QVQLYCSUPGRRAD-MRXNPFEDSA-N 381.823 3.537 50 40 GHGB CCc1sc(C(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1C 12675195 WTMANWPQPXDFPU-UHFFFAOYSA-N 380.897 3.891 50 40 GHGB COc1ccc(CN2CSC3=C(C#N)[C@@H](c4cccs4)CC(=O)N3C2)cc1 20348038 PRDSIIBUNQDYDC-INIZCTEOSA-N 397.525 3.972 50 40 GHGB Cc1c(C(=O)NNc2ccc(F)cc2)cnn1-c1ccc(Br)cc1 40051320 HPCXAEVSWHTKBA-UHFFFAOYSA-N 389.228 3.839 50 40 GHGB CCCOc1c(Br)cc(/C=N/NC(=O)c2ccco2)cc1OCC 44204927 WQHSKMJZJJTAJK-YBFXNURJSA-N 395.253 3.994 50 40 GHGB C[C@@H]1CCCC/C1=N\NC(=O)CCC(=O)Nc1ccccc1Br 101532096 XOBCLYPJKXSZBA-JITPHZTJSA-N 380.286 3.850 50 40 GHGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Br)o1 408534964 WZDAWQVPGUGKIF-IFRROFPPSA-N 390.159 3.623 50 40 GHGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(Cl)ccc1C 408708040 NOHDSRHNJQDZTC-LSHDLFTRSA-N 393.274 3.632 50 40 GHGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(OC)c1 408800484 MVVPYXFRWJECGU-NTEUORMPSA-N 397.818 3.805 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 408842278 IRVDFBMWFXFMGQ-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)c(OC)c1 5358134 ARBBNVZHYGMDMM-KEBDBYFISA-N 378.881 3.741 50 40 GHGB CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)ccc3OC)[C@@H]2C1 16038140 MMCLSZOTVXTBKG-ZVGUJKQYSA-N 388.471 3.934 50 40 GHGB COc1ccc(Br)cc1/C=N\NC(=O)COc1cccc(C)c1C 30843336 NAHPLQIUAUKYSE-JMIUGGIZSA-N 391.265 3.604 50 40 GHGB O=C1C[C@]2(C[C@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)C(=O)O1 103905065 MCPBDEMKBSKYSO-XHNCKOQMSA-N 384.857 3.682 50 40 GHGB O=C(O)c1ccc(Cn2cc(/C=N\NC(=O)c3cccs3)c3ccccc32)o1 408540885 CJRSBVUOYRQWOD-FBHDLOMBSA-N 393.424 3.806 50 40 GHGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2C(F)(F)F)[C@H]2CSCC=C12 1052100 UAPYAUOPIUSTSK-GOEBONIOSA-N 386.402 3.862 50 40 GHGB O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1ccccc1F 1444819 WRTKZHYJAPYPLI-DNTJNYDQSA-N 384.636 3.804 50 40 GHGB CC(C)C(=O)NNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 58145151 BVJIJCLMAQTSCK-OAQYLSRUSA-N 381.501 3.600 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 9190139 QKGWEYLSFOLQJN-CIAFOILYSA-N 379.372 3.936 50 40 GHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409163918 ZOCHUWWRIWHFOI-SSDVNMTOSA-N 398.802 3.827 50 40 GHGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCCC)c(OC)c2)cc1OC 409314639 GLTWKHSFYKDCHZ-HAHDFKILSA-N 398.459 3.821 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 408799441 ZHWANTXNVKXUJA-RVDMUPIBSA-N 384.819 3.828 50 40 GHGB CC1CCN(c2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2cccnc2)CC1 409271665 VXAZWBOTNVDIHO-GZTJUZNOSA-N 391.431 3.772 50 40 GHGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 409236445 GIWBWGZKVYJAOU-VBKFSLOCSA-N 397.862 3.731 50 40 GHGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(O)cc2O)c(Cl)c1 408740509 LEXRYNXSEZVZEC-SSDVNMTOSA-N 383.835 3.923 50 40 GHGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C 409237296 HUDHARDNMUFCIY-UYRXBGFRSA-N 391.471 3.694 50 40 GHGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(C(=O)OC)cc2s1 20133054 MNDDNRGBHYVBOZ-JTQLQIEISA-N 385.283 3.975 50 40 GHGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)c1ccccc1[N+](=O)[O-] 4603027 LXTJZIRYEJSFGK-CIAFOILYSA-N 388.811 3.691 50 40 GHGB N#CC(C(=O)COC(=O)Cc1cccc2ccccc12)=C1Nc2ccccc2N1 6147408 XAVFOGOOJROIGS-UHFFFAOYSA-N 383.407 3.767 50 40 GHGB COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OC 6735617 KBNILCGPKLYIDX-UDWIEESQSA-N 391.265 3.549 50 40 GHGB C/C(=N\NC(=O)c1cccc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1 15933741 YKUWHBINJWXMFL-PCLIKHOPSA-N 387.439 3.727 50 40 GHGB N#Cc1ccccc1OCC(=O)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 37399325 PSCYMTUUGUESFT-RKZIHRPTSA-N 397.434 3.981 50 40 GHGB CCOc1ccc(C#N)cc1NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 58052516 CMOFHWZWDVJKCZ-UHFFFAOYSA-N 380.448 3.721 50 40 GHGB O=C(CCCCC(=O)N/N=C\[C@H]1C[C@@H]2CC[C@H]1C2)N/N=C\[C@H]1C[C@H]2CC[C@H]1C2 104021905 BSLBPCGUEKNUFS-WJWRSIIPSA-N 386.540 3.623 50 40 GHGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 409005072 CKGGIFWCOKXUMO-MTJSOVHGSA-N 379.372 3.529 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Br)c1O 6586231 YNIBWRWRPDYMEU-MYJSTESFSA-N 393.281 3.765 50 40 GHGB CC(C)(C)c1[nH]nc2c1[C@H](c1cc(Br)cs1)C(C#N)=C(N)O2 4870965 RPTAHLQLZWPMOI-JTQLQIEISA-N 379.283 3.749 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)o1 408587625 GMVVHGQNOLKIRX-SRZZPIQSSA-N 380.404 3.976 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c(F)c1 409138624 FPFNRSSGIBCQQT-AQTBWJFISA-N 379.435 3.770 50 40 GHGB CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 196033548 FGHHMWWDHGQPPT-CVEARBPZSA-N 379.529 3.873 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 3178496 KGOFKKMGLGAYRB-CIAFOILYSA-N 395.371 3.636 50 40 GHGB O=C(N/N=C/c1cccc(O)c1)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 9012079 ALGUSADGYJLWCB-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 20238228 OFGXRONMUOLFNQ-QGZVFWFLSA-N 398.488 3.942 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1Br 5381747 DHVYLHWYGGYHRU-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB O=C(N/N=C/c1cccc(O)c1)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1 9110489 XGUPIAAUEQFNNO-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CSc1ccccc1 12865621 QXHUCDISKLJKEI-HNNXBMFYSA-N 380.469 3.547 50 40 GHGB O=C(NCc1cccc([N+](=O)[O-])c1)NNc1nc(Cl)c(Cl)cc1Cl 67725290 ZGCVKVGOEAVOCH-UHFFFAOYSA-N 390.614 3.776 50 40 GHGB N#C/C(=C/c1ccc(O)c(I)c1)c1ccc(C(=O)O)cc1 408545170 ZOUPIUCISZKWJS-QPEQYQDCSA-N 391.164 3.759 50 40 GHGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C 408586896 CXFRATAXHULJIL-LPYMAVHISA-N 392.415 3.775 50 40 GHGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C(C)C)cc1 408602620 CUUHQKAZPLDDGG-QGZVFWFLSA-N 382.489 3.758 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2C)cc1 409101174 AHAAJISMXCCULU-CYVLTUHYSA-N 391.471 3.776 50 40 GHGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N32)c1 12275325 IOAUFNILLCATQA-AVRDEDQJSA-N 392.480 3.647 50 40 GHGB COc1ccc(-c2cc(C(=O)N/N=C\c3c(O)ccc4ccccc34)[nH]n2)cc1 54290513 IYSBOJVXPZPYMU-QRVIBDJDSA-N 386.411 3.708 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1O 3477204 ZEJJECGHLAQCTD-IZZDOVSWSA-N 391.196 3.848 50 40 GHGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCO2 96663260 RJVLJGIDTLCZIV-XGICHPGQSA-N 385.763 3.831 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C/c2c(F)cccc2Cl)c([N+](=O)[O-])c1 408924809 OMFIHMJFEGZLEQ-JXMROGBWSA-N 375.743 3.942 50 40 GHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 6170176 KHUYKGVYTXFEDB-SSDVNMTOSA-N 384.819 3.980 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(C)cc2)o1 6211414 WXOGJZFXXOBNBO-CIAFOILYSA-N 379.372 3.936 50 40 GHGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(O)cc1O 6408455 NVFUMRGEGCVFIK-YPZZKDGISA-N 383.231 3.712 50 40 GHGB CN1C(=C(C#N)C(=O)COc2cccc(C(F)(F)F)c2)N(C)c2ccccc21 31679901 WSXYOHFETNJOCJ-UHFFFAOYSA-N 387.361 3.975 50 40 GHGB NC(=O)c1ccc(OC(F)(F)[C@H](F)Cl)cc1OC(F)(F)[C@H](F)Cl 1601759 FAANUIINGWBHBL-IUCAKERBSA-N 386.075 3.798 50 40 GHGB COc1cccc(/C=N/NC(=O)c2ccco2)c1OCc1ccc([N+](=O)[O-])cc1 409081499 PNTXUAHYMNAVEQ-CIAFOILYSA-N 395.371 3.539 50 40 GHGB Cc1cc(C)nc(NNC(=O)CSc2cc(C)c(Br)cc2C)n1 14514078 LUZXUIXHXSOSGC-UHFFFAOYSA-N 395.326 3.708 50 40 GHGB CC1(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)OCCO1 409048193 REJHQGGPYZOCBC-LPYMAVHISA-N 388.851 3.522 50 40 GHGB CCOC(=O)Cn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21 33361285 DQAHQZKVLDSZBI-FMCGGJTJSA-N 389.411 3.715 50 40 GHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cc2ccccc2cc1O 3162190 RBDUJELWAFWURW-YDZHTSKRSA-N 386.411 3.509 50 40 GHGB NNC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 226334379 ISWRYJWQZDGZGY-QHHAFSJGSA-N 399.647 3.824 50 40 GHGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)c1 694307 HCWLCDJRNHFNCP-SSDVNMTOSA-N 383.791 3.546 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)CSCc2ccccc2Cl)c1 1421532 YYFPFJBOYIDAOA-KEBDBYFISA-N 378.881 3.741 50 40 GHGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Br)c2ccccc12 15930221 ADWUCFHBULGXDH-GDNBJRDFSA-N 396.244 3.737 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OC 58536747 UCNOMMIXVAEOJJ-JYRVWZFOSA-N 393.281 3.822 50 40 GHGB C/C(=N\OCC(=O)N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C)c1sc(C)nc1C 103173175 BEPVUHXZBLVOFS-XWWKAYGKSA-N 376.526 3.819 50 40 GHGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)cc1OC 818651 QNXWPCUTSYKNPF-IBGZPJMESA-N 382.460 3.853 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@@H]1c1ccc(F)cc1 6495742 DTPBHXGXFDGESK-CQSZACIVSA-N 399.422 3.675 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1O 5583608 NSOCSKGWZWZMLU-KEBDBYFISA-N 385.763 3.978 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1 20763791 RKEIOBUTGKGRTK-YBFXNURJSA-N 377.238 3.620 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C 408874919 GHAWBUXCLYJONG-SLOGEKOASA-N 389.293 3.738 50 40 GHGB O=C(COc1ccc(Cl)cc1Cl)NNC1=C(C(=O)C(F)(F)F)CCC1 408955697 OXVFCVCENJHZQC-UHFFFAOYSA-N 397.180 3.562 50 40 GHGB C[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 36470863 MMAQDWVGUZTFAV-VFKKPVCESA-N 397.218 3.558 50 40 GHGB CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 13882107 HSIGJDYJNCDQIJ-LOTHSSKMSA-N 375.350 3.849 50 40 GHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1I 100182326 GAZDXELBWDNRMI-UFXCOCRNSA-N 382.245 3.568 50 40 GHGB CN(C)N1C(N)=C(C#N)[C@@H](c2ccsc2)C2=C1C[C@@H](c1ccccc1)CC2=O 691053 GVIBZHDXBZPZJY-OXQOHEQNSA-N 390.512 3.719 50 40 GHGB CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(F)cc2)c(OCC)c1 4690699 BTXBYCOMSUJEDJ-WJDWOHSUSA-N 383.375 3.914 50 40 GHGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccccc1C(F)(F)F 5289477 SGUYIBQKLDGLHX-WYMPLXKRSA-N 393.365 3.849 50 40 GHGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1ccncc1 6279783 DKTPGZPVFGPVGP-LSHDLFTRSA-N 388.258 3.706 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)c1O 6587570 YNIBWRWRPDYMEU-GKLIYAQQSA-N 393.281 3.765 50 40 GHGB N#C/C(=C\c1ccc(I)cc1)C(=O)NCc1ccccc1 18173366 OCXTZLSDSUIFEF-XNTDXEJSSA-N 388.208 3.515 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 20763982 FZYMVSVKYTVCDG-LPYMAVHISA-N 378.384 3.807 50 40 GHGB COc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1 59434370 HDDPRHRGZOOIBT-UHFFFAOYSA-N 379.888 3.996 50 40 GHGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)cc1 408583502 VDIRLAAPPXSMHZ-RIYZIHGNSA-N 388.217 3.985 50 40 GHGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 408718524 VESHTFFDLMGOCG-DJKKODMXSA-N 395.640 3.792 50 40 GHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 408829941 QNAYTACVSUHMDN-WSDLNYQXSA-N 388.851 3.824 50 40 GHGB COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1O 408905299 WUFSSXXSOSHQMG-NVMNQCDNSA-N 378.226 3.627 50 40 GHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1c(C)[nH]c2ccccc12)c1ccccc1 408976630 BJDHRNCYVGZSDD-RXULLKCLSA-N 392.459 3.804 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC)c(OC)c3OC)cc2c1 409187818 UPXVDOKRLBPHRW-UUYOSTAYSA-N 398.415 3.621 50 40 GHGB C=CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409242788 TZVGYLQJCOURNF-MTJSOVHGSA-N 391.240 3.846 50 40 GHGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(OCC)c2)cc1OCC 409322618 MHZYKMINSYNPPR-HMAPJEAMSA-N 384.432 3.518 50 40 GHGB O=C(COc1ccccc1Cl)N/N=C\c1ccc(N2CCCC2)c(F)c1 409070521 BZMFNNGKZJEQHA-UUYOSTAYSA-N 375.831 3.608 50 40 GHGB O=C(O)c1ccc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 1084204 IHCQAODXDUQQDS-ZMOGYAJESA-N 385.423 3.669 50 40 GHGB BrC[C@H]1CNC(=[N+](Cc2ccccc2)Cc2ccccc2)S1 4088105 PRDPHZWMUKUXII-KRWDZBQOSA-O 376.343 3.855 50 40 GHGB Cc1ccc(S(=O)(=O)N(/N=C\c2ccccc2)C(=O)c2ccccc2)cc1 5081705 MLVFVZIMVARAEM-JWGURIENSA-N 378.453 3.860 50 40 GHGB N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 211469001 NNDQBEAPTXTWMP-WQLSENKSSA-N 378.226 3.713 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OC 3572237 PKPVQLKUJLTEBR-DJKKODMXSA-N 397.656 3.884 50 40 GHGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 4359463 UKFQBNWUXYELPW-BKUYFWCQSA-N 398.419 3.883 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 6964074 ALWWMNZYHFRNHW-RGVLZGJSSA-N 378.881 3.990 50 40 GHGB COc1ccccc1[C@H]1C(C#N)=C(SCc2ccccc2)NC(=O)[C@H]1C#N 9014535 NWHPOYYUBVAVIP-QFBILLFUSA-N 375.453 3.717 50 40 GHGB CCOc1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(O)c(OC)c3)sc2c1 41120803 QAKJDDGBGNUCFH-MDWZMJQESA-N 395.440 3.955 50 40 GHGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C(c1ccccc1)c1ccccc1 100510131 CMFLCVFVMLRRQT-YZSQISJMSA-N 386.455 3.734 50 40 GHGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)CC2=O)cc1 409260830 XGLZSLIHSUJMAP-FIEDDBFWSA-N 390.270 3.805 50 40 GHGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(Cl)c2)cc1OC 409336358 RSQALZFWPKUQMC-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)c1 107694875 RVPMZJKWEQFVKY-LPYMAVHISA-N 380.835 3.853 50 40 GHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 107741507 UKSFNYJIXQUZIJ-CIAFOILYSA-N 392.371 3.577 50 40 GHGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)NC1CCCC1 58536762 FSEFIOUEHBLHQL-MOSHPQCFSA-N 397.482 3.959 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccc(I)o2)c(Cl)c1 9190592 KEFVACSFDTYQEG-FRKPEAEDSA-N 388.592 3.610 50 40 GHGB CCC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)N/N=C/c3ccc(OC)c(OC)c3)c2C1 5053445 SFIFNFWLTDSYOE-LJGKHRNASA-N 398.507 3.732 50 40 GHGB COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Br)o1 7061713 ISSHXYUXDZVDOI-OQZOHAQUSA-N 389.249 3.767 50 40 GHGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OC)c(Br)c2)cc1 408712057 XQJOXCOCKOINMJ-NDENLUEZSA-N 391.265 3.549 50 40 GHGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 408747011 XWEUMUKJYSJJCI-DEQJRXDXSA-N 378.819 3.767 50 40 GHGB COc1ccc2cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)nc2c1 33759847 KAIGOEUFIYOZBD-KEBDBYFISA-N 384.779 3.569 50 40 GHGB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253396312 DPTKTERXMIHIGK-FQEVSTJZSA-N 388.471 3.940 50 40 GHGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2[C@H](C)CC1(C)C 260569537 QSLDCHMCEXYWGP-UEXNTNOUSA-N 381.520 3.953 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@H]2c2ccccc2)cc1 1470141 AZKBPNMWXBROEO-PFVGNDRKSA-N 388.423 3.727 50 40 GHGB CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 109030602 ZVFLBECBVUJIDK-JMIUGGIZSA-N 396.230 3.993 50 40 GHGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 4545149 VDPSTKBOOFJXTQ-DHRITJCHSA-N 399.406 3.630 50 40 GHGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CCC)c32)cc1OC 5125974 XZULVOKGHSKLEA-SFHVURJKSA-N 382.464 3.768 50 40 GHGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)Cc1ccc(Cl)cc1 6448702 GZPKHWNRSPXPMJ-UHFFFAOYSA-N 394.858 3.776 50 40 GHGB Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccc(Br)cc3)o1)C(C#N)=C(N)O2 8973550 HZWFEGAPBOLSSI-MRXNPFEDSA-N 397.232 3.959 50 40 GHGB Cc1ccc(-c2ccsc2C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 12810720 NOCJZQSBGZMCPF-UHFFFAOYSA-N 380.425 3.527 50 40 GHGB C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)Cc2ccccc2)cc1 15933865 YDGANWJURHRYJB-PCLIKHOPSA-N 387.439 3.727 50 40 GHGB COc1ccc(NC(=S)NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 1043392 PCHIXWZNLQRQKM-UHFFFAOYSA-N 394.500 3.734 50 40 GHGB O=C(c1ccccc1)[C@H](O)[C@](Br)(CBr)c1ccccc1 1594520 FYZRJJCEZLENPQ-HOTGVXAUSA-N 398.094 3.916 50 40 GHGB CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCCl 4817625 PAUYVSZDEUWTOO-UHFFFAOYSA-N 380.828 3.897 50 40 GHGB C/C(=N/NC(=O)CCc1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 5826753 KTZJEQGFWPTZSD-CFRMEGHHSA-N 377.366 3.660 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)cc1OC 408748738 GYXOBMMFJMRTOB-VXLYETTFSA-N 377.238 3.539 50 40 GHGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409361747 RFJOCFFNYNPAFM-SSDVNMTOSA-N 382.351 3.556 50 40 GHGB CSc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 409165387 XMCOHXWKVXNUJL-QQZPLFJDSA-N 381.501 3.529 50 40 GHGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C)cc2)N2C(=N1)SC(C#N)=C2N 408604451 JIZVJISKEIXUGE-QGZVFWFLSA-N 382.489 3.723 50 40 GHGB CN(C)C[C@H](/C(Cc1ccccc1)=N\NC(=O)c1ccncc1)c1ccccc1 17215048 NBDFSGIKEMKEQE-NFLAHJKKSA-N 386.499 3.756 50 40 GHGB C[C@H]1Cc2cc(-c3csc(NC(=O)CCl)n3)ccc2N1C(=O)C1CC1 1366204 UOMNSPYJPRMUGL-JTQLQIEISA-N 375.881 3.675 50 40 GHGB C[C@H](CCl)N(CCCl)Cc1cccc(Nc2ncnc3[nH]cnc23)c1 6248333 MSTQNBKFVOOMDH-GFCCVEGCSA-N 379.295 3.765 50 40 GHGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1 38650320 JSHSCEWERONUSI-FQEVSTJZSA-N 388.379 3.726 50 40 GHGB Cc1c(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c2ccccc2n1C 408857434 MMILURGXNVUSDC-RBUKVZGJSA-N 380.455 3.694 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccccc1C#N 409206953 RPJGTUJFNHGLLF-YBFXNURJSA-N 387.439 3.722 50 40 GHGB N#C/C(=C\c1ccc(OCCOc2ccccc2Cl)cc1)C(=O)NC1CC1 409204520 HVRYHZKXHFNAHH-DTQAZKPQSA-N 382.847 3.983 50 40 GHGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)cc1 2696658 NKARMGCJDUZMCL-JXAWBTAJSA-N 386.455 3.981 50 40 GHGB C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 4156454 DJVOCMGQCQHGQK-WQBZTOPYSA-N 389.377 3.831 50 40 GHGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408796732 YZXRPHYAHQBDJZ-MDWZMJQESA-N 382.763 3.696 50 40 GHGB COc1cccc(/C=N/NC(C)=O)c1OCCCOc1ccc(Cl)c(C)c1 4550365 HORGKOYGGKUCPZ-LPYMAVHISA-N 390.867 3.975 50 40 GHGB N#C/C(=C\c1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccccc1 6829612 OJFRBKSYWAQURV-AWNIVKPZSA-N 392.230 3.516 50 40 GHGB CSc1ccc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20468921 OYLVDKJTQOSNDG-VQTJNVASSA-N 389.528 3.542 50 40 GHGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409233226 DSYIWLGORYAHMN-MTOJCTJASA-N 394.427 3.655 50 40 GHGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1 409330787 BIKQDDPTHIPARD-KQWNVCNZSA-N 380.444 3.979 50 40 GHGB COc1cc(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1O 408814998 SSRRAZYAHKFHCT-MXUOTFPVSA-N 393.281 3.765 50 40 GHGB O=C(O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)cc1 83327303 LDZMSJCEMBYOFB-CFRMEGHHSA-N 385.423 3.669 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1 943559 ZVYIJEZJTUTKEM-AYPRBGQRSA-N 391.265 3.684 50 40 GHGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(Br)cc1 1105473 IVKWJBBMCDQEMS-GIJQJNRQSA-N 389.278 3.568 50 40 GHGB C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NNC(=S)Nc1ccccc1 864627 OAPKYABBTAVTBT-SNVBAGLBSA-N 383.304 3.812 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)c(OC)c1 1247658 FYOMBYQKEYCKJU-YDZHTSKRSA-N 375.428 3.893 50 40 GHGB N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)C(=O)Nc1nccs1 33376365 PULIGWXYPOERNR-UITAMQMPSA-N 387.314 3.892 50 40 GHGB N#C/C(=C/c1cc([N+](=O)[O-])c(O)cc1O)C(=O)Nc1cccc(Cl)c1Cl 59335973 MFQUPNZQVOIZCS-WTKPLQERSA-N 394.170 3.858 50 40 GHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C(=O)NN)c2ccccc21 216896535 XBXJIBIHIPVCBJ-SNVBAGLBSA-N 392.242 3.659 50 40 GHGB O=C1C=C(NNC(=O)c2ccc(Br)cc2)C[C@H](c2ccccc2)C1 408751402 MSCMKPMZADEVRY-HNNXBMFYSA-N 385.261 3.714 50 40 GHGB N#C/C(=C/c1ccc(Br)o1)C(=O)NCCc1c[nH]c2ccccc12 4513076 ASDDFCXVSCOVKX-LCYFTJDESA-N 384.233 3.789 50 40 GHGB CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)cc1 4677645 RMVVULVQEIVENJ-HYARGMPZSA-N 378.432 3.725 50 40 GHGB C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccccc3F)c2C(N)=O)C1 4909362 KDTHHYDFHGISCF-GJSJWPQCSA-N 383.448 3.657 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2cccc(C)c2C)n1 6968453 MWUORHMMHAGGTA-WSDLNYQXSA-N 393.516 3.743 50 40 GHGB Cc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1ccc(Cl)cc1 20662208 USSULCXGXIAPIF-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB CCN(CC)c1ncc(/C=N/NC(=O)COc2ccc3ccccc3c2)s1 22010986 JJXOOPVGFOLNQV-LPYMAVHISA-N 382.489 3.672 50 40 GHGB O=C(NNc1ccncc1)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 28467230 RDJHMTXMOBRFJU-MBWAJUJLSA-N 392.459 3.971 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1cccc([N+](=O)[O-])c1 408784758 SLRACTFANSKGIG-MFOYZWKCSA-N 395.415 3.614 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 408873819 WAURCLCEVHZNQP-FYJGNVAPSA-N 385.420 3.855 50 40 GHGB C[C@H](c1cccc(Nc2ncnc3nc[nH]c23)c1)N(CCCl)CCCl 1702662 UOFGAJCBDYVQDT-GFCCVEGCSA-N 379.295 3.937 50 40 GHGB CCOC(=O)[C@H](CC(C)C)N[P@](=O)(CCl)N(CCCl)CCCl 4743768 WGENXYODNIGDPI-AMXDTQDGSA-N 395.695 3.723 50 40 GHGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1453195 PQLOINZKDRDOLA-FMIVXFBMSA-N 385.876 3.925 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1cccn1-c1ccc(Br)cc1 4083165 XLXJHNFDNYTRBR-KGENOOAVSA-N 382.261 3.933 50 40 GHGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(C(F)(F)F)c1 4544613 VTTULUFWGCYNGU-IFRROFPPSA-N 387.701 3.737 50 40 GHGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 408800032 MYOPDHORCXIKDU-HCIRMPLMSA-N 386.448 3.832 50 40 GHGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 409225222 JZVPMGNLFFBPPW-AQTBWJFISA-N 382.847 3.642 50 40 GHGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OC 83314652 MWNKZQWTQHEBBZ-GRSHGNNSSA-N 377.238 3.539 50 40 GHGB O=C(CCC(=O)OC(CCl)CCl)Nc1ccc(Br)cc1 5944889 UFXOANWOSRIQMW-UHFFFAOYSA-N 383.069 3.557 50 40 GHGB Cc1ccc(C)n1-c1ccsc1C(=O)NNC(=O)C(Cl)=C(Cl)Cl 1590882 YQTUWOLHOWEWLC-UHFFFAOYSA-N 392.695 3.802 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc(F)cc1 2267565 BMXNVHULNJQKPD-WYMPLXKRSA-N 379.391 3.572 50 40 GHGB O=C(COc1ccc(F)cc1)NNC(=S)Nc1cccc(Cl)c1Cl 2532726 NOXMVORJXIXJFX-UHFFFAOYSA-N 388.251 3.529 50 40 GHGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(CCC)c32)cc1OCC 8817552 IWVMNNCZDPHVNR-SFHVURJKSA-N 382.464 3.768 50 40 GHGB O=C(c1cccc(CCl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 33376789 VGVTUIAKFNIANE-UHFFFAOYSA-N 383.801 3.802 50 40 GHGB CO[C@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 59471510 OBYOJMKKNAGYDH-IOVUBPJKSA-N 379.372 3.693 50 40 GHGB CN(C)c1ccc(P(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 95486407 GNETVOUSGGAEDK-UHFFFAOYSA-N 391.499 3.643 50 40 GHGB in-vitro C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(=O)O)c1)c1ccccc1 409251412 QDLGDWJYXDCPIV-BAACNHRGSA-N 385.423 3.960 50 40 GHGB O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cccnc1 12796490 YUGZSXBTYCSUII-UHFFFAOYSA-N 386.386 3.511 50 40 GHGB CN(C)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 4865014 HLIHXEQDXVZDHQ-SDNWHVSQSA-N 376.485 3.994 50 40 GHGB CN(C)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 408846191 PGHYOIYJOLVPJY-NVMNQCDNSA-N 376.210 3.618 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@]2(C)NC3(CCCCC3)Cc3ccccc32)cc1 408734504 VZHPXCITJSPELF-QADUPLGGSA-N 391.515 3.909 50 40 GHGB O=C(CCCC[C@@H]1CCSS1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524731953 QJOJATIXXCMAHK-TWMKSMIVSA-N 382.595 3.560 50 40 GHGB biogenic CO[Si](CCCCCCCCCC[Si](OC)(OC)OC)(OC)OC 195761133 JFFBPULXPLWPAA-UHFFFAOYSA-N 382.646 3.863 50 40 GHGB O=[S@](O)CCCSSCCCCSSCCC[S@](=O)O 17190128 FYENQAQBIBIZGR-UHFFFAOYSA-N 398.684 3.753 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SCCS1 6348163 PRBBLDNRLUVVOY-WOJGMQOQSA-N 391.474 3.891 50 40 GHGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 720251 LWCKMFWROVGYFH-GOSISDBHSA-N 378.382 3.665 50 40 GHGB Cc1nc(C)c(C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)s1 1680275 UHCGZNMYOIQFEF-RGVLZGJSSA-N 399.347 3.808 50 40 GHGB C/C(=N\NC(=O)c1cncc(Br)c1)c1cccc(Br)c1 4548540 VLUPGBBDLVBLAN-GIJQJNRQSA-N 397.070 3.761 50 40 GHGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccccc1OC(F)F 6813968 JOKMYESNIMHRCE-OAHLLOKOSA-N 380.354 3.896 50 40 GHGB CC(C)Oc1ccccc1/C=N/NC(=O)Cc1ccc(Br)cc1 9204105 MURYXMONCUKAJB-UDWIEESQSA-N 375.266 3.929 50 40 GHGB CCc1sc(C(=O)NNC(=O)CSc2cccc3cccnc23)cc1C 12898444 QFDSRLPARAXBCE-UHFFFAOYSA-N 385.514 3.720 50 40 GHGB CCOC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1ccccc1F 35670996 KHUNPORRDFCWTK-UHFFFAOYSA-N 383.379 3.723 50 40 GHGB Cc1cc(C(=O)NNc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2 44697828 UIODXAUFCINHLD-UHFFFAOYSA-N 381.407 3.761 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408590520 PHFHPHLISYCIQG-ZVHZXABRSA-N 379.435 3.935 50 40 GHGB N#C/C(=C\c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)C(=O)NCc1ccco1 408839991 DZNZTAPNJTZJJM-MDWZMJQESA-N 381.319 3.810 50 40 GHGB COC(=O)[C@H]1C(=O)NC(SCc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1 409136308 TWDRFMDAVMUHQV-RBUKOAKNSA-N 392.480 3.666 50 40 GHGB Cc1ccc(O)c(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 1431154 HAZPBSZLSYHBFZ-BUVRLJJBSA-N 397.438 3.712 50 40 GHGB Cc1cccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 20662210 BJNLLSJKWKJIMZ-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC 9355334 GKRNOXXEVFOOBH-YBFXNURJSA-N 377.238 3.620 50 40 GHGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(N)=O)n2)c1 2284760 WHLXGMVEKYMKNS-SDNWHVSQSA-N 376.441 3.894 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 1496584 ICELLBBPVKDOSF-AWQFTUOYSA-N 383.231 3.540 50 40 GHGB COc1c(Cl)cc(Cl)cc1C(=O)n1c(C)c(C(=O)NN)c2ccccc21 226367360 BYCIZIBELAABAK-UHFFFAOYSA-N 392.242 3.557 50 40 GHGB IC[C@@H]1CN=C(Nc2nc3ccccc3s2)S1 1084890 USFZXIXSRXQPSO-SSDOTTSWSA-N 375.260 3.615 50 40 GHGB O=C(c1ccccc1)[C@H](O)[C@@](Br)(CBr)c1ccccc1 1594518 FYZRJJCEZLENPQ-JKSUJKDBSA-N 398.094 3.916 50 40 GHGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)N3CCOCC3)c3ccccc32)c1 408998935 QWUZKBFYRKHGIM-ZHZULCJRSA-N 385.467 3.764 50 40 GHGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1 4784665 LZLYLQYRTZMMLG-CAOOACKPSA-N 398.054 3.681 50 40 GHGB Cc1cccc(-n2cccc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1C 33591291 IUGRIRZVYVCJAF-HMAPJEAMSA-N 376.416 3.695 50 40 GHGB CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc2c(c1)OCCO2 16693129 QTFYOPHNNBMJEX-UCQKPKSFSA-N 376.412 3.774 50 40 GHGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 6325341 DKIZNWOZVJIVKI-ZRZWOPFXSA-N 397.519 3.895 50 40 GHGB CCCCC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OC)cc2OC)c1 3099304 BZMWOWYRQBAVBX-HYARGMPZSA-N 383.448 3.596 50 40 GHGB Cc1ccc(N[C@@H](C)C(=O)N/N=C/c2cc(Br)ccc2O)c(C)c1 654941 KDIYJMJTXSHQRI-NPNVKNKFSA-N 390.281 3.722 50 40 GHGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(F)cc2)c1C 8812248 OTMQDPMPFGZIQD-ZMOGYAJESA-N 393.418 3.784 50 40 GHGB O=C(NNC(=O)C1(c2ccc(Br)cc2)CC1)c1cccc(Cl)c1 25238778 QQGULDYVHHPGFU-UHFFFAOYSA-N 393.668 3.595 50 40 GHGB COc1cc(OC)c(/C=C(\C#N)C(=O)NC2CCCCC2)cc1Br 5720112 CRBVECFMYNZDFX-MDWZMJQESA-N 393.281 3.822 50 40 GHGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 409359317 BKNSYNRTYUARJW-BUVRLJJBSA-N 389.455 3.600 50 40 GHGB CN(C)c1ccc(/C=C/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408964951 IVDZAQPOPCDPOR-QJRDPUHFSA-N 378.388 3.836 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1O 409041963 LNTOBIABVCJUIS-UFFVCSGVSA-N 384.775 3.768 50 40 GHGB Cc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 408719293 BINUSSLHBLUSOE-DJKKODMXSA-N 377.853 3.940 50 40 GHGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C\c1ccc(Br)o1 11990258 RSYAWOFWHQVIKL-DMHPSONMSA-N 385.645 3.922 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Br)c1OC 6959068 MKYUGFQLGAXUMR-RGVLZGJSSA-N 391.265 3.929 50 40 GHGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 58883485 RVNPGPJIUBKHSY-WSDLNYQXSA-N 387.867 3.735 50 40 GHGB COc1ccccc1[C@@H]1CC(=O)N2C(=C1C#N)SC[C@@]2(O)c1ccc(C)cc1 12275552 RMFKKZWNVMFQOR-HTAPYJJXSA-N 392.480 3.647 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(Br)c1 5816366 YTFQSOQVSZSSOV-VCHYOVAHSA-N 396.082 3.904 50 40 GHGB COc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1cccs1 5173120 ZFRJWHHDYPXWRY-FYJGNVAPSA-N 379.441 3.773 50 40 GHGB C/C(=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc([N+](=O)[O-])cc1 6189188 LKEIYTNOYYZACL-JWGURIENSA-N 391.431 3.610 50 40 GHGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 6429009 FTPUUWYDAFXSBY-SDNWHVSQSA-N 389.249 3.769 50 40 GHGB N#CC(C(=O)COC(=O)CSc1ccc(Cl)cc1)=C1Nc2ccccc2N1 3284805 OHKMPFOINGVEAS-UHFFFAOYSA-N 399.859 3.817 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 5766821 JYNABSNDGXEITI-CAOOACKPSA-N 382.601 3.775 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(Br)c1 8018455 CKCHFZGKIPSDKB-OAHLLOKOSA-N 394.228 3.509 50 40 GHGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cccc(F)c2)cc1 59156285 FAJSURPZMDGPCU-ZMOGYAJESA-N 392.386 3.867 50 40 GHGB CCOC(=O)/C(C#N)=C(/SC)[C@H]1CCCCCC/C1=C(/C#N)C(=O)OC 100993076 WBVOVNSHVSPDSC-AXAGPXGZSA-N 376.478 3.654 50 40 GHGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccccc2)cc1 408770917 BAFOIHRVFGLKDF-UHFFFAOYSA-N 399.516 3.627 50 40 GHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Cl)c2)cc1 408820187 UJDRAXHRHZFFJE-MLPAPPSSSA-N 377.227 3.931 50 40 GHGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cccn2-c2ccc(O)cc2)c1 409018939 ZKMQNNKGADIXTE-UCQKPKSFSA-N 377.444 3.583 50 40 GHGB CCOc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2cccc(C)c2)cc1OC 818282 YXTAEVFPCWHSAU-IBGZPJMESA-N 395.484 3.702 50 40 GHGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 58882874 IURQWZULBHLERV-IWIPYMOSSA-N 393.487 3.587 50 40 GHGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1cccc2ccccc12 12137407 YOXYPSOHKZWUBT-HXUWFJFHSA-N 392.455 3.532 50 40 GHGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3)o2)c1 408724823 DGKXNIXVXMNLGP-OEAKJJBVSA-N 392.411 3.896 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)ccc1OC(C)=O 408763974 VEYDOQIITVAJSC-BOPFTXTBSA-N 392.411 3.759 50 40 GHGB O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccn2)nc2ccccc12 16740437 KCUKWSJHDIDUBC-UHFFFAOYSA-N 385.383 3.962 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 3254324 SVKLQQRVIYLHCC-AWNIVKPZSA-N 377.227 3.973 50 40 GHGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1C(F)(F)F 4502574 YNJAVCOJZAMVLS-ZVBGSRNCSA-N 397.378 3.997 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC 4815515 UYSSMFBVXCFJTC-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CO[C@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 5417381 TXSIQAOOXWYORM-WQZUMXOESA-N 387.867 3.857 50 40 GHGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1cc2c(s1)CCCC2 6602762 CWHBFOFLDNBZSI-UHFFFAOYSA-N 385.514 3.630 50 40 GHGB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNc1c(F)c(F)cc(F)c1F 7015631 DKESKHFVJPQQFU-MGPLVRAMSA-N 397.372 3.531 50 40 GHGB COc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 7386895 XGTPJTJMFIBGEG-JJIBRWJFSA-N 392.503 3.660 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1O 9200805 LGNHGMIOYSQWCH-VXLYETTFSA-N 377.238 3.626 50 40 GHGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1ccc(O)cc1 14921466 VYOFUIDLRGJACO-UFFVCSGVSA-N 380.231 3.834 50 40 GHGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)Cc1cccc2ccccc12 408739759 FLCSBIUHPGOXLU-SGSZHJQISA-N 384.439 3.523 50 40 GHGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1 3164855 CBEZCYGVFBYVJS-AFUMVMLFSA-N 385.402 3.837 50 40 GHGB Cc1sc2nc(CC(=O)NN=C3CCC(C(C)(C)C)CC3)[nH]c(=O)c2c1C 8045632 JATCCINGTGQARB-UHFFFAOYSA-N 388.537 3.852 50 40 GHGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)c(C#N)c1C 408535125 XQMWTBQVATXXEO-WYMPLXKRSA-N 390.443 3.705 50 40 GHGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)COc1ccccc1Cl 34716401 WUSSVCRCNBNDMK-FMCGGJTJSA-N 389.858 3.917 50 40 GHGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 4402044 POLQUNUEOHZPCV-JJIBRWJFSA-N 381.476 3.684 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1C1CC1 22530895 SMJDTHBDPABDHG-PXLXIMEGSA-N 388.515 3.691 50 40 GHGB O=C(N/N=C\c1cc(Br)c(Br)o1)Nc1ccccc1 408950448 FDDNEISGKSTFAP-CHHVJCJISA-N 387.031 3.960 50 40 GHGB COc1ccc2cc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)nc2c1 408860326 YWKVVAQUZABHCD-UFFVCSGVSA-N 398.806 3.877 50 40 GHGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1O 16194925 KRPZLSFNZKNVOQ-IZZDOVSWSA-N 391.196 3.848 50 40 GHGB CCc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 876482 TUDTUWOYYLOQKQ-LJQANCHMSA-N 389.455 3.541 50 40 GHGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC 4159149 LKIUAEGRQGXRRR-HJDVLLJCSA-N 386.492 3.856 50 40 GHGB Cc1ccc(OCC(=O)N/N=C\c2ccccc2OC(=O)c2ccco2)cc1C 4460194 UNRLGNMOROOXGJ-QRVIBDJDSA-N 392.411 3.645 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)c(O)c1 5261336 NXXQKPMWGORNMD-MFKUBSTISA-N 390.487 3.954 50 40 GHGB C[C@H]1CCCCC1=NNC(=O)[C@H](C)Nc1ccc(I)cc1 5739348 RMICOYUSLWBAOI-RYUDHWBXSA-N 399.276 3.774 50 40 GHGB COc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(OC)c1 5826996 QHUQWZWKTVRGLU-UKTHLTGXSA-N 393.468 3.945 50 40 GHGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)cc1 8969928 QIQYWHLFSGDYDE-SFHVURJKSA-N 391.496 3.960 50 40 GHGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N32)c1 12275323 IOAUFNILLCATQA-XMSQKQJNSA-N 392.480 3.647 50 40 GHGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 13140647 WALRMNTWOSVJGB-JJIBRWJFSA-N 388.471 3.850 50 40 GHGB Cc1ccccc1C(=O)NNC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 40144682 ZBLVHAWKIIEGPH-INIZCTEOSA-N 375.428 3.605 50 40 GHGB Cc1ccc(CC(=O)N/N=C\c2ccc(N(C)C)c(Br)c2)c(C)c1 216046083 NBNDUKYXSMJQDM-MTJSOVHGSA-N 388.309 3.825 50 40 GHGB OCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 642882971 ZUJUHCBDVUWOQB-YFKPBYRVSA-N 382.057 3.786 50 40 GHGB Cc1cs/c(=N\NC(=O)c2ccccc2)n1C(=O)Nc1ccc(Cl)cc1 4475440 XHJBXHQWUVZTAD-PYCFMQQDSA-N 386.864 3.837 50 40 GHGB CC[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(C)cc2)C1=O 5562144 GDNVVXMMPVEUTA-HXTJDARSSA-N 391.496 3.905 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1O 7385594 FZDVQCSPMSPJQP-LPYMAVHISA-N 387.867 3.808 50 40 GHGB O=C(CSc1ccccc1F)NNC(=O)C(c1ccccc1)c1ccccc1 8293655 RDCOABQHSPKOFJ-UHFFFAOYSA-N 394.471 3.897 50 40 GHGB CCCN1C(=O)/C(=N/NC(=O)CNc2ccc3ccccc3c2)c2ccccc21 13563299 JZBCBRHGSZMCHW-XTCLZLMSSA-N 386.455 3.529 50 40 GHGB CCCCOc1ccc(C(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc1 31719638 KPVXQYPMMQYHIE-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc(I)c1 408784608 VBWHVDODBYWSBL-VCHYOVAHSA-N 382.176 3.584 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCC#N 408785955 CLJKONWZKOXNPO-DHDCSXOGSA-N 388.265 3.512 50 40 GHGB CCC[C@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccc(Cl)cc1Cl 408947620 BDYNFMYVOITBFX-GHOUAXAESA-N 389.279 3.844 50 40 GHGB COc1ccc(CC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 409150267 BDNHNJKWFUYUJF-XKZIYDEJSA-N 393.399 3.865 50 40 GHGB C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cccnc1 1425092 IMIBGKGNKLFWFO-SYXCRGJESA-N 375.428 3.578 50 40 GHGB C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Cl 2502504 KRBPOVPBEKRSEU-LJQANCHMSA-N 382.803 3.852 50 40 GHGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4C)c32)ccc1O 5490473 YVCDVFBNFIXLOC-SFHVURJKSA-N 388.427 3.626 50 40 GHGB CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)c1 408869807 UCYRUFBHGXXJFX-XKZIYDEJSA-N 378.384 3.593 50 40 GHGB C[C@]1(C(=O)[C@@H](Br)[C@H](Br)c2ccc(Cl)cc2)CO1 5531003 UGKLSWVMIVMWFN-JFGNBEQYSA-N 382.479 3.898 50 40 GHGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc2cccnc12 12991872 PREXYTMFBIMZOJ-OAHLLOKOSA-N 385.423 3.617 50 40 GHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)c1 408588857 KDJZXMLYQVBSIW-FSJBWODESA-N 375.428 3.895 50 40 GHGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408806168 ARVCASRRFKDLEO-LFIBNONCSA-N 394.814 3.684 50 40 GHGB Cc1c(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)cccc1[N+](=O)[O-] 409160150 PSDRWBJEKZQPFF-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)o2)c1C 409243529 SDBSAXQUYFRVKK-CFRMEGHHSA-N 394.402 3.874 50 40 GHGB CCOC(=O)[C@@H](CC(C)C)N[P@@](=O)(CCl)N(CCCl)CCCl 4743763 WGENXYODNIGDPI-IPQOISQHSA-N 395.695 3.723 50 40 GHGB C[C@@H]1CCCCC1=NNC(=O)[C@@H](C)Nc1ccc(I)cc1 5739166 RMICOYUSLWBAOI-VXGBXAGGSA-N 399.276 3.774 50 40 GHGB O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 6427119 XGWNTCXAKZYWTQ-UHFFFAOYSA-N 380.831 3.994 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC 8811146 KDQGUBBMMSQJFL-HYARGMPZSA-N 386.448 3.655 50 40 GHGB N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 12360211 JOGKURHEZSEJDT-LCYFTJDESA-N 379.803 3.925 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(O)c1 20248246 RPDKWMLQEQVBAU-SRZZPIQSSA-N 390.892 3.994 50 40 GHGB CCCN(CCC)c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 23410907 OADIKGMADPEAGX-CPOKCXMASA-N 381.476 3.603 50 40 GHGB CCOC(=O)NC1=C[C@@H]2[C@H](C=C1)Sc1ccccc1N2C(=O)CCCl 24550355 JMDCXLWRYKPMHW-ZBFHGGJFSA-N 378.881 3.691 50 40 GHGB CC(=O)[C@@H](C(=O)Nc1c(C)cccc1C)[C@@H]1C(=O)c2ccccc2C(=O)[C@H]1Cl 104162335 QAYXHDRQVUEBDA-SQNIBIBYSA-N 397.858 3.750 50 40 GHGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)c1 408972624 PYOBTJRTZFLJGP-BUVRLJJBSA-N 394.519 3.564 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)o1 408994210 HHKWIBNEHZGFLH-KEBDBYFISA-N 384.263 3.962 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)c1 409132617 KZTINIUVFCECCY-ATVHPVEESA-N 395.434 3.607 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1O 409190023 UTGWPHQNYLRYFQ-GHXNOFRVSA-N 379.254 3.519 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)CNc2cccc3ccccc23)c(OC)c1 409392476 PQRLCJLERRARNS-BUVRLJJBSA-N 377.444 3.809 50 40 GHGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccco1 59157042 CJUZSVMNJPIJQO-YBFXNURJSA-N 396.315 3.652 50 40 GHGB COc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1 409207814 ALSGAIOBFWDNMR-UUYOSTAYSA-N 392.371 3.555 50 40 GHGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 408782492 HOYMRJFVNBNXLI-UNOMPAQXSA-N 378.428 3.739 50 40 GHGB O=C(N/N=C\c1ccc2c(c1)OCO2)[C@H]1CC1(c1ccccc1)c1ccccc1 33340803 AUJDAFPYGRENTR-UQEONJGVSA-N 384.435 3.872 50 40 GHGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1Br 948076 MVTMDYCBZNFDHP-NTEUORMPSA-N 378.247 3.796 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)CNc2ccc3ccccc3c2)c(OC)c1 12362185 KIYOUTSYRMVTMH-IWIPYMOSSA-N 377.444 3.809 50 40 GHGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)NC[C@H]1CCCO1 1462497 NTWAHMJQHAKQOP-CNSVBDKNSA-N 385.467 3.892 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)c(C)c1 3657470 VTRVPBBEYDJVBJ-KEBDBYFISA-N 391.265 3.604 50 40 GHGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1OC 715797 PYLGASZMXINDLW-AWQFTUOYSA-N 383.231 3.540 50 40 GHGB N#CCC(=O)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4513386 PPWJEENBGXKZJT-LSHDLFTRSA-N 392.293 3.770 50 40 GHGB CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OC)cc1OC 4751328 QDDIULHQNCBIRL-HXUWFJFHSA-N 394.427 3.849 50 40 GHGB Nc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 6269811 OWHDOZMZABCXQI-YDZHTSKRSA-N 387.468 3.947 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3O)o2)cc1 6675240 OXBIPKQHNMNIEE-LPYMAVHISA-N 378.384 3.593 50 40 GHGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)c(Cl)c1 9235458 AHHDNLSWLNIEKA-LSHDLFTRSA-N 393.274 3.632 50 40 GHGB O=C1[C@@H](Br)[C@@H]2CC(CBr)C[C@H](C2)[C@H]1Br 100211965 NIGHUSUWVGGZII-RFLWSCKQSA-N 388.925 3.524 50 40 GHGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)cc1 408768356 FJUDCOJQXKBFAN-JXAWBTAJSA-N 377.444 3.865 50 40 GHGB COc1cc(C(=O)N/N=C\c2cccc(O)c2)ccc1OCc1ccccc1 409314903 HQTDLDMONKSMEE-UCQKPKSFSA-N 376.412 3.744 50 40 GHGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1cccc([N+](=O)[O-])c1 4187455 DBDMPSPOTXQWNP-PXLXIMEGSA-N 382.420 3.655 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408789130 ODJPLYSBZMNBNJ-GHRIWEEISA-N 394.427 3.573 50 40 GHGB C#CCn1cc(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 409356911 HGNUNLWZYUBPIB-CIAFOILYSA-N 380.245 3.801 50 40 GHGB Cc1cc(C)cc(NC(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)c1 17077912 IGFHFIJELVMFFC-UHFFFAOYSA-N 381.354 3.554 50 40 GHGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@@H]2[C@H]1c1ccccc1Cl 254556428 PJQHQIKZSCLDQQ-XQAUZQBESA-N 381.863 3.973 50 40 GHGB C[C@@H](NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2)c1ccccc1 7157258 OUQOCDNSFCYOAG-IWTIEGKHSA-N 399.244 3.962 50 40 GHGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 12201078 XSWWARLHEILSBK-UHFFFAOYSA-N 388.048 3.831 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)c2ccccc2C)cc1Br 668210 YJPHUTVYPXCIQK-VXLYETTFSA-N 377.238 3.539 50 40 GHGB CCOP(=O)(OCC)c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1 2292988 SFEGLZXEMZOJRX-UHFFFAOYSA-N 379.305 3.705 50 40 GHGB Cc1ccc(CCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)o1 102920743 WCNQLFMYIFNSRP-YYDJUVGSSA-N 387.439 3.588 50 40 GHGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3cccnc3SC(F)F)cc2C1 12997246 AZDGAKYQDCYSNH-VIFPVBQESA-N 397.472 3.657 50 40 GHGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 9088545 NKRBOPIMGXYFBX-AWEZNQCLSA-N 378.881 3.755 50 40 GHGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cccc(OC(C)C)c2)cc1 16158029 NVHSFKYFOWXJDU-QRVIBDJDSA-N 378.432 3.636 50 40 GHGB CCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2)c2cc(Br)ccc21 409144526 LLJPYNSABVYQRD-BMRADRMJSA-N 396.244 3.731 50 40 GHGB CCCOc1ccc(C(=O)N/N=C\c2ccc(O)c(OCC)c2)cc1OCC 409322322 JXQCQIQMXAWTPD-HMAPJEAMSA-N 386.448 3.742 50 40 GHGB COc1ccc(/C=C/C(=O)N/N=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 409053732 HJUZILTVUQDDRV-VUPMOJOHSA-N 390.399 3.558 50 40 GHGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(Br)cc1 1087628 BJECUNALVRGARI-CAOOACKPSA-N 398.054 3.681 50 40 GHGB COc1cc2c(cc1/C=C(\C#N)C(=O)NCc1ccc3c(c1)OCO3)CCCC2 12419672 LQZQLVVKPCACKV-VXLYETTFSA-N 390.439 3.526 50 40 GHGB O=[N+]([O-])c1ccc(SC[C@H](Cl)CS(=O)(=O)Cc2ccccc2)cc1 1099000 XPPWRTNCCDJIMF-AWEZNQCLSA-N 385.894 3.909 50 40 GHGB CCc1ccc(OCC(=O)N/N=C(/C)c2ccc(Br)cc2)cc1 5247979 VQUABBMMYZQLKV-MOSHPQCFSA-N 375.266 3.931 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1 5772855 AENKQDLHNSKNLT-FOKLQQMPSA-N 384.798 3.754 50 40 GHGB Cc1ccc(/C=N\NC(=O)COc2c(C)cc(Br)cc2C)c(O)c1 13842675 FTCRCNBDFNLPAL-UKWGHVSLSA-N 391.265 3.609 50 40 GHGB Cc1cc(C)c(OCC(=O)N/N=C\c2cccc(C)c2O)c(Br)c1 15938620 MPZASUOOBIHZST-UKWGHVSLSA-N 391.265 3.609 50 40 GHGB CN(C)c1ccc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 31949127 IGXOXTDRGBZPMS-JLPGSUDCSA-N 386.455 3.769 50 40 GHGB Cc1ccsc1/C=N/NC(=O)c1c(C)nc2ccc(Br)cn12 32127982 RNGKFRZOPSURTL-REZTVBANSA-N 377.267 3.539 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 408798282 VMYYXSHUQZMBDP-LDADJPATSA-N 378.428 3.791 50 40 GHGB O=C(N/N=C\c1cc(Br)c(N2CCCC2)o1)Nc1ccccc1 408814937 QTFDMAWDMHFGLA-WQRHYEAKSA-N 377.242 3.798 50 40 GHGB Cc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc1 1092034 QKVYVGOVHLWWOF-CIAFOILYSA-N 397.276 3.766 50 40 GHGB CC[C@H]1C(C#N)=C(S[C@H](C(N)=O)c2ccccc2)NC2=C1C(=O)CC(C)(C)C2 2275205 QVCRVHJDEHAJKJ-LIRRHRJNSA-N 395.528 3.954 50 40 GHGB N#CC1=C(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)S[C@@H]2CCC[C@@H]12 5025211 PVAGENFGYOHXRV-SUMWQHHRSA-N 384.461 3.575 50 40 GHGB O=C1/C(=N\Nc2ccc3ccccc3n2)c2ccccc2N1CCBr 6896959 GPIRYTHLHGLGBR-NKFKGCMQSA-N 395.260 3.793 50 40 GHGB C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 8684847 PCPVQKJINZHAPX-XDJHFCHBSA-N 385.423 3.692 50 40 GHGB O=C(N/N=C/c1ccccc1O)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1 17015914 KUYUSCCYOTWVGU-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/C=C/c1ccc2c(c1)OCO2 18194833 OOPAZVAJICMZHV-JLYHNWEPSA-N 393.226 3.916 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1O 35406318 FSFOMIZVAURIES-CIAFOILYSA-N 385.420 3.761 50 40 GHGB C=CCOc1cccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 408720115 SLEJVVNKIMCGBW-UDWIEESQSA-N 385.445 3.543 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1C 409223306 FEDNKPOWJVDVIL-DHRITJCHSA-N 375.476 3.668 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1cccs1 3101633 YXUZLXIPTXIJNW-WSDLNYQXSA-N 395.440 3.525 50 40 GHGB CC(=O)N(NC(=O)P(=O)(OC(C)C)OC(C)C)c1ccc([N+](=O)[O-])cc1 3921168 XUISTOAUPRCURO-UHFFFAOYSA-N 387.329 3.615 50 40 GHGB N#CC1=C(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)S[C@@H]2CCC[C@H]12 5025212 PVAGENFGYOHXRV-CXAGYDPISA-N 384.461 3.575 50 40 GHGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1O 36182086 QQXFUBULHPUAJA-JMIUGGIZSA-N 385.763 3.978 50 40 GHGB CCCS[C@@]1(c2ccccc2)OC(/N=C/N(C)C)=C(C#N)C1=C(C#N)C#N 100251541 MTPIVLNFKJWGLQ-LSCMLXDISA-N 377.473 3.682 50 40 GHGB Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)OC(CCl)CCl)[C@H]3C=C[C@H]2C3)cc1 101657584 CKRBMAIGKLWNGT-CLROSIBMSA-N 382.287 3.761 50 40 GHGB COc1ccc([C@@H]2C(C#N)=C(SCC(N)=O)N=C3CC(C)(C)CC(O)=C32)cc1 104104708 YVMVKIYFXBPXQF-GOSISDBHSA-N 397.500 3.819 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)o3)c2C)c1 408588785 JRDRBFFUERFVQK-WSDLNYQXSA-N 379.416 3.546 50 40 GHGB N#CCn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21 409370196 MQWNXFUWPJNOPU-SRZZPIQSSA-N 381.233 3.691 50 40 GHGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC 4159148 LKIUAEGRQGXRRR-BIRYMOPTSA-N 386.492 3.856 50 40 GHGB COc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)CCCl)n2)cc1 4215105 YOGLTFLOJZGQTM-HNNXBMFYSA-N 380.897 3.960 50 40 GHGB O=C(NNC(=O)c1ccc(Br)s1)c1ccc2ccccc2c1 7652847 PPFRABWGEZDRAV-UHFFFAOYSA-N 375.247 3.739 50 40 GHGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1O 83313325 ZLHXMKOEKVGZLF-OCKHKDLRSA-N 389.205 3.673 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Cl)c1O 409352476 VZBNHEVEGISVCL-DJKKODMXSA-N 397.656 3.971 50 40 GHGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 5002768 JAWDFQVOTJXZSB-QGMBQPNBSA-N 397.174 3.964 50 40 GHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C#N)c1C 6350299 VIVMJYMZWRKTSS-RIYZIHGNSA-N 382.416 3.963 50 40 GHGB CC(C)c1[nH]nc2c1[C@H](c1ccc(Br)cc1F)C(C#N)=C(N)O2 8783193 RKPTYWQVMQSGPC-GFCCVEGCSA-N 377.217 3.653 50 40 GHGB CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OC 12363464 UXGLAJSVAMMZER-YBEGLDIGSA-N 391.427 3.886 50 40 GHGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 13921433 YJSFMXXMBUMONZ-DJKKODMXSA-N 382.272 3.804 50 40 GHGB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12 15987006 IWOCHISJTBUDMW-YXUUZYBBSA-N 384.480 3.624 50 40 GHGB C=CCN(c1ccc(C(=O)N/N=C(\C)CC)cc1)S(=O)(=O)c1ccccc1 19926599 RJDKTWJYRMQFDS-LTGZKZEYSA-N 385.489 3.584 50 40 GHGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(OCc2ccccc2)cc1 59516049 VDQZKHPSGZYJCC-LFVJCYFKSA-N 393.487 3.555 50 40 GHGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cccc2ccccc12 408606105 OANXJPKBMSOSFN-SFHVURJKSA-N 390.468 3.788 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 408719177 JROCFGBWTURUAF-UDWIEESQSA-N 387.461 3.767 50 40 GHGB N#C/C(=C\c1ccccc1O)C(=O)Nc1cccc(I)c1 408752242 HALBSLQNKFGWOZ-XYOKQWHBSA-N 390.180 3.542 50 40 GHGB C/C(=N\NC(=O)Nc1ccccc1)c1ccc(I)cc1 408769410 TXYHZKRFNSUBDV-WOJGMQOQSA-N 379.201 3.837 50 40 GHGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)c1 408960271 KNHHKVIPPMKOJZ-IWIPYMOSSA-N 379.504 3.995 50 40 GHGB O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C/c1ccc([N+](=O)[O-])o1 3099065 WGSITDUOSABXNH-YAXRCOADSA-N 392.582 3.677 50 40 GHGB N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 875695 IVYPUFCZYHUBJI-NTEUORMPSA-N 390.424 3.614 50 40 GHGB O=C(CCCSCCCC(=O)NNc1ccccc1)NNc1ccccc1 4768984 WYPGMQNHDPAICF-UHFFFAOYSA-N 386.521 3.567 50 40 GHGB C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1cccc2ccccc12 4904567 HVGGYIDXPJZDOM-MFKUBSTISA-N 377.419 3.791 50 40 GHGB CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 20244094 UVIXIUBDADWXLB-WSDLNYQXSA-N 387.867 3.854 50 40 GHGB CCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 107804846 BJAGGYOMLUGHAL-ZVBGSRNCSA-N 382.247 3.973 50 40 GHGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)c1 409071603 OQMUBACDJZJOQQ-JJFYIABZSA-N 398.802 3.856 50 40 GHGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)c(OC)c1 1453894 WHMBLEALBGXBIS-WJDWOHSUSA-N 394.427 3.815 50 40 GHGB CN(C)N1C(N)=C(C#N)[C@H](c2ccsc2)C2=C1C[C@H](c1ccccc1)CC2=O 691047 GVIBZHDXBZPZJY-JXFKEZNVSA-N 390.512 3.719 50 40 GHGB O=C(CSc1ncnc2sc3c(c12)CCC3)NC1=CC=CC[C@@H]1Cl 950107 MRAJNBLYWOMKNX-NSHDSACASA-N 377.922 3.840 50 40 GHGB N#Cc1ccc(/C=N/NC(=O)c2cccc(N/N=C/c3ccc(C#N)cc3)c2)cc1 4863746 KSSHYLXJNFZONH-JQMRRPHZSA-N 392.422 3.640 50 40 GHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Br 5678899 LBJPJCDGMJSPLQ-CAOOACKPSA-N 382.601 3.775 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(OCC)c1 7385471 KHBRHMXHPFRCQO-XQNSMLJCSA-N 381.476 3.848 50 40 GHGB O=C(N/N=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1O 7814864 KNKIFAOJBQWAMT-WSDLNYQXSA-N 395.346 3.996 50 40 GHGB O=C(COc1ccc(Cl)cc1Cl)NNC(=S)Nc1ccc(F)cc1 8681136 LCJAIHVROUAWEW-UHFFFAOYSA-N 388.251 3.529 50 40 GHGB O=C(Cc1n[nH]c(=O)c2ccccc12)NNc1c(Cl)cc(Cl)cc1Cl 27569009 XUUARWYWEXDCHK-UHFFFAOYSA-N 397.649 3.569 50 40 GHGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C 33752759 LXGNEUUPABVQHF-OYKKKHCWSA-N 389.455 3.794 50 40 GHGB CCOc1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 33921586 CPNIZWCVOBDXGM-WJDWOHSUSA-N 385.427 3.798 50 40 GHGB O=C(CNc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 409393751 ZWJGAWPHWCFGCF-SSDVNMTOSA-N 382.807 3.964 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1COC(C)=O 662984 XJBREQAZNICRSR-ZVBGSRNCSA-N 395.242 3.829 50 40 GHGB COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1 1791199 VTSFUIWVNDAECH-ZIFCOWSCSA-N 392.798 3.933 50 40 GHGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2373611 VFRUMLCLMVLELE-AWZALFRUSA-N 397.887 3.512 50 40 GHGB N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4834566 AATSSUCGBXMQGK-UVTDQMKNSA-N 391.412 3.794 50 40 GHGB Cc1cc(/C=N/NC(=O)c2cccnc2Cl)c(C)n1-c1ccc2c(c1)OCO2 6266119 VEUZSRSGUIZRHJ-AUEPDCJTSA-N 396.834 3.635 50 40 GHGB N#C/C(=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cc1 6549777 AQHNKQWAFXRAGK-NTEUORMPSA-N 393.218 3.696 50 40 GHGB C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 58914413 JNYOASATODCDAI-CIKLGQITSA-N 395.846 3.928 50 40 GHGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 59447381 HKEAEDSRLIENPN-WOJGMQOQSA-N 376.210 3.820 50 40 GHGB CCCC[C@H](C)[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H]2O/C(=C(/C#N)CCCC(=O)O)C[C@@H]21 168768274 OJIGXQJDLFUVFM-PJLUXCLUSA-N 391.508 3.548 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(C)=O 408758638 OGSXOTBZAHGWGQ-HZHRSRAPSA-N 391.427 3.565 50 40 GHGB O=C(N/N=C/c1ccccc1Br)c1cc2cc([N+](=O)[O-])ccc2o1 408965320 VQNXFXWLEYGWAY-GIJQJNRQSA-N 388.177 3.867 50 40 GHGB O=C(NNC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(Cl)cc1 409224818 MWJNVJLWCSBMLN-UHFFFAOYSA-N 393.830 3.667 50 40 GHGB CC(=O)OCc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)cc1C 830367 HPSVGWJEQWEMNI-FQEVSTJZSA-N 394.471 3.817 50 40 GHGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 840360 FBTGYIPCQZOWMG-UHFFFAOYSA-N 388.594 3.630 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 5130256 QAFGXDUWXWJIDP-QGZVFWFLSA-N 394.381 3.972 50 40 GHGB CCOC(=O)c1c(NC(=O)CC(Cl)Cl)sc2c1CC(C)(C)OC2 5953128 ULIMUTQXLBZXTJ-UHFFFAOYSA-N 380.293 3.908 50 40 GHGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)c1C 7380325 FYAASSRBUSDYIQ-UHFFFAOYSA-N 386.473 3.598 50 40 GHGB CC(C)(C)[Si](OC[C@H]1CC[C@@H]2OC(=O)C[C@H]12)(c1ccccc1)c1ccccc1 196880717 SZEYRRMRYKLNOX-QIJUGHKUSA-N 394.587 3.905 50 40 GHGB in-vitro N#CCOc1ccccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 408845470 NHIWIQBOXKOODX-NHDPSOOVSA-N 398.216 3.862 50 40 GHGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1F 408874535 DJDRAYARFXMICI-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1 408989185 HEDVFWNTRQGROP-SSDVNMTOSA-N 399.834 3.891 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)cc(OC)c3O)cc2c1 409187340 PCUNPAKVAURUHD-FBHDLOMBSA-N 388.807 3.963 50 40 GHGB O=C(N/N=C/c1cccc(Br)c1)c1cccc(Br)c1 3152129 QGOBJNAXHIAPLO-RQZCQDPDSA-N 382.055 3.976 50 40 GHGB CC(=O)O[C@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br 1628446 KTWIGALCELBUBD-INWYIAFRSA-N 380.032 3.565 50 40 GHGB Cc1cc(OCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc(C)c1Cl 4957243 CUOPWLYYUCSBHY-UHFFFAOYSA-N 390.911 3.699 50 40 GHGB O=C(N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1 8812265 PDXRJGJWOMPHKB-SRZZPIQSSA-N 383.335 3.670 50 40 GHGB O=C(NNc1ccccc1C(F)(F)F)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12924227 QHWUHTWKDCKTGO-INIZCTEOSA-N 393.365 3.580 50 40 GHGB C#CCN1C(=O)/C(=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 5379999 GWSKLJGEQIDLND-SBLBCILWSA-N 399.494 3.588 50 40 GHGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)o1 409191607 JAVVVOGZRKVZGB-RAXLEYEMSA-N 381.388 3.829 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1cccc(C)c1 408804831 ZPDRUGNCWKFBNG-DEDYPNTBSA-N 394.471 3.642 50 40 GHGB COc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1 83294525 QLMYWBOCRGFBKA-MTJSOVHGSA-N 379.372 3.936 50 40 GHGB C/C(=N\NC(=O)[C@H](C)Sc1ccccn1)c1cccc(Br)c1 5130205 QDMIPUACYGHFEQ-MKFNJMOCSA-N 378.295 3.865 50 40 GHGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1I 6183350 GAZDXELBWDNRMI-OSOQSIHTSA-N 382.245 3.568 50 40 GHGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1NC(=O)c1ccccc1 8334508 RWTQDNDNCQMRES-YDZHTSKRSA-N 394.862 3.906 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)c2ccc(Br)cc2)cc1OC 5621090 RDHAQKARPJPCEX-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)c1 5790060 VVOCNBHCYHMSTP-LJQANCHMSA-N 381.476 3.508 50 40 GHGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)cc1 1242151 WRFVEOLENJBJFD-LJQANCHMSA-N 378.382 3.986 50 40 GHGB Cc1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 2759679 LPINQMDCTPKXHN-SFHVURJKSA-N 388.452 3.731 50 40 GHGB COc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](Br)C2=O 4934198 KIVGMRXRLDTYRC-UWIFEVILSA-N 381.266 3.804 50 40 GHGB O=C(N/N=C/c1ccccc1I)c1ccccc1Cl 5678733 DQFIWJUDWDQCOV-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB COc1ccc(CCC(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 6645928 OTLBKVAWCRXJFE-DEDYPNTBSA-N 375.266 3.931 50 40 GHGB CC/C(=N\NC(=O)c1ccccc1I)c1ccc(O)cc1 12402001 GCUZAJGARKTMMI-OBGWFSINSA-N 394.212 3.541 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 20197219 HOQPEDFDOUJMHT-YBFXNURJSA-N 377.238 3.707 50 40 GHGB C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCc4sccc4[C@H]3C)cc2C1 84700209 HUSSYGLCIHXRNG-NWDGAFQWSA-N 389.546 3.908 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c2ccccc21 107884843 WNFAFUPUXHDCRT-HRJSCQECSA-N 395.503 3.789 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408797565 SCIBUYDENPMFEW-LDADJPATSA-N 378.428 3.791 50 40 GHGB Cn1nc(C(F)(F)F)c(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c1Cl 4738390 AOMNUSUPQKJRMK-GZIVZEMBSA-N 388.821 3.759 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc([N+](=O)[O-])c1O 40139936 RIKMVLFVYYOSIP-NYYWCZLTSA-N 381.319 3.719 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)cc1 66255772 OVSAVXALIXLBAU-LGMDPLHJSA-N 395.434 3.607 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408768030 BHNFPRNJERPKEE-NVNXTCNLSA-N 385.851 3.877 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1O 408796442 YDJFMEAZPAFENA-WUXMJOGZSA-N 387.779 3.898 50 40 GHGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 408824086 PIWQTFTYWPGEDH-XNTDXEJSSA-N 396.830 3.915 50 40 GHGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc2c1OCCO2 58915814 QCXAPEVBXNJHGS-ZICWZVMQSA-N 376.865 3.742 50 40 GHGB Cc1cccc(C(=O)NN=C2CCC(=NNC(=O)c3cccc(C)c3)CC2)c1 59488922 NREHYHWYSBXCCF-UHFFFAOYSA-N 376.460 3.749 50 40 GHGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc[nH]c3=S)cc2)cc1 12736090 MAJAFPFUYDFPDS-UHFFFAOYSA-N 399.497 3.642 50 40 GHGB CCC[C@@H](C(=O)OCC)/C(C)=N\NC(=O)COc1cc(C)ccc1C(C)C 101358382 UJHGEOCSGLVZHZ-ZSYKKXJESA-N 376.497 3.969 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2)cc1 4672212 XASASBCMSYGXRX-RYQLWAFASA-N 398.466 3.831 50 40 GHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 5548854 ZOBHLEPIWXLBBW-YDZHTSKRSA-N 392.411 3.645 50 40 GHGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 409075638 ZHLPOKKBTUHPHZ-QGOAFFKASA-N 388.423 3.687 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1Br 408761972 IVIVINCLRJLPSC-YBFXNURJSA-N 377.238 3.620 50 40 GHGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccc(Cl)cc2)CC1 409004821 DWXBSGZFCQTREI-OEAKJJBVSA-N 383.879 3.651 50 40 GHGB O=C(N/N=C/c1coc2ccccc2c1=O)Nc1cc(Cl)nc(Cl)c1 2581879 AHLQVAGGVOXQJQ-FBCYGCLPSA-N 377.187 3.650 50 40 GHGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccc(C)cc1 4459872 HUQFBTBRRJKAIT-FYJGNVAPSA-N 388.265 3.892 50 40 GHGB CCCCCCCC[C@@H](C[Si](OC)(OC)OC)[Si](OC)(OC)OC 198363670 GNBPMOQUHWCSGK-INIZCTEOSA-N 382.646 3.863 50 40 GHGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccccc2)cc1 409265327 HONGPRUJOIJESS-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 752467 WOGBCQGCWMTUEA-FOIQADDNSA-N 387.395 3.803 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(Br)cc1 919209 ZIQLTMYBZYBOSC-RQZCQDPDSA-N 382.055 3.976 50 40 GHGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4)CC(=O)N3C2)cc1 2323595 AHOZLDKDAZQHQS-SFHVURJKSA-N 377.469 3.915 50 40 GHGB COC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2ccc(C)cc2C)c1C 4954290 YKILRNAWUAMAII-UHFFFAOYSA-N 394.880 3.890 50 40 GHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(I)c1 408720137 YHEKNLJGRWKXPT-VCHYOVAHSA-N 398.631 3.637 50 40 GHGB COc1ccc(SCC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)cc1 408960591 NAPIVSCXPZNOJE-HMAPJEAMSA-N 383.517 3.846 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)cs1 409017686 OIGGPCVBGYZXOL-UWVJOHFNSA-N 390.262 3.588 50 40 GHGB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2ncccc2c1 2359065 ZDNRVWRQTZBKBP-BXVPSSOQSA-N 384.480 3.624 50 40 GHGB C[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(N4CCOCC4)s3)cc2C1 3380880 UPSYTSJKLVUUSY-HMHKGCENSA-N 389.546 3.535 50 40 GHGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1C 6654936 PCSLRAADJPVCBR-GHRIWEEISA-N 386.455 3.899 50 40 GHGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc(O)cc(O)c1 15934415 XXUHNBWDEYENAP-ZMOGYAJESA-N 385.423 3.865 50 40 GHGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)C1CC1 7711944 CJHWRWVEVNEFDN-PPNJIUILSA-N 385.895 3.616 50 40 GHGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2OC)sc2c1CCCC2 16758970 UXZLWMGBMOVXQZ-KAMYIIQDSA-N 396.468 3.968 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)c(C)c1 409132849 LXTWSKRBALGNEP-CQSZACIVSA-N 381.457 3.607 50 40 GHGB O=C(CCCC(=O)N/N=C\C=C\c1ccccc1)N/N=C\C=C/c1ccccc1 17419908 NYYGHPIEMYUHCN-PHLSXVLMSA-N 388.471 3.788 50 40 GHGB COc1cccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 1431146 HRFDHTHGESJEOP-LFVJCYFKSA-N 397.438 3.707 50 40 GHGB CC(=O)OCc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)cc1C 830368 HPSVGWJEQWEMNI-HXUWFJFHSA-N 394.471 3.817 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1 943557 ZVYIJEZJTUTKEM-HSWQHBDASA-N 391.265 3.684 50 40 GHGB O=C(CNc1ccc(Br)cc1)N/N=C/c1c(O)ccc2ccccc12 1500985 APWFVYMJDKIWPU-SSDVNMTOSA-N 398.260 3.870 50 40 GHGB C=CCc1cc(/C=C(\C#N)C(N)=O)cc(OC)c1OCCOc1ccc(C)cc1 4508551 WWXBUGMJFNJBOE-CPNJWEJPSA-N 392.455 3.582 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(C)cc1 4739480 KFHVZWNWARNLAO-SRZZPIQSSA-N 390.281 3.718 50 40 GHGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc2ccccc2n1 6448670 CKZIFGMCRMNUQO-UHFFFAOYSA-N 397.434 3.742 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)C4CCCCC4)ncnc32)cc1Cl 7443141 LQWLWRSRNLJMIS-UHFFFAOYSA-N 384.871 3.801 50 40 GHGB Cc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1 12275786 UWSXGFSBCXFLDZ-LAUBAEHRSA-N 380.444 3.777 50 40 GHGB Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)c3ccccc3)ncnc21 17121573 XIJBQLNLDGUQKJ-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB CCOC(=O)[C@H](CC(C)C)N[P@@](=O)(CCl)N(CCCl)CCCl 104386506 WGENXYODNIGDPI-YTEVENLXSA-N 395.695 3.723 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 169879755 NIMPGFNJMDWFMH-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1c[nH]c3ccccc13)CO2 4523684 VUHUEVQPCUFNQB-QMFCMINHSA-N 377.444 3.756 50 40 GHGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1cccs1 5771592 VCJOMUBZKLAEMC-UDWIEESQSA-N 394.412 3.673 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9201279 VTENQDJAYLVKHR-YDZHTSKRSA-N 377.444 3.585 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1C(F)(F)F 18142443 YMBGFWITMIJRFA-OAHLLOKOSA-N 383.329 3.765 50 40 GHGB CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(/C)c2cccnc2)C1 97962594 DXAQEGQYDZQEFD-RMQQKZCOSA-N 386.540 3.911 50 40 GHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 208256443 JMLQYURFEZRXBE-UZYVYHOESA-N 388.515 3.789 50 40 GHGB O=C(c1cc(Br)cs1)[C@@H](Br)CBr 306820867 NIPTWDKZBKLLEO-YFKPBYRVSA-N 376.895 3.852 50 40 GHGB Cc1cc(OCC(=O)N/N=C/c2ccc3c(c2Cl)OCO3)cc(C)c1Cl 723672 FNBYFNAIDCUTQC-QPSGOUHRSA-N 395.242 3.868 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1 6684486 YFYNGYOVAQXHLV-BUVRLJJBSA-N 388.423 3.669 50 40 GHGB O=C(NNc1ncnc2c1cnn2-c1cccc(Cl)c1)c1cccc(Cl)c1 7393233 SJGMESPCJUQYMT-UHFFFAOYSA-N 399.241 3.879 50 40 GHGB Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 38379235 CIHBHOVUBUPMFE-MTJSOVHGSA-N 389.371 3.575 50 40 GHGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3Cl)c21 985813 FRQQEIDMPYKFDU-MRXNPFEDSA-N 378.819 3.957 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 942025 TXCDZICBWXZKTM-HLVNSREUSA-N 395.484 3.526 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(C(=O)O)cc1 59334778 XWXQGQCDCPCQRV-MOSHPQCFSA-N 390.439 3.687 50 40 GHGB C#CCn1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 9203238 NXVXSKUMXFENQV-LPYMAVHISA-N 394.272 3.730 50 40 GHGB Cc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1 12275437 DZLFRQZZCULJPX-PGRDOPGGSA-N 376.481 3.947 50 40 GHGB O=C(CCCSc1ccccc1)NNC(=O)c1ccc(Br)s1 7653422 XJBDNXFJTWXIJA-UHFFFAOYSA-N 399.335 3.844 50 40 GHGB COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1 16790706 ZOCKYFBSALZQPL-SSZFMOIBSA-N 392.484 3.660 50 40 GHGB C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccc2c(c1)OCCO2 409392516 PYRKNJPKNYWVQI-BUVRLJJBSA-N 375.428 3.563 50 40 GHGB N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCc1c[nH]c2ccccc12 408948285 FHDSMXTXEHHWSG-IURGNXBSSA-N 386.411 3.898 50 40 GHGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1ccc(Cl)cc1 33752902 XGGPSONNQDVHFN-BKUYFWCQSA-N 382.807 3.732 50 40 GHGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccccc1Cl 216836821 DUESSCKDNOSWCY-UHFFFAOYSA-N 399.672 3.684 50 40 GHGB N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(I)cc1 208466560 MPTRKRJKSGURHK-XFXZXTDPSA-N 390.180 3.542 50 40 GHGB Cc1ccc(-c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)o2)cc1[N+](=O)[O-] 2271696 ATKGEIDCGDEFNI-IBGZPJMESA-N 391.383 3.978 50 40 GHGB O=C(NNC(=O)c1ccc(Br)o1)Nc1ccc(Cl)c(Cl)c1 2736487 QSEPZUUBEOQSIO-UHFFFAOYSA-N 393.024 3.815 50 40 GHGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)NCCc1ccccc1 2768836 ORNQOTCQEMQSGW-LFIBNONCSA-N 385.261 3.724 50 40 GHGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 4305858 FQAIFMDMJRSVMJ-UHFFFAOYSA-N 391.252 3.972 50 40 GHGB O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 4784685 BVYQHKIQTMKHNA-HYARGMPZSA-N 389.367 3.578 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1 7814867 XLYWWRMQPOTOJF-GZTJUZNOSA-N 375.384 3.704 50 40 GHGB COc1cc(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OC 8109838 VAZRKTHSGXBGFZ-DJKKODMXSA-N 397.656 3.884 50 40 GHGB Cc1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 28218110 CCCFHOWTHUXHRL-MFKUBSTISA-N 396.450 3.517 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccccc1 57786989 GZPOYPCOJCMAPH-MFKUBSTISA-N 385.423 3.910 50 40 GHGB C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)c1cc(Cl)ccc1O 100090564 JQDSJBRWBKRFDI-SSDVNMTOSA-N 394.258 3.511 50 40 GHGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1 408706890 DTIWIPJHYPQQCT-FSJBWODESA-N 386.883 3.614 50 40 GHGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)c1C 408735939 ZPPWTIMWDBYGPN-HNLWVNFGSA-N 377.488 3.913 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)cc1Cl 409067388 XWTSHCZJTOHKFY-JJFYIABZSA-N 398.802 3.856 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)cc2nc1Cl 925147 YPPHUEAQKGXVFQ-KRWDZBQOSA-N 383.835 3.841 50 40 GHGB Cc1cc(Br)cc(/C=N/NC(=O)COc2c(C)cccc2C)c1O 1444619 GIOZVEFRMXJUSF-AWQFTUOYSA-N 391.265 3.609 50 40 GHGB O=C(CCn1c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccccc1O 5616783 JDUOQJGNPOOIMU-KOEQRZSOSA-N 398.466 3.873 50 40 GHGB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3F)cc1)C(C#N)=C(N)O2 5941190 LERSBMHKTQPPSH-LJQANCHMSA-N 376.391 3.654 50 40 GHGB O=C(CCSc1ccc(F)cc1)NNC(=O)COc1cccc2ccccc12 7061709 UAKMSOFBAHFMAF-UHFFFAOYSA-N 398.459 3.688 50 40 GHGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccccc1C(C)C 12137430 DHSFUQZKMSUZPF-IBGZPJMESA-N 384.476 3.502 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1F 28217400 HNXJRAKSNAKJPS-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB COc1cc(OC)c(/C=N\NC(=O)c2cccc(C)c2)cc1Br 33333589 PSJCXNGAVYSQGM-GRSHGNNSSA-N 377.238 3.539 50 40 GHGB CCCC[C@H](C)[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H]2O/C(=C(\C#N)CCCC(=O)O)C[C@@H]21 168768390 OJIGXQJDLFUVFM-ZEXXSZACSA-N 391.508 3.548 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc([N+](=O)[O-])c1O 408859563 VENBWTQPNWRNBP-OQLLNIDSSA-N 381.388 3.807 50 40 GHGB Cc1ccccc1OCC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C 408891709 BTRNBCAQETTYSQ-WSDLNYQXSA-N 382.851 3.672 50 40 GHGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c1 1051536 UCGCYLFKRUJTOM-DJKKODMXSA-N 397.656 3.640 50 40 GHGB NNC(=O)c1c(-c2ccccc2)nc2n(Cc3ccccc3)c3ccccc3n12 1414442 GANPPBTTYBMEPQ-UHFFFAOYSA-N 381.439 3.608 50 40 GHGB CC[C@H]1CN/C(=N\c2ccc(/C(C)=N/NC(=O)c3ccccc3O)cc2)S1 7977979 VKVWXUHDSAEKJE-OHHQFBAHSA-N 382.489 3.649 50 40 GHGB CCOc1cc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1OC 11296599 CVTVUOXGTKIRRU-RVDMUPIBSA-N 388.431 3.669 50 40 GHGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1 12137424 AVGDPIYZHFSIKX-NRFANRHFSA-N 392.455 3.532 50 40 GHGB CCOc1ccc(/C(C)=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 20248479 IXBHFPRMKIOPJF-XSFVSMFZSA-N 387.461 3.767 50 40 GHGB Cc1nc(N)sc1C(=O)N/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1 42787224 FSSIRBSYACIYIF-PTXOJBNSSA-N 383.260 3.532 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC(C)C)c1 408815677 SZFFIJLLBPGSIS-OQLLNIDSSA-N 381.388 3.936 50 40 GHGB COCCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccccc1Cl 2198186 KPLJERVPZWAPLG-MRXNPFEDSA-N 378.881 3.589 50 40 GHGB COc1ccc2c(c1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](Br)C2=O 4934195 KIVGMRXRLDTYRC-MOIQIXESSA-N 381.266 3.804 50 40 GHGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 59473710 GABHTSRLILRWTG-FYJGNVAPSA-N 390.892 3.885 50 40 GHGB CCCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCc3ccccc32)cc1OC 12766852 CLTKINMRMSRBPK-IBGZPJMESA-N 396.487 3.755 50 40 GHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 5576094 IWXZUMZOUKVVBK-OEAKJJBVSA-N 376.460 3.948 50 40 GHGB CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 65999524 WKJXIMXNKAXKNZ-PDGQHHTCSA-N 380.444 3.716 50 40 GHGB CC(C)(C)OC(=O)NNC(=O)Nc1cccc(OCc2cccc(F)c2)c1 95996505 UMYXQALCWWVBRU-UHFFFAOYSA-N 375.400 3.966 50 40 GHGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 408969088 HATLPSRCONQQOI-FBHDLOMBSA-N 395.242 3.699 50 40 GHGB C=CCOc1cccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1 408691790 QCYYTKXABKTKBP-CIAFOILYSA-N 388.265 3.576 50 40 GHGB COc1cc(C)ccc1C(=O)N(NC(=O)c1cccc(OC)c1C)C(C)(C)C 135733565 RWMNZJYZSLFWJU-UHFFFAOYSA-N 384.476 3.906 50 40 GHGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/C=C/c1ccccc1 1754011 IATXDXCPZMRSHG-CXHGCJEXSA-N 391.258 3.930 50 40 GHGB Cc1ccc(C(=O)N[C@H](C(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1 102580391 JKDISBSBSWWQGO-KRWDZBQOSA-N 386.300 3.637 50 40 GHGB COCc1cc(C)nc(SSc2nc(C)cc(COC)c2C#N)c1C#N 1055085 VTQMEDPSMBURKN-UHFFFAOYSA-N 386.502 3.929 50 40 GHGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 2429192 PGRVKNKYPLYGJK-FOWTUZBSSA-N 389.411 3.574 50 40 GHGB C=CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C(=O)OC)cc1 3588797 BZGYRMQOSVLSMO-CPNJWEJPSA-N 377.396 3.688 50 40 GHGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2)c1C 4712281 LIYTVWRXLBXQIE-YDZHTSKRSA-N 375.428 3.865 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccc(Cl)cc4)ncnc32)cc1C 7393252 ZOASZTRMUQWJOV-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)[C@H]1COc2ccccc2O1 13617752 YAYLBVCSADUATD-VCYKRWNGSA-N 382.803 3.890 50 40 GHGB C#Cc1cccc(Nc2ncnc3cc(OCCCl)c(OCCOC)cc23)c1 34891970 BIHHIONDWPZXJC-UHFFFAOYSA-N 397.862 3.998 50 40 GHGB in-vitro COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccccc1Cl 408893276 DMTLRCTYWUONKJ-AWNIVKPZSA-N 377.227 3.973 50 40 GHGB COc1cccc(/C=N\NC(=O)COc2cccc(Cl)c2)c1OC(C)C 409020225 MUVFABXWOCODDH-NHDPSOOVSA-N 376.840 3.665 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc2c(c1)OCO2 1068822 AFJDPXSENYXIHZ-MRXNPFEDSA-N 392.802 3.677 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 59433162 HHEHAZAYINFCMT-CIAFOILYSA-N 395.371 3.636 50 40 GHGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 5381979 UAGTXNSUGYFLRG-LPYMAVHISA-N 392.371 3.594 50 40 GHGB CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCOCC1)=C(C#N)[C@@H]2c1ccccc1 18151953 XFOLXLAOZVTGPK-RASHHNMQSA-N 391.471 3.539 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CNC2CCCCC2)o1 409380993 CTRBNFXTXBCCIH-WSDLNYQXSA-N 384.436 3.536 50 40 GHGB Cc1ccc(C(O)(C(=O)N/N=C/c2cccc(F)c2)c2ccc(C)cc2)cc1 2199618 GCKDDKRSAKMZMR-MFKUBSTISA-N 376.431 3.829 50 40 GHGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O 2402792 GPUOIQBVXGBFKI-ACCUITESSA-N 395.802 3.610 50 40 GHGB CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1 3307924 HGADPQJEYJITBA-UHFFFAOYSA-N 395.381 3.506 50 40 GHGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 5119715 NLKWXEYXGZPNNE-XSFVSMFZSA-N 399.497 3.703 50 40 GHGB O=C(NNc1ncnc2c1cnn2-c1cccc(Cl)c1)c1ccccc1Cl 7393231 LZNYWTDFLBSADC-UHFFFAOYSA-N 399.241 3.879 50 40 GHGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CSc1ccccc1 12865612 QXHUCDISKLJKEI-OAHLLOKOSA-N 380.469 3.547 50 40 GHGB COc1ccc(C=NNC(=O)c2cccnc2)cc1CSc1ccccn1 15978682 LIYPNHMDOXCNRW-UHFFFAOYSA-N 378.457 3.541 50 40 GHGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1ccc(F)cc1F 8218946 OGDFTKSVTOUPAF-LBPRGKRZSA-N 385.370 3.738 50 40 GHGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc2ccccc2c1 15423152 PQINAQIINLLSEF-MRXNPFEDSA-N 377.282 3.848 50 40 GHGB CC/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccc(OC)cc1 15905957 DGHZGRMGWVEOOB-XDJHFCHBSA-N 377.238 3.707 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(Br)cc1 100062962 ZHAZRTRJDRFWFL-ZDLGFXPLSA-N 396.082 3.904 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-] 408598501 BQYHSKYSISOOTI-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB COc1cc(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1O 408817799 YLABYMVUBXKMTA-OCKHKDLRSA-N 389.205 3.673 50 40 GHGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(N)=O)cc1 4424613 VZELJQIOTAQZFU-IMGOXIFKSA-N 397.887 3.560 50 40 GHGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(C)C 4680621 IXGRIKROVUHXEJ-SRZZPIQSSA-N 376.840 3.665 50 40 GHGB Cc1ccc(N2C(=O)C(Cl)=C(/C(C#N)=C3\Nc4ccccc4N3C)C2=O)cc1 5446261 VQIFZISMXCUYCS-XMHGGMMESA-N 390.830 3.658 50 40 GHGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3s2)c1 8227521 XOFUZPCBFXKTAN-WSDLNYQXSA-N 398.513 3.887 50 40 GHGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(Br)c1 13954733 IVGYZNJBNRLACI-WOJGMQOQSA-N 376.210 3.820 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1c(O)ccc2ccccc12 17077916 NTGBGGVIOMFYOK-IBGZPJMESA-N 381.391 3.605 50 40 GHGB CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 32578384 YKEAFSZQMDCRTL-UFFVCSGVSA-N 381.259 3.793 50 40 GHGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCC2 34910126 CXJPUBYYWXFFCN-UKTHLTGXSA-N 378.413 3.952 50 40 GHGB N#C/C(=C/c1ccc(O)c(I)c1)c1cccc([N+](=O)[O-])c1 108137636 BHFOVFIDUOVFLH-SDQBBNPISA-N 392.152 3.969 50 40 GHGB C[C@H]1C[C@H](C[C@@H]2CC[C@@H](NC(=O)CCl)[C@H](C)C2)CC[C@@H]1NC(=O)CCl 254924666 VXWXNPYLHIYPKY-GGGWTEGZSA-N 391.383 3.696 50 40 GHGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2Nc2ccccc2C)cc1 666408 QCBBWLUVWDBEOG-UHFFFAOYSA-N 395.484 3.670 50 40 GHGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccc1I 3255424 JESIWPYOIYUIIX-FMIVXFBMSA-N 392.171 3.976 50 40 GHGB O=C(Cc1cn2ccsc2n1)N/N=C/c1cccc(Oc2ccccc2)c1 6210299 HAKNECSHMGBQMG-FYJGNVAPSA-N 376.441 3.881 50 40 GHGB C/C(=N\NC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2cccnc2)c1 17076925 WMMOIPKAUHHONZ-AFUMVMLFSA-N 376.391 3.627 50 40 GHGB Cc1cc(C)nc(NNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)n1 40145249 XXTDGYMDSVQACV-UHFFFAOYSA-N 398.898 3.544 50 40 GHGB O=C(CCc1ccc(F)c(F)c1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 47435583 IFUCARQJGYRDSQ-UHFFFAOYSA-N 389.280 3.968 50 40 GHGB Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c(=O)n2c([nH]c3ccccc32)c1C#N 104685450 YRVYCDVECWBYNR-GXDHUFHOSA-N 390.406 3.901 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3)c2C)cc1 408740665 CZPMCQPVXFCVDA-OEAKJJBVSA-N 375.428 3.645 50 40 GHGB Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1 408778567 HJBMQOHRIWVAEC-XKZIYDEJSA-N 392.415 3.531 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)o1 408987167 APUHPSCWQCQHPN-FBCYGCLPSA-N 390.654 3.835 50 40 GHGB Cc1n[nH]c2c1[C@H](c1cn(Cc3ccccc3)c3ccccc13)C(C#N)=C(N)O2 818731 DGRQEOVFQBEDNI-NRFANRHFSA-N 381.439 3.939 50 40 GHGB CCc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC)cc2c1 1223580 HXECJRVZOGSNLG-KRWDZBQOSA-N 383.835 3.705 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1O 57395534 ISHDNYWZHAYXHF-SDQBBNPISA-N 392.333 3.974 50 40 GHGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(OCc3ccccc3)cc1)C(=O)N2 6280845 XZCGYSACJKMHEN-UHFFFAOYSA-N 399.450 3.969 50 40 GHGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5578954 VGRIKMFTFPXHAW-UHFFFAOYSA-N 379.504 3.854 50 40 GHGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)sc2c1CCC2 4860358 MINALNVCFAUODF-KAMYIIQDSA-N 396.468 3.968 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Br)s1 408997954 PGLAUYZMOQGHGE-DJKKODMXSA-N 390.262 3.588 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)o1 409357713 QVZCYFOKKZYIRE-FOKLQQMPSA-N 396.378 3.865 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br 408966260 KXQFLIUDTCVMRU-UFFVCSGVSA-N 390.212 3.622 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 408719705 KHAVSCPRBQIODV-RGVLZGJSSA-N 387.461 3.766 50 40 GHGB COC(=O)c1cc(C(=O)CBr)ccc1OCc1cccc(OC)c1 85397479 HHZXVUDUIPVDLY-UHFFFAOYSA-N 393.233 3.638 50 40 GHGB CCCCOC(=O)Nc1ccc(S[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 255189260 OSGAMGZLNOXEFE-KBPBESRZSA-N 377.915 3.532 50 40 GHGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1 972962 MKKXIACLVFTWLV-CAOOACKPSA-N 398.054 3.681 50 40 GHGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 2759062 CEXRQOFIKPQIHL-DJAVKIJBSA-N 398.466 3.741 50 40 GHGB CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(O)cc2)[nH]n1 4677859 GBRXEKZGLKEXLW-HYARGMPZSA-N 378.432 3.725 50 40 GHGB CC(C)C(=O)NNC(=O)CSc1nc(C2CCCCC2)nc2ccccc12 4848536 YTDUGUOAMUKPPO-UHFFFAOYSA-N 386.521 3.573 50 40 GHGB C/C(=N\NC(=O)c1cncc(Br)c1)c1ccc(Br)cc1 5007263 UBHMFBJOCAOJHB-GIJQJNRQSA-N 397.070 3.761 50 40 GHGB C[C@H]1CCc2sc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2C1 6511804 GBLPNPMIULTAPJ-LBPRGKRZSA-N 393.468 3.872 50 40 GHGB COc1ccc(O)c(/C=N/NC(=O)COc2ccccc2-c2ccccc2)c1 8182067 BQNKGIJUTPHGCP-OEAKJJBVSA-N 376.412 3.597 50 40 GHGB CCCOc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1OC 15476988 KCZAKDIFUVNHGR-UHFFFAOYSA-N 378.428 3.712 50 40 GHGB CCOc1cc(C(=O)NN)cc(Cl)c1OCc1cccc(Br)c1 226326770 WDDKBHMXJVVULJ-UHFFFAOYSA-N 399.672 3.684 50 40 GHGB CC(C)COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1Br 408603596 RWHKJZQGRYVPDT-JMIUGGIZSA-N 391.265 3.953 50 40 GHGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3C(F)(F)F)CC2=O)cc1 409263130 AEXNIYGOBBQRIQ-BHVZIVLHSA-N 389.377 3.517 50 40 GHGB COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccc(C)cc1 59401545 JEXGIRTWVPWJCT-KEBDBYFISA-N 391.265 3.815 50 40 GHGB N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(C(=O)O)cc1 44023837 FIYSXZCGGXXJCQ-OQLLNIDSSA-N 392.802 3.770 50 40 GHGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1C 4511888 QXBUBFDEJAXFSB-SFQUDFHCSA-N 396.399 3.831 50 40 GHGB CCCNC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6879813 DHNAVMSONYIMDI-UHFFFAOYSA-N 382.851 3.909 50 40 GHGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cccc(C)c2)cc1 408776566 VZBPSVBJZCRAML-UHFFFAOYSA-N 399.516 3.545 50 40 GHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(OCC)c1 408787745 FREWZOJCMJHLFQ-SFQUDFHCSA-N 394.427 3.816 50 40 GHGB O=C(NN[C@@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccccc1 408734524 XXDRMBFEGSLREK-LJQANCHMSA-N 379.847 3.954 50 40 GHGB Cc1cccc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c1 989438 NRMRSJQILANEBW-UFWORHAWSA-N 397.656 3.646 50 40 GHGB O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)[C@@H](O)c1ccccc1 1252010 BPLKXFLBKYXJPZ-IUOVYFEOSA-N 399.244 3.893 50 40 GHGB CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)c1ccccc1 7695509 WOALHKCIYDGCCT-VXNZKSKFSA-N 391.471 3.644 50 40 GHGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1cccc(Cl)c1 100090466 JWQWUXKSDADRPS-WYMPLXKRSA-N 387.911 3.777 50 40 GHGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(CN2CCOCC2)cc1 24539333 BVDYHUBBADXAGN-WSDLNYQXSA-N 392.286 3.590 50 40 GHGB COc1ccc(CCNC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(C)cc2)cc1 5728621 YVMVBEHBRMOSGN-CPNJWEJPSA-N 386.455 3.660 50 40 GHGB Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 1092744 ARQAMMMBYUOZCG-UFFVCSGVSA-N 384.779 3.854 50 40 GHGB N#C/C(=C/c1cnn(CCCl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 57738477 IQAISMRIKYFSMU-XGICHPGQSA-N 390.679 3.767 50 40 GHGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1CCCN1c1nccs1 84517745 HDTRRZOIFJZMIV-SFHVURJKSA-N 376.485 3.681 50 40 GHGB CC(C)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 13042022 DRYWNTPWLJZSAE-UHFFFAOYSA-N 392.546 3.764 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)c(C)c1 408788182 IWLZOUJWYCJCEW-OVCLIPMQSA-N 384.819 3.966 50 40 GHGB O=C(O)Cn1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc21 28630574 SUMYLZQOVKGRHJ-AFPJDJCSSA-N 395.802 3.889 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)o2)cc1[N+](=O)[O-] 408968084 UDYKDBYVOVQQPD-FOKLQQMPSA-N 392.346 3.938 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2ccc(C)s2)nnc1-c1ccc(C)cc1 1240289 ZKQXLHAXHOSWOT-RGVLZGJSSA-N 399.545 3.886 50 40 GHGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2)cc1 1479718 MKHDTYBOMHOAPG-HYARGMPZSA-N 388.383 3.611 50 40 GHGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2C(F)(F)F)[C@@H]2CSCC=C12 1052096 UAPYAUOPIUSTSK-GDBMZVCRSA-N 386.402 3.862 50 40 GHGB N#Cc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 1434140 BLEJQFATJYMBGA-AFUMVMLFSA-N 386.386 3.714 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1O 409379013 UCLXKNIYFLPGRZ-AWNIVKPZSA-N 390.237 3.614 50 40 GHGB COc1cc(Br)c(/C=N/NC(=O)c2ccccc2C)cc1OC 4544393 LLGOSZYPXCCNBA-VXLYETTFSA-N 377.238 3.539 50 40 GHGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCCCn1ccnc1 6554036 CVPOFFLDHIWHLY-VBKFSLOCSA-N 380.835 3.910 50 40 GHGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(C(=O)O)c1 33644408 PNYFMKSQLFCJTD-AQTBWJFISA-N 375.428 3.921 50 40 GHGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2[C@@H](C)CC1(C)C 223548672 QSLDCHMCEXYWGP-LSPINASFSA-N 381.520 3.953 50 40 GHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1 667148 CRJDUHXIENCKME-NRFANRHFSA-N 390.439 3.910 50 40 GHGB Cc1cc(OCC(=O)N/N=C/c2ccc(Br)o2)cc(C)c1Cl 903810 MZCIAPKQVZJIET-CNHKJKLMSA-N 385.645 3.841 50 40 GHGB COc1cc(C)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1C(C)C 8333778 HSWDFPOQBLTFAE-UFFVCSGVSA-N 386.521 3.776 50 40 GHGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccc(Br)cc1)C2 8336789 YUDAREBBHAWUFZ-ZVBGSRNCSA-N 386.293 3.532 50 40 GHGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)Nc1ccc(F)cc1 58882834 ZEJDGYAAZABZPR-OYKKKHCWSA-N 391.402 3.607 50 40 GHGB O=C(/C=C/NNC(=O)c1cccc(Cl)c1)c1ccc(Br)cc1 59488943 JUVQTXNPGRUAIO-CMDGGOBGSA-N 379.641 3.734 50 40 GHGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409382079 KYFKJELFCJSIIV-FOKLQQMPSA-N 397.818 3.860 50 40 GHGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 709831 CQTVQSKSHWGWCZ-QGZVFWFLSA-N 391.496 3.960 50 40 GHGB O=C(N/N=C/c1c(O)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1 1083272 AAGYRKOGAJKWNN-YZSQISJMSA-N 396.446 3.932 50 40 GHGB CN(NC(=O)CCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1 1470414 WKZFSMYBVYUCNB-SDXDJHTJSA-N 395.484 3.671 50 40 GHGB CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 2347548 MWAHWQTUANNCTD-AZZGVMCLSA-N 392.480 3.984 50 40 GHGB CCn1c(C)cc2c(c1=O)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 2348697 FWJYWPKXKJUPSM-CQSZACIVSA-N 376.243 3.702 50 40 GHGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OCC(C)C 4698622 DOBNWFIMNACWAD-YDZHTSKRSA-N 384.476 3.958 50 40 GHGB N#C/C(=C\c1cc(Br)c2c(c1)OCO2)c1nnc2n1CCCCC2 7159044 SRDNOBYIQHPORK-WUXMJOGZSA-N 387.237 3.560 50 40 GHGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccccc2F)o1 8020739 OWZUWVAXJDRRFC-SRZZPIQSSA-N 383.335 3.523 50 40 GHGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1 16478265 NWGBPCLASWEUOS-JTDSTZFVSA-N 384.361 3.875 50 40 GHGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1 26966381 ADVGPNYIHKXMSN-HMMYKYKNSA-N 398.466 3.614 50 40 GHGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 36145005 LTROVXXPMFKVHE-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCC(=O)OC 107565970 DSBKFHGNTUWRDU-YBEGLDIGSA-N 391.427 3.886 50 40 GHGB Cc1ccc(CC(=O)N/N=C\c2cccc(I)c2)c(C)c1 216045610 ZKGFHXCCGRXGAV-ODLFYWEKSA-N 392.240 3.601 50 40 GHGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c2ccccc21 408774412 WEXURVKRKRUHRW-BOPFTXTBSA-N 387.439 3.977 50 40 GHGB CCOC(=O)/C(C#N)=C\c1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409091163 PWQAUTKBZQBFIJ-WJDWOHSUSA-N 382.372 3.652 50 40 GHGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2OCC)[C@H](C#N)C(O)=N1 2292021 KRXRGLBHTVKRKC-KBXCAEBGSA-N 399.472 3.700 50 40 GHGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc(F)cc2)c(Br)c1 4534500 NYHVFAGYWRNOSC-RGVLZGJSSA-N 395.228 3.516 50 40 GHGB Cc1nc2scc(C)n2c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 7004428 CSMFIPKAXPBKGE-UFFVCSGVSA-N 384.505 3.839 50 40 GHGB COc1ccccc1[C@H]1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N 20238153 FVIPENOKJNMPCH-MRXNPFEDSA-N 381.457 3.503 50 40 GHGB CC(C)n1cc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccc(F)cc2)c2ccccc21 409153268 MLNHBQHQECTTHK-ZIFAQYRBSA-N 394.450 3.630 50 40 GHGB CCc1cccc(CC)c1NC(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1 72314626 ZPGWZJAOHKLZEX-PDGQHHTCSA-N 378.428 3.606 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1Br 4119612 XVACDUCMMARBND-KEBDBYFISA-N 391.265 3.604 50 40 GHGB C/C(=N\NC(=O)c1ccc(I)cc1)c1ccc(C)cc1 408711920 QPYRJHGCFYBTOK-LDADJPATSA-N 378.213 3.754 50 40 GHGB COc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C(=O)O)cc2)c1 409229660 SNHBZRYJUQQVSR-VBKFSLOCSA-N 387.395 3.730 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)c(OC(C)C)c1 409354794 BBZUHFUSWPMUNW-WYMPLXKRSA-N 387.455 3.962 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1O 408850789 RFLCQMUEHJNANE-WUXMJOGZSA-N 387.779 3.898 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OC 408964666 DBIQTSVZTMRLRA-LSHDLFTRSA-N 375.787 3.522 50 40 GHGB CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)cc1 83261143 IBGRBRJUUBPQQX-IWIPYMOSSA-N 389.455 3.712 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1 12362559 AYYOHQSLHBNSTI-HYARGMPZSA-N 382.851 3.747 50 40 GHGB CCc1ccccc1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 793978 ITNWYYFBTORIMT-YDZHTSKRSA-N 396.878 3.926 50 40 GHGB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)NNC(=O)C1CCCCC1 875689 MYHRLTBUEAADDF-UHFFFAOYSA-N 385.533 3.980 50 40 GHGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1O 2632665 JILOMYQMIFQZSC-IZZDOVSWSA-N 391.196 3.848 50 40 GHGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 3192170 XLCAGCRSJVLVEY-HYARGMPZSA-N 375.384 3.938 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1 6961833 KHEHSFPHRAIOLA-XKZIYDEJSA-N 392.415 3.775 50 40 GHGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12 13637250 IZVSJOKEMOEGPB-UHFFFAOYSA-N 383.622 3.640 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc2c1OCCO2 40139912 OGZWCAAHXOZDMD-AWNIVKPZSA-N 378.359 3.877 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CCc2ccccc2)cc1OCC 6959273 OUPNWNHHNGNKFR-HZHRSRAPSA-N 384.863 3.834 50 40 GHGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCCC(C)C 20786058 PNBIFQPWLXFZEJ-ZVHZXABRSA-N 383.492 3.991 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1 21548826 HUKQNWHFKUPILI-IFRROFPPSA-N 387.654 3.787 50 40 GHGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 59433861 UKAUOCSTJGKXII-HZHRSRAPSA-N 389.411 3.576 50 40 GHGB COc1cccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)c1O[C@H](C)C(=O)O 409220545 BGZZFACIQXLWHW-QJISPJEISA-N 394.427 3.710 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1O 6587656 YNIBWRWRPDYMEU-PKNJFHROSA-N 393.281 3.765 50 40 GHGB Cc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1 12275790 UWSXGFSBCXFLDZ-UWJYYQICSA-N 380.444 3.777 50 40 GHGB CC(=O)NNC(=O)CSc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1 7738617 LPMBDLMCPLQIOL-UHFFFAOYSA-N 394.500 3.620 50 40 GHGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 409363507 MBLPYTYDKPCHEJ-FOKLQQMPSA-N 397.818 3.860 50 40 GHGB Cc1cc(=O)oc2c(C)c(O)c(C[C@@H](Br)CBr)cc12 102480320 OXQGQPSBPWFKCD-SNVBAGLBSA-N 390.071 3.816 50 40 GHGB O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 708292 OAGJLSJSSYKLCM-SRZZPIQSSA-N 383.791 3.931 50 40 GHGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)c1 4525748 XSNBSPRMDFTSCP-UUYOSTAYSA-N 397.818 3.697 50 40 GHGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1O 4735371 DAJQFIODCVUGRO-DJKKODMXSA-N 397.656 3.510 50 40 GHGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(Br)c(O)cc1O 20195386 XGTZRWGLAWJHJY-UDWIEESQSA-N 391.265 3.560 50 40 GHGB NNC(=O)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 226319313 OUBOWPAZURRJOT-UHFFFAOYSA-N 390.064 3.938 50 40 GHGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1O 408756420 UYUXGGVBBSBMGO-JYRVWZFOSA-N 385.217 3.903 50 40 GHGB COc1ccc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc1Cl 408770781 AMROXTTXZCDNOE-SJNKJOBJSA-N 377.835 3.556 50 40 GHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(C(C)C)cc1 408909028 GCVAFWYQRYRCFP-VRMLFSPKSA-N 381.476 3.618 50 40 GHGB COc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1 100834637 FTKVMKFRVSKWPW-BVGQSLNGSA-N 380.282 3.793 50 40 GHGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCCSc1ccccc1 2663010 XKONKPSAQLNUMX-UHFFFAOYSA-N 378.881 3.682 50 40 GHGB Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58884679 ZZSGYHXFNLEXBT-IFRROFPPSA-N 389.786 3.818 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 18142540 MUHDGRAISUTDPG-WYMPLXKRSA-N 393.365 3.849 50 40 GHGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)O 39557336 RIHQHYCQMVHDNP-KTMXNEEYSA-N 381.215 3.609 50 40 GHGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1ccc(Cl)cc1 5720122 KGLAFFDNDBRUQP-KEBDBYFISA-N 394.880 3.608 50 40 GHGB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H](Cl)[C@@]2(O)C1 12656127 DNJABCBTMIQRHM-UKLRKDRTSA-N 382.928 3.862 50 40 GHGB C[C@H]1CCCC/C1=N/NC(=O)[C@@H](C)Nc1ccc(I)cc1 13882081 RMICOYUSLWBAOI-UDCYCAJLSA-N 399.276 3.774 50 40 GHGB COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(OC)c1C 8276430 WCBPZHFEPOWAIO-KEBDBYFISA-N 378.881 3.908 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)c1 6388843 NHJRYEIMWCJTOU-LPYMAVHISA-N 383.835 3.912 50 40 GHGB COc1ccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1 20348374 XUIZKQCLAQHVSV-LJQANCHMSA-N 391.496 3.910 50 40 GHGB CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)nc1C 952680 KLBAFVARMBROHD-XYOKQWHBSA-N 375.837 3.827 50 40 GHGB C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc(F)ccc1F 1085460 FDIDTRREEDQZQF-KTMXNEEYSA-N 383.192 3.645 50 40 GHGB O=C(N/N=C/c1ccc2ccccc2c1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1092073 JGQQFPJVFJZAMI-OEAKJJBVSA-N 399.410 3.757 50 40 GHGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc(OC)c2)sc2c1CCCC2 2708518 FFVOHMLKDGXRSU-UVTDQMKNSA-N 396.468 3.968 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OC(C)C)c(Cl)c2)n1 8336671 KDKDKNJIMTWOHM-AWQFTUOYSA-N 392.912 3.776 50 40 GHGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1Oc1ccccc1 24296066 SOXJRAVUOHUUAO-OAHLLOKOSA-N 394.402 3.847 50 40 GHGB N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccc(F)c(Cl)c1 96663316 SUMGLDPNWFYGPH-KMKOMSMNSA-N 389.726 3.662 50 40 GHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 408798737 WUQYMNJKOFBEIT-LFIBNONCSA-N 394.431 3.995 50 40 GHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccs2)cc1 408996613 JHNPXRFEUPECEJ-FYJGNVAPSA-N 379.441 3.773 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CCc2ccccc2)o1 409033212 NYQIHOXVBOJMNR-HYARGMPZSA-N 393.399 3.946 50 40 GHGB COc1cc2c(cc1OC)C1=C(C#N)CN(c3ccc(C)c(C)c3)CN1CC2 801725 NSBARCRRMLJQPJ-UHFFFAOYSA-N 375.472 3.891 50 40 GHGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccccc1O 100522912 NTDTTYHMHZTPIN-FOKLQQMPSA-N 379.338 3.546 50 40 GHGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(S)N1 13739382 ZXSUJHGMNYZUJL-SFHVURJKSA-N 392.440 3.859 50 40 GHGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(OCC)c2)cc1OC 409309047 ALMUWCLOGVHOOC-HAHDFKILSA-N 398.459 3.821 50 40 GHGB C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 409137163 VKXIIUYQJVCJOF-HZSPNIEDSA-N 389.546 3.609 50 40 GHGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(OC)c2)cc1OCC 409321204 FJTJHMSGYVROID-NHDPSOOVSA-N 392.839 3.616 50 40 GHGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1[N+](=O)[O-] 1502202 OWNMYKVQCHRNRS-HYARGMPZSA-N 375.384 3.938 50 40 GHGB Cc1c(C(=O)NNC(=O)Cc2nc3ccccc3[nH]2)oc2c1ccc1ccccc12 6967937 YLLGTNAIEPGJSY-UHFFFAOYSA-N 398.422 3.774 50 40 GHGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccco2)cc1 8116751 OQAMCGWQZAUXIB-UUYOSTAYSA-N 398.802 3.925 50 40 GHGB CCN(CC)C(=S)SC/C(=N\NC(=O)c1cccnc1)c1ccccc1 18192318 ZCWGKKVNLFQWFE-HEHNFIMWSA-N 386.546 3.576 50 40 GHGB Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914792 VXAAVKJNCMBYIU-UUYOSTAYSA-N 381.819 3.997 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 408799169 YBPFGANDKUHYPW-XNTDXEJSSA-N 384.819 3.828 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCC)cc1 408803367 OBPYBVHGRRYZGE-SFQUDFHCSA-N 394.427 3.816 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1 408998543 RGRJYPSLIVPFGD-DTQAZKPQSA-N 399.450 3.722 50 40 GHGB CCn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 2231421 PXGJWCZRGXKKBJ-OAHLLOKOSA-N 376.243 3.702 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 6281214 APHSAFPBFDMVRQ-BUVRLJJBSA-N 388.423 3.657 50 40 GHGB CCn1c(SCC(=O)N/N=C\c2ccccc2F)nnc1-c1ccc(C)cc1 30735516 SUKRSDVNZBMSLX-UUYOSTAYSA-N 397.479 3.655 50 40 GHGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccc(Br)c2)C(C#N)=C(N)O1 55142500 TVUBPUZEJDPMIV-OAHLLOKOSA-N 391.265 3.872 50 40 GHGB N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(-c2ccncc2)cs1 58202045 PZIYZWHPWMXYMO-ACAGNQJTSA-N 378.369 3.906 50 40 GHGB Cn1c(SCCCCl)nnc1-c1ccc(I)cc1 228931045 GXZJELVNDTWETN-UHFFFAOYSA-N 393.681 3.808 50 40 GHGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)sc(N)c1C#N 408729861 KGCVLCMQVYHFMP-WYMPLXKRSA-N 390.468 3.853 50 40 GHGB CCOc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(Cl)nc2c1 933844 FHOLTWJFDDUWGI-MRXNPFEDSA-N 381.823 3.537 50 40 GHGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1 12275700 ZXKZCHSBYPNYMP-XMSQKQJNSA-N 392.480 3.647 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1 4674943 BEYOMHUVOFDVBZ-LICLKQGHSA-N 390.399 3.819 50 40 GHGB CCc1sc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)cc1C 7387170 LJJRIKJFZPTDOF-UHFFFAOYSA-N 393.317 3.549 50 40 GHGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(Br)ccc1O 409143628 HRHSLMCBQHZOKS-DJKKODMXSA-N 397.656 3.971 50 40 GHGB CC(C)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Br 408605035 WNHQHOJSTNTYQE-KEBDBYFISA-N 376.254 3.643 50 40 GHGB O=C(N/N=C\c1cccc(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408903840 ACVCZRNBFRMSQT-NVMNQCDNSA-N 388.177 3.867 50 40 GHGB O=C(NNC(=O)c1ccc(Br)s1)c1cccc(C(F)(F)F)c1 7652741 MZLISUUDALZDCW-UHFFFAOYSA-N 393.184 3.604 50 40 GHGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3occc3C)cc2)cc1 12871878 SHAHHDNOKGPKTR-UHFFFAOYSA-N 394.427 3.641 50 40 GHGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1O 13986406 YFBORKYJZXGBDJ-VXLYETTFSA-N 397.656 3.727 50 40 GHGB COc1cccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1OC 59473637 HCZNGFQZMPFCQI-KEBDBYFISA-N 378.881 3.741 50 40 GHGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2oc(C)c(C)c2C#N)c1C 409372903 SHOFBESYFGREMV-WYMPLXKRSA-N 390.443 3.948 50 40 GHGB COc1ccc(CCNC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)cc1OC 1456692 XAZHXMMRSKCQCR-LGMDPLHJSA-N 389.455 3.759 50 40 GHGB Cc1ccc2occ(/C=N/NC(=O)c3ccc(OCC(C)C)cc3)c(=O)c2c1 2755621 WHCYMCQZGQOSJW-FOKLQQMPSA-N 378.428 3.900 50 40 GHGB C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NNC(=S)NC1CCCCC1 3145732 RLHALMFNXDHNKX-SNVBAGLBSA-N 389.352 3.622 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1O 4545152 QEAKZRGTEGJMAV-UFFVCSGVSA-N 384.775 3.768 50 40 GHGB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1cn(C)c2ccccc12 12539291 NKHLLFQHZVGMQW-AWEZNQCLSA-N 390.443 3.972 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)NCc2cccnc2)ccc1OCCC(C)C 27018723 GCAASUZPBODSDO-YBFXNURJSA-N 379.460 3.738 50 40 GHGB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O 408653282 FKTOSBCTLGSJCO-MRXNPFEDSA-N 382.416 3.678 50 40 GHGB C[C@]1(C(=O)N/N=C/c2ccc(O)cc2)NC2(CCCCC2)Cc2ccccc21 408734491 UMEXWJJXWQCTPR-OLCUMFGGSA-N 377.488 3.606 50 40 GHGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C 408992877 TZOHCAKWVYKLMI-OYKKKHCWSA-N 389.455 3.794 50 40 GHGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)o1 409220968 IQRPBJJIMYIFPE-UUYOSTAYSA-N 397.362 3.695 50 40 GHGB N#C/C(=C/c1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)NCCCc1ccccc1 409227096 OSQGMQZMHWIJAH-DHDCSXOGSA-N 385.807 3.610 50 40 GHGB O=C(NCc1ccc(-n2cccn2)cc1)NNc1ccc(OC(F)(F)F)cc1 46900510 IDJUZFLRVXLLHB-UHFFFAOYSA-N 391.353 3.597 50 40 GHGB CCOc1ccc(C(=O)N/N=C(/C)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 5475436 DOVQEIRNXMPPIU-MSXFZWOLSA-N 393.365 3.740 50 40 GHGB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2ncccc2c1 15974695 ZDNRVWRQTZBKBP-PIOHVVRHSA-N 384.480 3.624 50 40 GHGB CC(C)COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 408775570 ISNBKCPRIQJMDY-PGMHBOJBSA-N 389.499 3.977 50 40 GHGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2 44028779 GWCHYIUTEHPHFS-MLPAPPSSSA-N 386.201 3.976 50 40 GHGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1O 647657 FGXJCJBZNIWMHI-FQEVSTJZSA-N 388.427 3.503 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 942023 TXCDZICBWXZKTM-LQELWAHVSA-N 395.484 3.526 50 40 GHGB C/C(=N\NC(=O)c1cc2c(s1)CCCC2)[C@H](c1ccccc1)N1CCOCC1 23424365 HVWUKGULABHWNJ-BQNPTPDXSA-N 397.544 3.806 50 40 GHGB CSc1nc(NNC(=O)Cc2ccccc2)c2c3c(sc2n1)CCCC3 5527682 LCHQMCXLKZAFGL-UHFFFAOYSA-N 384.530 3.978 50 40 GHGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccccc2C#N)cc1 3166368 GEHIYXGCZIQNPO-LFVJCYFKSA-N 378.476 3.714 50 40 GHGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c(O)c1 843346 HYMFXHXQJFXLPP-SSDVNMTOSA-N 383.835 3.923 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 6346780 TYVIIXRKRNGPAI-YDZHTSKRSA-N 387.468 3.947 50 40 GHGB N#C/C(C(=O)CSc1nnc2n1CCCCC2)=C1\Nc2ccccc2S1 102597503 RVTSBAKAUHHXNF-ATVHPVEESA-N 383.502 3.619 50 40 GHGB C[C@H]1CCC/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 33044126 LXJIYQJMKVEMOC-NIGUIEARSA-N 391.518 3.845 50 40 GHGB Cc1ccc2cc(/C=N/NC(=O)CCNC(=O)OC(C)(C)C)c(Cl)nc2c1 2234030 ADQPHAYTXGFIJS-SSDVNMTOSA-N 390.871 3.562 50 40 GHGB C[C@H](Cl)C(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3064130 YNHPRELOCKLMDE-UTSGGKDNSA-N 377.227 3.761 50 40 GHGB N#CC(C(=O)COC(=O)c1cc(Cl)ccc1Cl)=C1Nc2ccccc2N1 3271642 PXHBMLZQTYYLNQ-UHFFFAOYSA-N 388.210 3.992 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)CSCc1ccccc1 5360894 CNJUAMRDYKMVAG-VXLYETTFSA-N 393.306 3.841 50 40 GHGB Cc1cc(C)n(CC(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)n1 6408305 SFTAKSVLDMYSHO-DJKKODMXSA-N 388.884 3.504 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1 6961829 FWQGKRYNZUZPAK-XKZIYDEJSA-N 392.415 3.775 50 40 GHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 7913221 BTQMRWNNJKMHKQ-CIAFOILYSA-N 398.806 3.568 50 40 GHGB CN(C)c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1Br 20215749 RVQUMELZVIBXNT-GXDHUFHOSA-N 376.298 3.871 50 40 GHGB Cc1ccc(COc2c(Cl)cc(CCC(=O)NN)cc2Br)cc1 226342105 GRBBWXHTPNGJGS-UHFFFAOYSA-N 397.700 3.912 50 40 GHGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCC(=O)O 408580502 BZIQEQUSKNIMSD-CXUHLZMHSA-N 383.400 3.630 50 40 GHGB Cc1cc(NC(=O)N/N=C\c2ccc(C(=O)O)cc2)ccc1Br 408903996 CDHQWXLSQQMBCG-NVMNQCDNSA-N 376.210 3.611 50 40 GHGB O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1ccc(Cl)cc1Cl 2314589 HYUMYJDXPGHIHM-UHFFFAOYSA-N 399.241 3.879 50 40 GHGB C=CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21 2502653 XSQQRTAAQURVPE-SFHVURJKSA-N 399.244 3.938 50 40 GHGB Cc1occc1C(=O)NNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 29755134 KWZOTYKFTRLZBM-UHFFFAOYSA-N 383.351 3.600 50 40 GHGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccccc1O 20248175 CCDWSCRGTLTCBJ-GIJQJNRQSA-N 379.279 3.538 50 40 GHGB O=C(N/N=C/c1cccc(I)c1)c1ccccc1Cl 408592373 XXFSXVLYIMVZLS-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(C)cc1C 216039074 JXTNVHGQGXIMCE-XKZIYDEJSA-N 399.288 3.771 50 40 GHGB CC1=C[C@]2(Nc3cc(C(C)(C)C)cc(Br)c3O2)C(C#N)=C(N)O1 40546382 ZGMVQPCRNVYWRY-QGZVFWFLSA-N 376.254 3.875 50 40 GHGB C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 2209355 APYUUGQYPYGBLE-HZDTVXMRSA-N 397.887 3.860 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 5879918 NATAFXUXIYGJKB-GZTJUZNOSA-N 386.407 3.800 50 40 GHGB O=C(N/N=C/c1c(O)ccc2ccccc12)C1(O)c2ccccc2-c2ccccc21 1510149 TYQTXQVJZUSPSL-CVKSISIWSA-N 394.430 3.912 50 40 GHGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)c(C#N)c1C 6329171 IBKSACZFKQXLDJ-BHGWPJFGSA-N 375.432 3.522 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1csc(C)n1 7234098 NXBIGLFJXCJMGI-UFFVCSGVSA-N 397.456 3.509 50 40 GHGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccsc2)C(C#N)=C(N)O3)cc1OC 5461954 GRWZMPPSWAZCGA-INIZCTEOSA-N 394.456 3.764 50 40 GHGB CCOc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)C(F)(F)F)c2)cc1 6048019 VMRLVQKERMAMNV-MSXFZWOLSA-N 393.365 3.740 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929466 VTXDVADQUDAXAA-JTQLQIEISA-N 395.198 3.860 50 40 GHGB CCCOc1ccccc1/C=N/NC(=O)Cc1ccc(Br)cc1 9204078 DSMPEUIOWGQUPE-DEDYPNTBSA-N 375.266 3.931 50 40 GHGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)O 39557335 RIHQHYCQMVHDNP-YPZZKDGISA-N 381.215 3.609 50 40 GHGB Cc1ccc(NS(=O)(=O)c2ccc(OCCBr)cc2)cc1F 95992731 BCCUBEATTCYMGO-UHFFFAOYSA-N 388.258 3.709 50 40 GHGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OC 408724768 HKOYTJOGCYSHAZ-ULBYWEGOSA-N 395.297 3.743 50 40 GHGB CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408751900 AFEQKXQRQBGCAI-DJKKODMXSA-N 395.640 3.792 50 40 GHGB COc1ccc2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)nc2c1 408833845 VQJMWIFDCFZRPV-KEBDBYFISA-N 384.779 3.569 50 40 GHGB Cc1ccc(NC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)c(C)c1 408842835 CBJWDBLKPAHQDY-UKWGHVSLSA-N 375.812 3.576 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408997403 OGRFHDRFVQQWOL-UFFVCSGVSA-N 385.807 3.803 50 40 GHGB CC1=C(C#N)[C@H](c2cc(F)ccc2F)C(C(=O)OCc2ccccc2)=C(N)O1 1073652 MMHCLBYZJSWRJD-SFHVURJKSA-N 382.366 3.790 50 40 GHGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1nc2ccccc2[nH]1 408853162 YWBAGTUDLOWCES-XFXZXTDPSA-N 399.248 3.819 50 40 GHGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)ccc1OC 409314439 GEFKQSQWFGVLJO-UKWGHVSLSA-N 383.231 3.870 50 40 GHGB CCc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 4189740 CATGCNMFPNFIGA-GOSISDBHSA-N 391.496 3.960 50 40 GHGB COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C(=O)[C@@H](Br)[C@@H]12 5063077 VXNUYSOLTINORZ-SKWUIDRYSA-N 395.293 3.892 50 40 GHGB COc1cccc(-c2[nH]nc3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)c1 5248478 YEHZRXYRTTVRTP-INIZCTEOSA-N 378.819 3.957 50 40 GHGB C/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1c(O)cc(C)oc1=O 6450447 BFRGXKVERXMKRX-KEBDBYFISA-N 390.848 3.984 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(OC)c2)cc1 408746783 VQLDQRHUURPVCT-ZROIWOOFSA-N 397.818 3.805 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cn1 1814022 XCDVTKABSWMISW-UFFVCSGVSA-N 384.779 3.976 50 40 GHGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1 1471898 ROMFXAWGKGGYNF-NRFANRHFSA-N 383.451 3.732 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1[N+](=O)[O-] 409370799 UIBGATMMCFXMRD-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Cl)c1 408755776 WEXGOWSBIZQTSY-DJKKODMXSA-N 395.640 3.792 50 40 GHGB C[C@H]1CCC[C@H](C)N1CCC(=O)NNC(=S)Nc1cccc2ccccc12 5894276 MSAHAUMVTDPFJF-HOTGVXAUSA-N 384.549 3.810 50 40 GHGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc2ccccc2o1 8348861 PAYQCFHFIQWERG-UHFFFAOYSA-N 386.407 3.940 50 40 GHGB Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408844619 KNRQJDIZLJWVJM-FBHDLOMBSA-N 385.807 3.803 50 40 GHGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)cc1 409137618 WHVNWWQRXIORNE-HNNXBMFYSA-N 381.457 3.553 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H](O)c1ccccc1 409149539 JEZPEMJZLAVYRW-NIQDBXHUSA-N 399.790 3.692 50 40 GHGB O=C1CN(C(=O)CCl)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 256028169 XKIGQQMGIADSDH-KRWDZBQOSA-N 393.668 3.558 50 40 GHGB Cn1cc(Br)c(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)n1 1089327 KGYZTDYQNSZOGO-RGVLZGJSSA-N 399.248 3.739 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(F)c(Cl)c1 13424454 YHMNQXDHBQRCPR-YBEGLDIGSA-N 387.842 3.652 50 40 GHGB COC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 871389 XHAKNBHQEAVQAM-UHFFFAOYSA-N 394.880 3.890 50 40 GHGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cn[nH]c1-c1ccccc1 4870501 SGKLPEIUZFXMIT-KEBDBYFISA-N 393.497 3.929 50 40 GHGB COc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 5513830 LBUSYWOWEYZUPJ-BUVRLJJBSA-N 390.439 3.803 50 40 GHGB CCN1C(=O)/C(=N\NC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21 6007286 KBOZITNWIMXWFA-QNGOZBTKSA-N 377.231 3.886 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 9355268 NHSQSCXIQBYLCR-UFWORHAWSA-N 382.203 3.739 50 40 GHGB CCCC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C(/C#N)CCCC(=O)O)C[C@@H]21 11686514 OJIGXQJDLFUVFM-AGCJUELTSA-N 391.508 3.548 50 40 GHGB in-man O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1ccc(Cl)cc1 18192932 FHIWJGMNOULCKM-ZMOGYAJESA-N 389.846 3.902 50 40 GHGB CCN(CC)c1ncc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)s1 21187830 SZIHDHNFINJILN-LPYMAVHISA-N 388.537 3.816 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 33932097 MNCJUXXRKHTSPH-WQRHYEAKSA-N 389.411 3.609 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1 408591531 UQZPQSQTJLBMFY-FOKLQQMPSA-N 379.391 3.726 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)o2)cc1 409241505 XYDLBZWJSGTCCQ-QRVIBDJDSA-N 380.375 3.565 50 40 GHGB N#Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 2134267 AWRPTUPJBNLORN-SSDVNMTOSA-N 389.242 3.734 50 40 GHGB CCc1ccc(OCC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)cc1 2532772 XAUUAILCAMBETA-UHFFFAOYSA-N 398.315 3.952 50 40 GHGB O=C(CCSSCCC(=O)NCc1ccccc1)NCc1ccccc1 4001913 WDYNEKRHRSXPNT-UHFFFAOYSA-N 388.558 3.781 50 40 GHGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 4082836 QFKXRUCPIJZQKT-KRWDZBQOSA-N 375.457 3.624 50 40 GHGB CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@H]2C1 5408650 MMCLSZOTVXTBKG-DAESXHAQSA-N 388.471 3.934 50 40 GHGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 33410119 PSWPBEZERNABBJ-MLPAPPSSSA-N 377.227 3.973 50 40 GHGB COc1cccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1O 59417777 GUNPRQRWGANKBS-DJKKODMXSA-N 389.205 3.673 50 40 GHGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1cc([N+](=O)[O-])ccc1O 83327027 KXCVMUWASGDOSO-JMIUGGIZSA-N 385.763 3.978 50 40 GHGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(I)c1 188048420 JZVNMFGATMFKFS-XYOKQWHBSA-N 390.180 3.542 50 40 GHGB O=C(NNc1c(F)cccc1Cl)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1538987328 XKFQNGMDOICWDX-CQSZACIVSA-N 391.830 3.581 50 40 GHGB O=C(CBr)[C@@H](Br)[C@H](Br)c1ccccc1 1555437 ZCLSLWPGIJDTTO-NXEZZACHSA-N 384.893 3.850 50 40 GHGB C[C@@H](Br)CN(C[C@@H](C)Br)c1cccc(C(=O)O)c1 1763039 PATGZEROBABVTJ-NXEZZACHSA-N 379.092 3.758 50 40 GHGB C/C(CC(=O)Nc1cccc(C)n1)=N\NC(=O)c1ccc(Cl)c(Cl)c1 5589873 BCOOSWOEPNKRLR-SSDVNMTOSA-N 379.247 3.831 50 40 GHGB CCCOc1cc(OC)ccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 5793601 UCDJQXBCWMPAOG-LJQANCHMSA-N 382.460 3.935 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCC)c2)cc1 6614532 SGHOJHNSFUIGML-SFQUDFHCSA-N 394.427 3.816 50 40 GHGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 15227560 IVOZZWHZPGBGRX-QRVIBDJDSA-N 375.428 3.865 50 40 GHGB Cn1cc(/C=N/NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c2ccccc21 57476881 WZZXLEJBCXTIKX-XUHCNCODSA-N 385.423 3.622 50 40 GHGB C/C(=N\NC(=O)c1sc(N2CCOCC2)nc1C)c1cccc2ccccc12 57644773 VQPBIPCIPCIZOJ-OEAKJJBVSA-N 394.500 3.595 50 40 GHGB N#C/C(=C\c1cnn(CCCl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 96316205 IQAISMRIKYFSMU-LFYBBSHMSA-N 390.679 3.767 50 40 GHGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c2ccccc21 408772425 LOOPYKHUGBITGV-BOPFTXTBSA-N 387.439 3.977 50 40 GHGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl 409106774 OZHFSLFGQWMAAA-NKVSQWTQSA-N 385.729 3.960 50 40 GHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1c(O)ccc2ccccc12 716830 RSLKCPJMFFKVSP-SRZZPIQSSA-N 377.425 3.929 50 40 GHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(OC)c2)c1C 3302775 JXVDZIZVOJRPHW-WOJGMQOQSA-N 395.459 3.612 50 40 GHGB CC[C@H](C)OC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@@H](Cl)[C@H]1Cl 245239807 MJYKXJUWZQBIAC-JJWQEOOBSA-N 377.655 3.537 50 40 GHGB COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408798875 XACNMVWDVXXCEY-OQLLNIDSSA-N 384.819 3.746 50 40 GHGB Cc1cc(NC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)ccc1Br 408905290 WRVBWUGQXDZOOU-IUXPMGMMSA-N 393.197 3.527 50 40 GHGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(C)cc2)c(OC)c1 956471 KMDINLJBSQPUAG-OGVNVZGISA-N 377.396 3.702 50 40 GHGB Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 1433563 HGCDCDXKCVMPPU-WSDLNYQXSA-N 378.388 3.725 50 40 GHGB O=C(O)COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Cl 4509001 UVDJLLHXFYHXKX-FSJBWODESA-N 396.830 3.649 50 40 GHGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H](O)c1ccccc1 4937342 GIKVDVNBURPYIT-NIQDBXHUSA-N 399.790 3.692 50 40 GHGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1 5444935 CZAAZORRYSKJGT-SFHVURJKSA-N 386.411 3.586 50 40 GHGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1 16478271 NWGBPCLASWEUOS-GPMSIDNRSA-N 384.361 3.875 50 40 GHGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(Cl)ccc2OC)cc1 17078620 CMHHISQCCZBSNG-JJFYIABZSA-N 384.823 3.511 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1Cl 59334468 LKNQGWIZWAMZFQ-DHDCSXOGSA-N 385.851 3.529 50 40 GHGB CC(C)(C)OC(=O)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 97998308 WWRXFCCIIXDOKM-WINQIOIRSA-N 383.492 3.961 50 40 GHGB O=C(/C=C(\O)C(=O)N(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 100671474 FTBMWBZFTLVYRG-PGMHBOJBSA-N 386.407 3.689 50 40 GHGB CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(OCC)c1 408815349 JELAOMRLQGSXHG-PDGQHHTCSA-N 380.444 3.716 50 40 GHGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 408841295 FGFCCVSXSNYGHN-SQTMOLFMSA-N 385.423 3.808 50 40 GHGB CCOc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC)cc2c1 925162 GCDZBZJVONQYAR-QGZVFWFLSA-N 399.834 3.542 50 40 GHGB Cc1cccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 6928952 DZJNZYTYMUUUHE-MFKUBSTISA-N 396.450 3.517 50 40 GHGB BrCc1c(Br)cccc1I 97436569 LUUACGYKFNXCSS-UHFFFAOYSA-N 375.829 3.949 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 211620046 UWROUJCECPFZKI-YVLHZVERSA-N 395.415 3.614 50 40 GHGB COC(=O)[C@H](Cl)[C@@H](Cl)c1cccc([C@@H](Cl)[C@@H](Cl)C(=O)OC)c1 226333569 MXRXXKSKCXFTAW-WRWGMCAJSA-N 388.074 3.807 50 40 GHGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409266068 OIKBYQUHKBBXBU-AMLNBPPMSA-N 394.233 3.636 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)cc1 1009089 FOPWLTXRPLTGAU-YSURURNPSA-N 398.356 3.876 50 40 GHGB CCCc1ccc(OCC(=O)N/N=C/c2ccccc2Br)cc1 2756966 YPUMDSFSSDYRNN-UDWIEESQSA-N 375.266 3.931 50 40 GHGB CCCc1n[nH]c2c1[C@@H](c1c(C)nn(-c3ccccc3)c1Cl)C(C#N)=C(N)O2 4592576 URURHPPMVQFUJU-MRXNPFEDSA-N 394.866 3.728 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc2c(cc1Cl)OCO2 4735286 IFBLATVBBLQTNG-UFWORHAWSA-N 395.640 3.524 50 40 GHGB C[C@@]1(C(=O)[C@H](Br)[C@H](Br)c2cccc(Cl)c2)CO1 4940147 ZJAADAJXBRJTHI-FOGDFJRCSA-N 382.479 3.898 50 40 GHGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(C(=O)OCC)cc2s1 20132748 BBUJDVOANMOHRH-SNVBAGLBSA-N 385.283 3.975 50 40 GHGB Cc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C 33716239 ZMHMFJSLZQMFMH-HMAPJEAMSA-N 376.416 3.695 50 40 GHGB Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccccc2Cl)cc1 36652402 GSPUTSMFMZQVEQ-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB N#CC(C#N)=C(N1CCCCC1)[C@]1(C#N)[C@H](c2ccccc2Cl)C1(C#N)C#N 66089435 WHRPAZDALPKPAO-NQIIRXRSSA-N 386.846 3.768 50 40 GHGB COc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(Br)c1OC 408861431 AIQNUNOZWYNSJY-UORBOEOWSA-N 389.249 3.630 50 40 GHGB COc1cccc(/C=N/N(CCC#N)C(=O)c2cc3ccccc3o2)c1OC 524734665 AEQLGEUFACXIDZ-OEAKJJBVSA-N 377.400 3.840 50 40 GHGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1OC 4631444 CFUWPEOMMUOBDE-INIZCTEOSA-N 382.464 3.723 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 5157845 RZUXAJKATDONJU-SFHVURJKSA-N 388.427 3.702 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Br)c1O 15229591 VRZVEQLENBSLLH-KPKJPENVSA-N 379.254 3.519 50 40 GHGB N#C/C(=C\Nc1ccc(I)cc1)C(=O)Nc1ccccc1 57414027 YJOSUVXCLXILNR-VAWYXSNFSA-N 389.196 3.749 50 40 GHGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)cc1 193794585 MSBRJHZDJJZEHQ-WQRHYEAKSA-N 380.444 3.714 50 40 GHGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408805627 BCYJTGCDYLUFPW-SFQUDFHCSA-N 394.427 3.816 50 40 GHGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3s2)cc1 1306752 UXBMLVZTDHWAEW-MTJSOVHGSA-N 399.497 3.854 50 40 GHGB COc1cc(C(=O)NNc2nc3c(Cl)cccc3s2)cc(OC)c1OC 4121358 LLZZDPMZEFDUSM-UHFFFAOYSA-N 393.852 3.732 50 40 GHGB CC(=O)Nc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 6210192 VRVISTWUPUDRDL-GXDHUFHOSA-N 390.468 3.886 50 40 GHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OC)c(C)c1OC 6279956 ASSLUUKONIXADB-YDZHTSKRSA-N 378.428 3.938 50 40 GHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 8209963 DUQMZSMQVPIIDL-CIAFOILYSA-N 379.372 3.529 50 40 GHGB CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 101145017 BISMOTWGZHLDBW-UDPFGDFPSA-N 396.830 3.573 50 40 GHGB N#C/C(=C/c1ccccc1O)C(=O)Nc1ccc(I)cc1 208466526 KMOAIJXUZSVSMK-XFXZXTDPSA-N 390.180 3.542 50 40 GHGB CC(=O)O[C@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br 1628445 KTWIGALCELBUBD-QTTZVWFDSA-N 380.032 3.565 50 40 GHGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(I)cc1 10118470 YMRIQUAGGHFNIY-VXLYETTFSA-N 389.196 3.536 50 40 GHGB O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1 15435304 HYMGLRMCNPTLET-UHFFFAOYSA-N 376.481 3.970 50 40 GHGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3c(Cl)cccc3Cl)CC2=O)cc1 409263390 JADJPIKLDHRLNJ-IGHSGZQOSA-N 390.270 3.805 50 40 GHGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2ccccc2)o1 408993707 FCIAIPVLYZUNQR-NDENLUEZSA-N 397.412 3.868 50 40 GHGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1ccco1 409141804 KCOZGVRCCKFNGB-ZDUSSCGKSA-N 387.848 3.644 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)cc2c1 409187370 PPDGPYMNEHUQLQ-UUYOSTAYSA-N 398.415 3.621 50 40 GHGB C[C@@H](Cl)C(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3064133 YNHPRELOCKLMDE-CSQSHRMHSA-N 377.227 3.761 50 40 GHGB C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(F)c1 14675401 WKGUKPYVYRWOIP-BVTUPMQUSA-N 384.382 3.752 50 40 GHGB CCn1c(SCC(=O)N/N=C\c2ccccc2C)nnc1-c1ccc(C)cc1 30742802 NDOAVMCSYPXBQZ-XKZIYDEJSA-N 393.516 3.824 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@@H]2c2ccccc2)cc1 33533981 AZKBPNMWXBROEO-TZLVOWRPSA-N 388.423 3.727 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 36144821 ICUAJXFYVMSBMR-NVMNQCDNSA-N 396.628 3.704 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1 59382513 SDQFJSIELSOMJK-YBFXNURJSA-N 377.238 3.620 50 40 GHGB COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccccc3)c2C)cc1 408774000 NRJAYFZIEPFUAY-UCQKPKSFSA-N 377.444 3.632 50 40 GHGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1cc2ccccc2cc1O 408859883 UQYMZJVMVVDYNS-SSDVNMTOSA-N 378.453 3.804 50 40 GHGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1 408968538 WWPHWRNGEZMBBN-BHGWPJFGSA-N 391.358 3.728 50 40 GHGB COC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(C)c(Cl)c1 408994712 ZSYQUDOIGRXOAO-DHDCSXOGSA-N 384.819 3.746 50 40 GHGB C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1cccc(Br)c1 1027576 OYPMZWCNJDQGSW-XSFVSMFZSA-N 375.266 3.985 50 40 GHGB CC[C@@H]1C(C#N)=C(S[C@@H](C(N)=O)c2ccccc2)NC2=C1C(=O)CC(C)(C)C2 2275208 QVCRVHJDEHAJKJ-AUUYWEPGSA-N 395.528 3.954 50 40 GHGB N#C/C(=C\c1cccs1)C(=O)Nc1cccc(I)c1 2805740 KWDRLUBUVQVRNZ-JXMROGBWSA-N 380.210 3.898 50 40 GHGB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)NNC(=O)c1ccco1 4849439 IKVNELPXAYKYLK-UHFFFAOYSA-N 383.473 3.560 50 40 GHGB C/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1 15133700 JOXLHIAAUIAFGI-ZVHZXABRSA-N 379.847 3.763 50 40 GHGB C/C(=N/NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1O 100921072 CUKJVQRWQSAZFV-JAIQZWGSSA-N 399.248 3.699 50 40 GHGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cc(OC)ccc1F 659948 ZJPOLBDRFSLCKF-GOSISDBHSA-N 394.402 3.616 50 40 GHGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)O[n+]1ccccc1 822690 BZXPJDIDXZJWMC-NTCAYCPXSA-N 396.220 3.559 50 40 GHGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Cl 2502503 KRBPOVPBEKRSEU-IBGZPJMESA-N 382.803 3.852 50 40 GHGB CCC[C@H](C(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1 2638589 SVRQYDJKOLVTAD-INIZCTEOSA-N 375.266 3.794 50 40 GHGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 5515453 VSDHTWHNBCGUGL-DQAKUKQTSA-N 376.865 3.896 50 40 GHGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1cc(Cl)ccc1Cl 6603029 SWHOCAFJQUIIKU-UHFFFAOYSA-N 394.283 3.997 50 40 GHGB COc1ccc(Cl)cc1NC(=O)NNC(=S)Nc1ccc(F)cc1F 17079000 SQMDSUMMECYEKA-UHFFFAOYSA-N 386.811 3.650 50 40 GHGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)cc1 408599869 NHGLYOFQCZFQNQ-AFUMVMLFSA-N 390.487 3.578 50 40 GHGB O=C(NN[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(O)cc1 408734482 UJUVVPGJJBPJFW-IBGZPJMESA-N 395.846 3.660 50 40 GHGB O=C(NNC(=O)c1cccs1)c1ccc(-c2ccc(Br)cc2)o1 12843184 RALAQTMYSGQJAE-UHFFFAOYSA-N 391.246 3.845 50 40 GHGB O=C([C@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1)N1CCCCC1 15473759 SXJUMOZVXRUABI-ZNKOEICNSA-N 395.547 3.577 50 40 GHGB CCn1c(SCC(=O)N/N=C\c2cccc(F)c2)nnc1-c1ccc(C)cc1 30743192 ACQGJQGEGQPUSN-UUYOSTAYSA-N 397.479 3.655 50 40 GHGB O=C(Br)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671171 VGIQWXOXDRXVKV-REOHCLBHSA-N 392.946 3.943 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1 408722669 BVICKNHUKYKKMA-UFFVCSGVSA-N 393.355 3.656 50 40 GHGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 408791619 ZRYORSHCHKJRQX-UKTHLTGXSA-N 398.216 3.603 50 40 GHGB COc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1OCC(C)C 408916224 WFIRSZPOXGTGRF-FSJBWODESA-N 384.476 3.876 50 40 GHGB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)CCl)c1 5107059 BBNZRXNZLCATEO-UHFFFAOYSA-N 388.807 3.880 50 40 GHGB CCn1cc(/C=N/NC(=O)[C@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)cn1 6412753 GSOTWKXBFQYQBR-BWYWKRLTSA-N 392.507 3.840 50 40 GHGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(c1ccccc1)c1ccccc1 9910659 JFLZHUXKKXOQET-UHFFFAOYSA-N 383.451 3.690 50 40 GHGB Cc1ccc([C@@H]2CC(=O)N3CN(Cc4cccnc4)CSC3=C2C#N)cc1 20347948 BTIQIPOCXNKMHA-SFHVURJKSA-N 376.485 3.605 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(=O)O)c2)cc1 34702767 ZZXJSCVRIIKZBW-SSZFMOIBSA-N 387.395 3.730 50 40 GHGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1O[C@H](C)C(=O)O 409233238 DUYGIPSKZWPKIC-QJISPJEISA-N 394.427 3.710 50 40 GHGB COc1c(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cccc1[N+](=O)[O-] 1052507 SHOWTNNHAOWAFI-SRZZPIQSSA-N 385.420 3.564 50 40 GHGB CC1=C(Cl)/C(=N/S(=O)(=O)c2ccccc2)[C@@H](Cl)[C@@](C)(Cl)C1=O 4167619 WXAAULWIYQPXCK-SEDDXWAVSA-N 380.680 3.517 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1OC 8102856 SJTZWYBWNRJUBW-OEAKJJBVSA-N 377.444 3.875 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1 8812156 YHJVGFYQUHBQOJ-SRZZPIQSSA-N 383.335 3.766 50 40 GHGB CN1C(=C(C#N)C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])N(C)c2ccccc21 12539320 KZMAAXJQSKNJQG-UHFFFAOYSA-N 398.806 3.517 50 40 GHGB N#C/C(=C/c1ccccc1O)C(=O)Nc1ccccc1I 33282884 UHTMDCGSLYTNBJ-XFXZXTDPSA-N 390.180 3.542 50 40 GHGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@H]32)cc1 33936207 APQRTCMDMWQSJX-IFMALSPDSA-N 385.515 3.944 50 40 GHGB O=C(CCCC[C@@H]1CCSS1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 85879577 VVHRIXRHAIKLOI-OWCLPIDISA-N 378.563 3.508 50 40 GHGB biogenic CCOc1cc(C(=O)N/N=C2/CCc3ccccc32)cc(OCC)c1OCC 96696484 KJRDFPFPPDECKB-NKFKGCMQSA-N 382.460 3.963 50 40 GHGB CCOc1ccccc1OCC(=O)N/N=C(\C)c1ccc2ccccc2c1O 102976787 SUQKKIOGKZYKQS-HZHRSRAPSA-N 378.428 3.863 50 40 GHGB O=C(CCCC[C@@H]1CCSS1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217566958 VVHRIXRHAIKLOI-ARFHVFGLSA-N 378.563 3.508 50 40 GHGB CCn1c(C)c(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c2cc(C)ccc21 409045173 HXACOFAOMGQDOM-JJFYIABZSA-N 395.532 3.927 50 40 GHGB COc1cc(Cl)cc(/C=N/NC(=O)c2cccc(Br)c2)c1O 994353 JEJOQIAJIVIGMU-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O 1080066 BOXGOOZURDYLMM-MRXNPFEDSA-N 377.275 3.570 50 40 GHGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2 6948902 RJVLJGIDTLCZIV-LFYBBSHMSA-N 385.763 3.831 50 40 GHGB C[C@]1(C(=O)[C@H](Br)[C@@H](Br)c2cccc(Cl)c2)CO1 102699646 ZJAADAJXBRJTHI-HOSYDEDBSA-N 382.479 3.898 50 40 GHGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 408527117 LBWRIDCOAOEVMI-MFKUBSTISA-N 385.423 3.666 50 40 GHGB O=C(CBr)Nc1ccc([N+](=O)[O-])cc1C(=O)c1cccc(Cl)c1 4834001 AMWOPARHTJNEHK-UHFFFAOYSA-N 397.612 3.813 50 40 GHGB N#C[C@@H](C(=O)N/N=C/c1ccc(OCCOc2ccccc2)cc1)c1ccccc1 409206709 VZRYLSHODBIKSU-ZCBHOAFYSA-N 399.450 3.902 50 40 GHGB COc1ccc(CSCC(=O)N/N=C/c2ccc(N3CCCCC3)o2)cc1 408990361 KULQFBBOVZMZQL-FYJGNVAPSA-N 387.505 3.662 50 40 GHGB CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)c3ccccc3N)c2c1 409006996 MAVRZNWWNXGMEL-OYKKKHCWSA-N 377.444 3.983 50 40 GHGB Cc1ccc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)cc1 1081900 HJOZLHZXZWFFNN-CIAFOILYSA-N 397.276 3.766 50 40 GHGB CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 3175776 BQEWONCFFUWGMW-KHDGVMNXSA-N 376.412 3.817 50 40 GHGB CC/C(=N\NC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 15931090 ISESXWZOVIDQMY-OQKWZONESA-N 382.420 3.552 50 40 GHGB O=C(C1=C(O)C(=O)N(CCBr)[C@H]1c1ccccc1)c1ccccc1 6446702 SLCNYKVKGRVBER-INIZCTEOSA-N 386.245 3.660 50 40 GHGB C=CCn1c(SCC(=O)/C(C#N)=C(/C)N)nnc1-c1ccc(C(C)(C)C)cc1 104776005 FSOCGSPAIPTBEC-VKAVYKQESA-N 395.532 3.846 50 40 GHGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1 409147145 UZACBLPOLGZSLW-CQSZACIVSA-N 381.457 3.607 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1ccc(C(=O)O)cc1 409204015 BKNQUWZCHLLNSE-CIAFOILYSA-N 381.457 3.547 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Cl 408967524 QRLRDPRKWFDPCD-AUEPDCJTSA-N 390.201 3.780 50 40 GHGB CCOc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc1Cl 408781868 CNEYXASQIVJSET-NESUPFIGSA-N 391.862 3.946 50 40 GHGB CCOc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)ccc1O 59473551 ALVZYPCQYVQDHX-KEBDBYFISA-N 378.881 3.828 50 40 GHGB CCSc1nc(NNC(=O)C2CC2)c2c3c(sc2n1)COC(C)(C)C3 2407309 LKJBCMBQKXNCNG-UHFFFAOYSA-N 378.523 3.508 50 40 GHGB CSc1nc(NNC(=O)CC(C)C)c2c3c(sc2n1)COC(C)(C)C3 2424104 BXFNYGQLHKMLPM-UHFFFAOYSA-N 380.539 3.754 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408667140 QHGFZXNDOWRZDY-HNNXBMFYSA-N 376.368 3.707 50 40 GHGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1 409371558 HLNXXFOVBOFBDA-XMHGGMMESA-N 389.455 3.542 50 40 GHGB O=C(CBr)c1ccc(I)c(C(F)(F)F)c1 98210808 WHKQGBCDMXBSNG-UHFFFAOYSA-N 392.940 3.888 50 40 GHGB O=C(O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)C(Cl)Cl 1401133 MXJUIVHZBZZEBV-STZFKDTASA-N 397.645 3.938 50 40 GHGB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12 15987086 JTLHNBSOIUFSSK-YOLSIQDJSA-N 384.480 3.624 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc2c(c1)OCO2 1068824 AFJDPXSENYXIHZ-INIZCTEOSA-N 392.802 3.677 50 40 GHGB CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 6558042 AQMVZXVUQGGIGS-UHFFFAOYSA-N 390.439 3.836 50 40 GHGB C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc2c(c1)OCCO2 5960683 BRWGZPGCEPSLOT-CRRPLPBISA-N 388.851 3.727 50 40 GHGB CC(C)Oc1ccccc1/C=N\NC(=O)c1cc(Br)ccc1O 408603436 QUHPLZYZZQQXFR-GRSHGNNSSA-N 377.238 3.706 50 40 GHGB CCOC(=O)[C@@H](Br)[C@@H](C(=O)OCC)c1ccc(C)c(Cl)c1 12274246 VVGKSLJKENWXJD-STQMWFEESA-N 377.662 3.622 50 40 GHGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)N3CCOCC3)cc2C(C)=CC1(C)C 208523675 UAHPMWMNGULKTK-UNOMPAQXSA-N 379.504 3.783 50 40 GHGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 3209860 SLLVSVGAUKKLSA-KEBDBYFISA-N 385.811 3.690 50 40 GHGB O=C(N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1)c1cccc(F)c1 813223 CURBEGHGBGPPRI-ZMOGYAJESA-N 380.350 3.948 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccc(C)cc1 1242022 SUKRSDVNZBMSLX-WSDLNYQXSA-N 397.479 3.655 50 40 GHGB O=C(Oc1ccc(CCI)cc1)c1ccc([N+](=O)[O-])cc1 1688798 JVGPDRSTYQHRHH-UHFFFAOYSA-N 397.168 3.792 50 40 GHGB COCCn1c(C)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c1C 6825540 UGXUOZXXUPDSJD-OEAKJJBVSA-N 379.460 3.677 50 40 GHGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 12137409 UQQTYHQFEMEGKO-HXUWFJFHSA-N 398.503 3.811 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 14134901 NZTQLMFYJVNNTI-HZHRSRAPSA-N 389.411 3.867 50 40 GHGB CC(=O)N(c1nc(/C=C(\C#N)C(=O)OC(C)C)cs1)c1ccc(F)cc1F 15188858 RZCCLORUDLDOEZ-WUXMJOGZSA-N 391.399 3.964 50 40 GHGB O=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1CCc1ccccc1 25628394 TUQMBWLKLOTHCT-UHFFFAOYSA-N 376.431 3.615 50 40 GHGB Cc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1[N+](=O)[O-] 33556368 WZKNXKNKZNQVKB-GIJQJNRQSA-N 384.373 3.790 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)o1 33792935 KQDKOPPEZMSBOB-JAIQZWGSSA-N 394.343 3.835 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1OC 59473597 OGKQLCAWEDDHKT-LPYMAVHISA-N 384.501 3.952 50 40 GHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(O[C@H](C)C(=O)O)cc1 100216302 DCNBXWWNPKTTHA-KHAFMBKQSA-N 386.411 3.547 50 40 GHGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)CNc2ccc(C)cc2)c1O 4739491 UDAQGMGVTTZCKD-LSFURLLWSA-N 396.274 3.968 50 40 GHGB CCOc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2O)cc1 408567058 KTJBLAWGPMYOHO-YBFXNURJSA-N 377.238 3.707 50 40 GHGB CC(C)(C)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 6323430 WOBHLBWMTDDHSH-CBFMJHRQSA-N 381.451 3.626 50 40 GHGB CN(C)N1C(N)=C(C#N)[C@H](c2ccsc2)C2=C1C[C@@H](c1ccccc1)CC2=O 691052 GVIBZHDXBZPZJY-UZLBHIALSA-N 390.512 3.719 50 40 GHGB CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1Br 3079696 BUTGEHGYEVRJDE-HMHKGCENSA-N 391.265 3.765 50 40 GHGB O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccccc1Cl 7393238 BEILRQZTGSDJQL-UHFFFAOYSA-N 399.241 3.879 50 40 GHGB O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(I)c1 59502245 MVBITURLVXCJMK-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCC(=O)OC 408568127 IALHHBJGJQHUKB-ZSOIEALJSA-N 395.390 3.717 50 40 GHGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 408589785 MWBJUCQZOLHVEG-FSJBWODESA-N 382.851 3.915 50 40 GHGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)sc(C)c1C 408847546 NMTVMXLIJPCJMN-YVLHZVERSA-N 399.516 3.944 50 40 GHGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc4ccccc34)CC2=O)cc1C 409154861 ORPIWHAANAFBAP-LEEXQRRLSA-N 385.467 3.960 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 59436886 QKECZBOVABECLN-RGVLZGJSSA-N 391.811 3.810 50 40 GHGB O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 58900609 VIRTXCLFLSHLIO-HYARGMPZSA-N 388.383 3.611 50 40 GHGB Cc1cccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(N)=O)c1 2336708 DXIPXONRVIERMR-SWEXZPIWSA-N 397.887 3.560 50 40 GHGB CCOc1ccc(CC(=O)N/N=C/c2cc(Br)ccc2OC)cc1 10475940 HLLALGRWAREGQR-UDWIEESQSA-N 391.265 3.549 50 40 GHGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)cc2)nc2ccccc21 4033898 FWLBNUAQPVUFFL-HMAPJEAMSA-N 382.489 3.697 50 40 GHGB CC(C)c1ccccc1NC(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 6171629 VHTUOWAXIVTRSN-SXGWCWSVSA-N 392.411 3.628 50 40 GHGB CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c2C1 4677650 LRXYKDUXYDUMOT-OMBDHMDGSA-N 383.452 3.623 50 40 GHGB CCn1cccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408568835 LFQJPEAKUXXHRI-XDHOZWIPSA-N 375.519 3.516 50 40 GHGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1CC=C 408808806 GFMXYCIACRDIGG-QNGOZBTKSA-N 386.451 3.659 50 40 GHGB CCOC(=O)[C@H](c1ccc(C)c(Cl)c1)[C@@H](Br)C(=O)OCC 12274249 VVGKSLJKENWXJD-CHWSQXEVSA-N 377.662 3.622 50 40 GHGB C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1ccc(F)cc1 100527425 KYAIAOGNHAZMAA-BHGWPJFGSA-N 381.329 3.979 50 40 GHGB Cc1ccccc1OCC(=O)NNC(=O)c1cccc(Oc2ccccc2)c1 2656006 VONDLPOFTFHKQW-UHFFFAOYSA-N 376.412 3.627 50 40 GHGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1 409195982 LWDFBOZRVLDENH-OEAKJJBVSA-N 375.453 3.892 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408794945 KOFFOOQGUSNVAU-LDADJPATSA-N 378.428 3.791 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCCBr 41078009 BAKQVYVQYBUYHZ-DEDYPNTBSA-N 391.265 3.623 50 40 GHGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)N3CCOCC3)cc2[C@@H](C)CC1(C)C 223576610 BAKOTHUVUDYMSW-LSPINASFSA-N 381.520 3.873 50 40 GHGB CC(C)(C)c1[nH]nc2c1[C@H](c1ccc(Br)s1)C(C#N)=C(N)O2 4494624 AIWFBERAGNJOLH-JTQLQIEISA-N 379.283 3.749 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OC(=O)c1ccco1 4504147 GFXQOXREHCPPFC-CIAFOILYSA-N 382.372 3.563 50 40 GHGB CSc1ccc([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 4730794 OYLVDKJTQOSNDG-UXHICEINSA-N 389.528 3.542 50 40 GHGB Cc1ccc(C)c(SCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 6536330 TZLOCKZKAQZADZ-UHFFFAOYSA-N 393.468 3.781 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(F)cc1 7931546 BLDVEXCHIGWADH-WYMPLXKRSA-N 379.391 3.572 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1O 8106757 HVUWDPVKOKNKLS-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc(Br)cc2)c1 8339471 YVKVJDYRFIECME-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 8558475 GOEKSQIEIBQHDN-RGVLZGJSSA-N 388.265 3.808 50 40 GHGB COc1cccc(C(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c1 13140906 IELHGNITXJBJTL-WLRTZDKTSA-N 386.201 3.976 50 40 GHGB COc1cc(/C=C/C=O)ccc1O[C@@H](C)Cc1cc(OC)c(OC)c(OC)c1 49181087 SFBXSVRVKLGYSH-LFAOLKIESA-N 386.444 3.943 50 40 GHGB biogenic,in-vitro CCOc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc(Br)c1O 100175468 NCCLMCFOYFLBKT-HFBIQIHXSA-N 395.297 3.830 50 40 GHGB CC(C)Oc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(OC(C)C)c1 408566549 HQGCWBFMPSMZRM-MTJSOVHGSA-N 385.420 3.933 50 40 GHGB C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(C(=O)O)cc1)c1ccccc1 409230235 XQMBNDLESNLHEM-BAACNHRGSA-N 385.423 3.960 50 40 GHGB C/C(CC(=O)Nc1ccccc1F)=N/NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 4402176 LZNFJTIBVCNPQU-FBHDLOMBSA-N 392.774 3.522 50 40 GHGB COc1ccc2cc(/C(C)=N/NC(=O)Cn3ccc(C(F)(F)F)n3)ccc2c1 5784787 PHLYMTKVKVMYRW-FSJBWODESA-N 390.365 3.604 50 40 GHGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)Nc1cccc(C(=O)O)c1 408542987 MQGDUMMLNSAUIM-YBEGLDIGSA-N 379.391 3.670 50 40 GHGB C/C(=N\NC(=O)c1ccccc1N)c1cccc(NC(=O)Cc2ccccc2)c1 13321985 WLEXEPOQUMAITO-WGOQTCKBSA-N 386.455 3.604 50 40 GHGB COc1ccccc1OCC(=O)N/N=C\c1ccc2c(c1)C(C)=CC(C)(C)N2C 208436623 PCDJZGHSLRFEGC-OYKKKHCWSA-N 393.487 3.856 50 40 GHGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1[N+](=O)[O-] 3193986 JCRBFPKATVWWJN-YBFXNURJSA-N 380.316 3.527 50 40 GHGB CCOc1ccc(/C=C(\C#N)c2nnc3n2-c2cc([N+](=O)[O-])ccc2OC3)cc1 12524265 XQJYIVXWWLQLCY-NTEUORMPSA-N 389.371 3.531 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)cc1 1202887 YNDJVWITPLYJEN-DNTJNYDQSA-N 396.672 3.679 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c([N+](=O)[O-])c1 4575915 OKGQINMDPQLWHU-LFYBBSHMSA-N 385.763 3.831 50 40 GHGB Cc1cc(C)c2c3c(sc2n1)C1(CCC2(CC1)OCCO2)C(C#N)=C(N)O3 4593894 LHZSOHILNPNWLC-UHFFFAOYSA-N 383.473 3.554 50 40 GHGB NC(=O)N/N=C1\C(=O)N(C2c3ccccc3C=Cc3ccccc32)c2ccccc21 4655785 FKNLSELGFIAUPA-QLYXXIJNSA-N 394.434 3.679 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4C)ncnc32)cc1Cl 17135864 CYTXPLRLJIFXLZ-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB O=C(N/N=C/c1ccco1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409004497 DGKVTXGGLNTEIU-SRZZPIQSSA-N 394.258 3.589 50 40 GHGB N#CCn1cc(/C=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 409377720 JEIFJVVBWKBHOC-QFEZKATASA-N 382.423 3.847 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OC 1438759 LDPJXMAHXLGKTG-AWNIVKPZSA-N 386.791 3.601 50 40 GHGB COc1cccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2C(F)(F)F)c1 5289279 CJCSRHKAUSLQFE-WYMPLXKRSA-N 393.365 3.849 50 40 GHGB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104954927 QGAFYOIOOAMHSG-XSKXUOKSSA-N 398.517 3.791 50 40 GHGB CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc2ccccc2cc1OC 1052469 WGWQHQOAIDFCHZ-LPYMAVHISA-N 393.399 3.919 50 40 GHGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)=C2C#N)cc1 6477547 SUFBKVLLURNRNH-BQFCYCMXSA-N 397.544 3.856 50 40 GHGB O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 57351423 RHQOEDOZRIQSPG-UHFFFAOYSA-N 391.309 3.556 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OC 107637253 GKVXHANRWPYMTE-RGVLZGJSSA-N 399.428 3.981 50 40 GHGB CCC[C@H](C(=O)OCC)/C(C)=N\NC(=O)COc1cc(C)ccc1C(C)C 101358381 UJHGEOCSGLVZHZ-PSRBBBRCSA-N 376.497 3.969 50 40 GHGB CC(C)(C)OC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 2295797 RITFJCMFLKSJDG-GIDUJCDVSA-N 394.063 3.776 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1C 408568033 RQNTXWSGHNTIQP-YDZHTSKRSA-N 376.412 3.954 50 40 GHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCO3)[C@H](Br)C2=O 4185843 VDMURGWMUKEYRQ-XWIAVFTESA-N 394.265 3.513 50 40 GHGB CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2cccc(OC)c2o1 6440670 LPGNPENYPDOPOW-WJDWOHSUSA-N 398.422 3.947 50 40 GHGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OC2CSC2)cc1 4502721 MRTCXPOFCYZUEW-FPQGOQEYSA-N 386.542 3.953 50 40 GHGB CCOc1cc(/C=C(\C#N)c2nc(C)cs2)ccc1O[C@@H](C)C(=O)N(C)C 8207406 YNKLTIYYFKYTBQ-FSEGOYHTSA-N 385.489 3.770 50 40 GHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@]21C 408874915 GHAWBUXCLYJONG-MVRSUKAXSA-N 389.293 3.738 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2F)cc1Br 408740349 FRYKAOAKQYUYHL-RGVLZGJSSA-N 377.213 3.917 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1Br 1433460 HLUHVGXLXDNPHI-DJKKODMXSA-N 397.656 3.640 50 40 GHGB O=C(N/N=C/c1ccccc1F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 59433878 JQBAPFLEOXZOPI-GZIVZEMBSA-N 387.720 3.587 50 40 GHGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)c1 5160798 MYEICCSKSUHXDY-INIZCTEOSA-N 378.819 3.957 50 40 GHGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1cccc(Br)c1 14923244 XRBQCDCIMQPBFD-SRZZPIQSSA-N 392.228 3.723 50 40 GHGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1ccc(Br)cc1 408712767 PHITYQQXVYPQIP-UHFFFAOYSA-N 389.640 3.535 50 40 GHGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(I)cc1 408721667 WUISSSHOZTWDBD-OLXINACNSA-N 382.245 3.568 50 40 GHGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(O)cc1 408995987 CJQRKKATOLERGS-FSJBWODESA-N 397.862 3.982 50 40 GHGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 216051811 LCGMRQZOAMWLPE-GDNBJRDFSA-N 396.830 3.915 50 40 GHGB C=CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2163770 BXUNQBFACBEINZ-IBGZPJMESA-N 380.444 3.711 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(O)c1 4044820 SYNAZAXVLZVHFY-OEAKJJBVSA-N 377.444 3.861 50 40 GHGB N#CC(C#N)=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 4504327 ADYPREMUMDJTDN-UHFFFAOYSA-N 378.229 3.839 50 40 GHGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 15225915 FNGBMRLQNWBNCE-SILNSSARSA-N 375.472 3.730 50 40 GHGB N#CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 33675435 MEZQFCJZWYYCFN-NHDPSOOVSA-N 398.216 3.862 50 40 GHGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1cccc(Br)c1 59515751 RDTBSTIOUUOQJU-BKUYFWCQSA-N 388.265 3.513 50 40 GHGB Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 409077358 DHKDCVRTVOKOCY-MFKUBSTISA-N 383.407 3.850 50 40 GHGB Cc1ccc(C)c(CC(=O)N/N=C\c2cccc(I)c2)c1 409366772 YBSQGOCDWVBIDC-ODLFYWEKSA-N 392.240 3.601 50 40 GHGB COc1ccc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc1OC 4478129 RESCRENUAINQAL-XNTDXEJSSA-N 392.440 3.872 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(Cl)c1 4815520 PYELJOQLXSUYAO-FBCYGCLPSA-N 395.640 3.904 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 6453613 JNCILBRBZJCUTA-CIAFOILYSA-N 395.371 3.636 50 40 GHGB CC(C)(C)c1cc(CCC(=O)NNC(=O)c2cccnc2)cc(C(C)(C)C)c1O 7038980 ZAMPIRSLXXYZMN-UHFFFAOYSA-N 397.519 3.776 50 40 GHGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(SCCO)c([N+](=O)[O-])c2)c1C 32124722 MZPYXDJATLMLHY-YBEGLDIGSA-N 397.456 3.842 50 40 GHGB COc1cc2cc(/C=N/NC(=O)c3ccccc3OC)c(Cl)nc2cc1OC 32608427 YROUVDQGYQPNGL-SSDVNMTOSA-N 399.834 3.678 50 40 GHGB COc1cc(OC)c(/C=N\NC(=O)c2ccc(C)cc2)cc1Br 35003094 KMVDEBQZZLMWSC-GRSHGNNSSA-N 377.238 3.539 50 40 GHGB NC(=S)c1ncc(/N=C\c2ccc(N(CCCl)CCCl)cc2)s1 104053805 QSERHVKRDMYTDT-OCKHKDLRSA-N 387.361 3.812 50 40 GHGB NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 226333729 BSTQNKZOAFISQQ-XBXARRHUSA-N 381.657 3.685 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 408744842 NNTIIVNHJKGTLT-QTXHJTIISA-N 388.427 3.513 50 40 GHGB Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1 409116865 NFEWHDGCIKCMID-ZMOGYAJESA-N 391.427 3.979 50 40 GHGB N#Cc1ccc(COc2cccc(/C=N/NC(=O)Cc3cccs3)c2)cc1 409204167 CKNYLQQGVDAQBU-OEAKJJBVSA-N 375.453 3.892 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])s1 1437967 YUBPCAFDGCDSOW-KZULUSFZSA-N 393.424 3.865 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(OC)c1 3383455 GMGKNNINZNUJDD-KIHMUJGBSA-N 388.489 3.663 50 40 GHGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccnc2)sc2c1CCCC2 5016796 IGDJNHYUNNIJSM-UVTDQMKNSA-N 381.457 3.744 50 40 GHGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccccc1Br 5423695 DYSXYSKULIFHEY-UHFFFAOYSA-N 383.245 3.606 50 40 GHGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1cc2c(s1)CCCCCC2 8316182 RMLHTAGKMDBFRY-UHFFFAOYSA-N 396.468 3.588 50 40 GHGB Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 12898830 HJXHRVKQBDMSGG-UHFFFAOYSA-N 393.491 3.693 50 40 GHGB CC1(C(=O)N/N=C/c2c(Cc3ccc(Cl)cc3)[nH]c3ccccc23)OCCO1 408727303 RFIHNDDWOVZXTF-YDZHTSKRSA-N 397.862 3.625 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OC 408781631 DDEIRRJJJKMBTM-FXBPSFAMSA-N 387.483 3.679 50 40 GHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)cc1 408795074 UPUJKYHYEQENTK-XNTDXEJSSA-N 395.802 3.575 50 40 GHGB O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1c[nH]c2ccccc12 4501729 HSICZNHHEJQIDB-AUEPDCJTSA-N 390.321 3.788 50 40 GHGB Cc1ccccc1Cn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21 409368822 OCFURFLFMZAEKR-ZVHZXABRSA-N 391.471 3.601 50 40 GHGB COC(=O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)cc1 408734348 XWZDTJCLNZRHGM-QFEZKATASA-N 399.450 3.757 50 40 GHGB C=CCc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc(OCC)c1O 408809033 HIZOIEFZDIRTKD-UUYOSTAYSA-N 388.851 3.702 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OC 408818208 NGIINVSYSPIIDA-UNOMPAQXSA-N 392.455 3.664 50 40 GHGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1O 408815158 RTDNTPAXXLNKBI-UNOMPAQXSA-N 392.455 3.751 50 40 GHGB Cc1cc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c2ccccc2n1 2637333 LPHSVBQHJPOMPA-UHFFFAOYSA-N 384.395 3.542 50 40 GHGB C/C(CC(=O)Nc1cccc(C)c1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 4402165 SQCKAYZMTQGZAH-CIAFOILYSA-N 388.811 3.691 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 3081532 QLDNPQYRICZULD-UDWIEESQSA-N 385.445 3.543 50 40 GHGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 59332822 IWRJMMBGBOHAKN-VBKFSLOCSA-N 396.834 3.504 50 40 GHGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C(C)(C)C)cc3)CC2=O)cc1 409157467 VOWPFADMRIAQQR-YNJLWJOVSA-N 377.488 3.796 50 40 GHGB CCOC(=O)[C@H](C#N)C1=C(/C(SC)=C(/C#N)C(=O)OC)CCCCCC1 5717523 MDWYNJSUBPDOHG-CMNSUTGZSA-N 376.478 3.654 50 40 GHGB Cc1ccc(NNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1Cl 32908254 LGRAHEIJOILULE-HNNXBMFYSA-N 377.897 3.848 50 40 GHGB CCOc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2cccc(C)c2)cc1OC 818283 YXTAEVFPCWHSAU-LJQANCHMSA-N 395.484 3.702 50 40 GHGB CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC 657745 USORCXXPIOBYCD-UFFVCSGVSA-N 397.258 3.930 50 40 GHGB Cn1nc(C(F)(F)F)c(/C=N/OC(=O)CCl)c1Sc1ccccc1 1385371 UDESWYDXZBPEIP-UFWORHAWSA-N 377.775 3.706 50 40 GHGB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2ncccc2c1 13281916 NEUSKSSKNOMKBD-XNQWGTPPSA-N 384.480 3.624 50 40 GHGB O=C(NC[C@@H]1SS[C@@H](CNC(=O)c2ccccc2)S1)c1ccccc1 41097454 MBYBEJZIXXFIIV-HOTGVXAUSA-N 390.555 3.627 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)c([N+](=O)[O-])c1 408527185 FIMRZCZDWWXOMT-CIAFOILYSA-N 379.372 3.692 50 40 GHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1C 408970060 ZNEZFQXNXJCJDQ-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB COc1cccc2cc(C(=O)N/N=C/c3ccc(N4CCCC4)c(F)c3)oc12 409098186 OEAYUWAHIOBURO-YDZHTSKRSA-N 381.407 3.945 50 40 GHGB COCCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3224345 SGCMYYGFPVLYIJ-GHRIWEEISA-N 391.402 3.775 50 40 GHGB CCOC(=O)/C(C#N)=C/c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1 4511254 RMGFUKOYQUJOQG-DTQAZKPQSA-N 382.372 3.523 50 40 GHGB COc1ccccc1[C@H]1C(C#N)=C(SCc2ccccc2)NC(=O)[C@@H]1C#N 9012392 NWHPOYYUBVAVIP-VQIMIIECSA-N 375.453 3.717 50 40 GHGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1O 17080759 NCCLMCFOYFLBKT-BHUQIAQOSA-N 395.297 3.830 50 40 GHGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1O 36490171 NCCLMCFOYFLBKT-QUYDKHJWSA-N 395.297 3.830 50 40 GHGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(I)c1 59382509 UZHKNRUPBKGIAI-VXLYETTFSA-N 389.196 3.536 50 40 GHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 408985929 NZNJLKCIVQVUNG-LDADJPATSA-N 378.428 3.791 50 40 GHGB CC(C)COc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1 409021417 GKACYZMXKRMRQD-CFRMEGHHSA-N 377.444 3.799 50 40 GHGB Cc1ccccc1CN(c1ccc(C(=O)NN=C2CCCC2)cc1)S(C)(=O)=O 409123278 BMPOIFCQFCLFBF-UHFFFAOYSA-N 399.516 3.621 50 40 GHGB CC[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cccc(OC)c1 695750 LHMMHIJZCSOUPE-RONKMWSCSA-N 390.281 3.799 50 40 GHGB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NNC(=O)C4CC4)c23)CO1 2423634 HMBDTULNUFBRJT-KRWDZBQOSA-N 378.523 3.508 50 40 GHGB CCCNC(=O)/C(C#N)=C/c1cc(Br)c(OC(C)C)c(OC)c1 4675986 GARWQQZHOLUVNQ-NTUHNPAUSA-N 381.270 3.678 50 40 GHGB O=C(CBr)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Cl)cc1 4834323 YROBFPKXJHSDJE-UHFFFAOYSA-N 397.612 3.813 50 40 GHGB CCCc1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)c(OC)c1)C(C#N)=C(N)O2 8382716 ASAQDJYOLUHDMG-IBGZPJMESA-N 394.475 3.910 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 59426558 YIZMOGKJNVGJDS-FYJGNVAPSA-N 379.372 3.556 50 40 GHGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cccn2-c2ccc(OC)cc2)c1 408953394 PGFXHEQCJRECKF-IWIPYMOSSA-N 391.471 3.886 50 40 GHGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OC 409325373 YFTFDZXEASSPKJ-HAHDFKILSA-N 398.459 3.821 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(Br)c1 988697 YFCWSBIPWQILAA-HNNXBMFYSA-N 395.212 3.774 50 40 GHGB biogenic,in-vitro Cc1ccc(-n2ncc3c(NNC(=O)c4cccc(Cl)c4)ncnc32)cc1C 7393250 KQXOADSCBKUNPW-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB N#C/C(C(=O)NC1CCCCC1)=C1/C(=O)N(Cc2ccccc2)c2ccccc21 409118668 QHGUJADBBZSITE-XDOYNYLZSA-N 385.467 3.959 50 40 GHGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 409183429 CMUXCYNLBOLVSU-WJDWOHSUSA-N 382.391 3.702 50 40 GHGB O=C(N/N=C\c1cccc(O)c1)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 30742945 ALGUSADGYJLWCB-UKWGHVSLSA-N 375.215 3.853 50 40 GHGB Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)c3cccs3)ncnc21 20662098 BRNYRBVZFWXVOT-UHFFFAOYSA-N 384.852 3.596 50 40 GHGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)c1C 408797609 SGRMRIXBJIYZLS-OVCLIPMQSA-N 384.819 3.966 50 40 GHGB Cc1cccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c1 8860353 QZJJXNTYJBVNAW-UHFFFAOYSA-N 392.850 3.843 50 40 GHGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccco3)c2)cc1C 409015838 BVCIUYCIWIKULD-QRVIBDJDSA-N 391.427 3.678 50 40 GHGB COC(=O)c1cccc2[nH]cc(/C=C(\C#N)C(=O)NCc3ccccc3Cl)c12 61720033 DDRSLADKXVKTTQ-NTEUORMPSA-N 393.830 3.831 50 40 GHGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3)o2)c1 409364432 XEQOMENSIJMFHG-OEAKJJBVSA-N 376.412 3.734 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)c1 409130029 LRFPWVPIIDCABW-CQSZACIVSA-N 383.498 3.767 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1O 874151 BZRMHVOLXSJNJH-NVNXTCNLSA-N 395.846 3.801 50 40 GHGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NC[C@@H]1CCCO1 17700356 WNLRQOKXKHVNIL-YWFITGJYSA-N 380.419 3.607 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC 6286757 VINSWCMOTZLJMB-WYMPLXKRSA-N 395.381 3.675 50 40 GHGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 1052005 HTJAZECKVHAFBO-GCMSVZMUSA-N 388.423 4.000 50 40 GHGB C/C(=N/NC(=O)CCc1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 662799 BMRNSBWQPKNVGW-CFRMEGHHSA-N 377.366 3.660 50 40 GHGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 4544387 MLMZYVJLVCWKPP-BUVRLJJBSA-N 387.439 3.776 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)o2)cc1 6379960 HIHHXNFKKFNSQW-VBKFSLOCSA-N 388.379 3.984 50 40 GHGB Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C1C#N 9013381 BBPGBMIRVYMHJJ-QGZVFWFLSA-N 395.459 3.845 50 40 GHGB Cc1ccc(CCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1 10766313 YEJKQLQQECITQC-UHFFFAOYSA-N 379.485 3.821 50 40 GHGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(F)cc1 20248622 IWDXCEAGACOZQH-DJKKODMXSA-N 381.270 3.972 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 408568880 XGIIBTBEEDVTPO-JMIUGGIZSA-N 398.306 3.666 50 40 GHGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)Cc1cccc2ccccc12 409066318 BQTPLPYONOSLNA-KOEQRZSOSA-N 387.483 3.678 50 40 GHGB O=C(CCl)O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21 1400725 WFQOALNAUNMLBW-KQWNVCNZSA-N 396.752 3.738 50 40 GHGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCCCCCC1)S(C)(=O)=O 20212883 VLQWOFRDVMYWQP-UHFFFAOYSA-N 399.944 3.631 50 40 GHGB O=C(NCCC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1O 24641386 NYDBWBSYPMJWQT-UHFFFAOYSA-N 389.455 3.558 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1cccc([N+](=O)[O-])c1 59427244 UFNZJYCVZZKPFW-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1 409143695 DJJVARIECKBJQQ-MOPGFXCFSA-N 392.480 3.666 50 40 GHGB O=C(c1ccccc1OC(F)(F)F)[C@H](Br)CBr 575358704 ALWFDQVHMPWLMI-SSDOTTSWSA-N 375.966 3.926 50 40 GHGB Cc1ccc([C@]2(C(F)(F)F)N=C(O)N3N=C4CCCCCN4C3=C2C#N)cc1 4932596 GJDSWZLCOXLACV-SFHVURJKSA-N 389.381 3.921 50 40 GHGB CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(N)=S)c1Cc1cccc(Cl)c1 11690111 OEOGVXWRZFLTOD-UKTHLTGXSA-N 387.892 3.937 50 40 GHGB Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(Br)cs2)c1 2793400 KIAYJNXHJJZBHU-UHFFFAOYSA-N 384.324 3.759 50 40 GHGB N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(F)cc1 920240 FFVGJWBVNMAZLB-AQTBWJFISA-N 389.430 3.703 50 40 GHGB Cc1ccc(OCCCOc2ccc(Cl)cc2/C=N/NC(N)=O)cc1C 13942969 CUAXRMZRTNUXSC-WSDLNYQXSA-N 375.856 3.807 50 40 GHGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OC)c2)ccc1OC 409310382 AYBHVZLMFRXREN-NHDPSOOVSA-N 392.839 3.528 50 40 GHGB C=C1CC(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 408730488 RIGYTXZZUPMWPJ-WSDLNYQXSA-N 395.415 3.599 50 40 GHGB C/C(=N\NC(=O)c1cc2c(s1)CCCC2)[C@@H](c1ccccc1)N1CCOCC1 23424369 HVWUKGULABHWNJ-UYSKRRQASA-N 397.544 3.806 50 40 GHGB C/C(=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(Cl)cc1 13689684 VPCZBBNDFOPQJL-JAIQZWGSSA-N 383.795 3.792 50 40 GHGB N#CSc1ccc2nc(N[C@@H](NC=O)C(Cl)(Cl)Cl)sc2c1 1573760 WFGJFBYQAATRBA-SECBINFHSA-N 381.697 3.724 50 40 GHGB Cc1ccc(-c2csc(=S)n2CC(=O)NNc2nc(C)cc(C)n2)cc1 12878258 YUIIMGRWMVCMRU-UHFFFAOYSA-N 385.518 3.805 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)cc1 9012232 IXPOIVWXNLIXPT-AWEZNQCLSA-N 383.498 3.767 50 40 GHGB COc1cc(Br)c(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC 408893031 DTMPYRCHQARXBC-DJKKODMXSA-N 397.656 3.884 50 40 GHGB COc1cc(Cl)c(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC 408887567 RTWBKHZJCCSGDL-LPYMAVHISA-N 383.835 3.912 50 40 GHGB COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 1052345 RSLZYNHSQWIMIQ-LFVJCYFKSA-N 397.438 3.707 50 40 GHGB COc1cc(C)c(/C=N/NC(=O)c2cccc(Br)c2)cc1OC 6500609 ZUYFOBYMVYVFPB-VXLYETTFSA-N 377.238 3.539 50 40 GHGB C#CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 8112750 ROIJDPFDWSQEQM-CIAFOILYSA-N 388.876 3.603 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cc2c(cc1Cl)OCO2 706764 JCVNPVOUVCFQQQ-INIZCTEOSA-N 392.802 3.677 50 40 GHGB C[C@]12CC[C@H](C(Br)(Br)C1=O)[C@@]2(C)CBr 4285583 UQWCFNOCILWLGO-CNUIFLNQSA-N 388.925 3.873 50 40 GHGB CCOC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 4859879 WIRQMTBTQZARDF-LZYBPNLTSA-N 382.170 3.697 50 40 GHGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OC 7993674 CQRPUSHXYXSPHO-KEBDBYFISA-N 394.880 3.608 50 40 GHGB Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)OC(CCl)CCl)cc1 254447451 CKRBMAIGKLWNGT-WRFANHODSA-N 382.287 3.761 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)ccc1O 674537 RMGQDGGUQGPWNN-OEAKJJBVSA-N 395.459 3.684 50 40 GHGB COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccccc3F)c2c1 871138 TXOMYQRLIZPWSE-SSDVNMTOSA-N 383.448 3.933 50 40 GHGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)=C(c3ccccc3F)[C@@H]2C1 4354124 RNLCRKFIXFLIQR-QGZVFWFLSA-N 392.434 3.646 50 40 GHGB O=C(NCc1ccco1)[C@H](Br)[C@@H](Br)c1ccccc1 2886634 NLEPEARTWRBPDO-QWHCGFSZSA-N 387.071 3.796 50 40 GHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 6614548 VNXPNVQKIDMPMT-BUVRLJJBSA-N 385.423 3.574 50 40 GHGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1Oc1ccccc1[N+](=O)[O-] 59475419 QKODSDQXHNRPGT-WSDLNYQXSA-N 392.371 3.555 50 40 GHGB N#CC1=C2SC[C@@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1cccc(F)c1 12275378 BETHEISNZHZPTK-OXQOHEQNSA-N 384.407 3.608 50 40 GHGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)C(=O)NCCc1c[nH]c2ccccc12 59186164 AMEVZEIMXNFZSV-JXAWBTAJSA-N 396.450 3.930 50 40 GHGB Cc1cc(O)cc(O)c1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1 3202511 HEAOMMKTBXDBCE-YDZHTSKRSA-N 376.412 3.602 50 40 GHGB O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccccc1O 20247822 HWMICKUGZDJVPC-LSFURLLWSA-N 386.770 3.531 50 40 GHGB CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1 4677715 JSBBTMKNDPBXDN-HYARGMPZSA-N 378.432 3.725 50 40 GHGB COc1ccc(SCC(=O)N/N=C\c2ccc(N3CCCCC3)cc2)cc1 408962265 XUUIJMJQRHQFDN-JCMHNJIXSA-N 383.517 3.928 50 40 GHGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(Oc1ccccc1)Oc1ccccc1 1085440 QQLLCASNAWIFEW-PXLXIMEGSA-N 391.383 3.529 50 40 GHGB O=C(Cc1cccs1)N/N=C\c1cc(Br)c(Br)o1 12374978 QQLSFJNYPVCBNB-NSIKDUERSA-N 392.072 3.559 50 40 GHGB C[C@]1(CBr)[C@H]2CC[C@@]1(C)C(=O)C2(Br)Br 169795866 UQWCFNOCILWLGO-YEPSODPASA-N 388.925 3.873 50 40 GHGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)cc(C)c2nc1Cl 898855 HSDQSWFZXQJFMP-MRXNPFEDSA-N 383.835 3.760 50 40 GHGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 6571395 NKOUHLZWGPUARC-WSDLNYQXSA-N 377.404 3.672 50 40 GHGB Cc1ccc(OCC(=O)NN=C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 1392641 KKMXAXFBWBINFN-UHFFFAOYSA-N 389.411 3.851 50 40 GHGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1I 100182333 GAZDXELBWDNRMI-FEURBHROSA-N 382.245 3.568 50 40 GHGB Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1 8726544 WKDQVFCZRPDAPB-WSDLNYQXSA-N 380.379 3.905 50 40 GHGB C#CCN1C(=O)/C(=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 5380029 GWSKLJGEQIDLND-ZLDSNXLKSA-N 399.494 3.588 50 40 GHGB O=C(O)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 5904612 HQLVGQULCRKDMA-FSJBWODESA-N 388.379 3.813 50 40 GHGB CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccc(O)c(OC)c1 1001438 OSTGXVGAIAOQDJ-FPQGOQEYSA-N 375.856 3.703 50 40 GHGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc2ccccc2n1 8294321 BPEBEPZUNHPUKL-UHFFFAOYSA-N 388.452 3.742 50 40 GHGB COc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1OC 59473257 UNEYFDFXQFLGQI-DQAKUKQTSA-N 378.881 3.988 50 40 GHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(C)NC(C)=C2C(=O)Nc2ccccc2)cc1 25157007 JITIOPSEELRYHJ-OAQYLSRUSA-N 387.439 3.870 50 40 GHGB CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21 102434387 IVSLMVNQXQSEKB-GFMRDNFCSA-N 399.878 3.776 50 40 GHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccccc2)cc1 11615660 NNOPZIVWQHIVFV-ATVHPVEESA-N 386.411 3.799 50 40 GHGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 6507851 XKDVYEMGCWFCIK-INIZCTEOSA-N 392.430 3.573 50 40 GHGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)cc1OC 409326801 OKJTVUSCNVJXLJ-UKWGHVSLSA-N 383.231 3.870 50 40 GHGB COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1ccccc1F 409014743 YINPANQPVGYZDT-AWQFTUOYSA-N 395.228 3.646 50 40 GHGB COc1ccc(C(=O)Nc2sc(NNC(C)=O)nc2-c2ccc(C)cc2)cc1 72238717 VVLUVOZRKOLYRH-UHFFFAOYSA-N 396.472 3.842 50 40 GHGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 20238094 OLHDWFPPIPESSG-KRWDZBQOSA-N 398.488 3.942 50 40 GHGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1O 647655 FGXJCJBZNIWMHI-HXUWFJFHSA-N 388.427 3.503 50 40 GHGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 3162502 XLMNJYKVIKXVDL-BUVRLJJBSA-N 388.423 3.816 50 40 GHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 4545160 BMFKVKMPUUTGHP-HYARGMPZSA-N 377.400 3.840 50 40 GHGB CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OC)c(OC)c2)C1=O 16806509 YAMWHLLQDDZFCF-ATVHPVEESA-N 382.460 3.876 50 40 GHGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 28216374 BYBXJILZNMDZTM-ZMOGYAJESA-N 395.434 3.771 50 40 GHGB Cc1ccc(NS(=O)(=O)c2ccc(OCCBr)cc2)c(F)c1 95992732 JBBFYEXXGURXJJ-UHFFFAOYSA-N 388.258 3.709 50 40 GHGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccccc1 409257210 OZQWBQRXQSCHHY-DEDYPNTBSA-N 388.265 3.708 50 40 GHGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OCC 409310357 APJXUKUBJMQGAE-HAHDFKILSA-N 398.459 3.821 50 40 GHGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(Cl)c2)c1 59249843 ZJAGGTAUOBXYGN-NVNXTCNLSA-N 384.819 3.966 50 40 GHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1C 59960028 LUHJALZNCXOFFN-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(N)=C(C#N)C#N)o2)ccc1Cl 100634283 BDHFAUFVCALZDL-NTUHNPAUSA-N 392.802 3.944 50 40 GHGB COc1cc(Br)cc(/C=C(\C#N)C(=O)NC2CCCCC2)c1OC 13897497 IGRVNTBSWQMKOE-MDWZMJQESA-N 393.281 3.822 50 40 GHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(O[C@H](C)C(=O)O)cc1 4703205 DCNBXWWNPKTTHA-WJHGTXIHSA-N 386.411 3.547 50 40 GHGB CCCOc1ccc(/C(C)=N/NC(=O)Cn2nc(C)cc2C)cc1OCCC 33045818 INOSWQCUFBGCFI-OQKWZONESA-N 386.496 3.618 50 40 GHGB Cc1ccc(CN(c2ccc(C(=O)NN=C3CCCC3)cc2)S(C)(=O)=O)cc1 409028658 POBFLFHILXEIFZ-UHFFFAOYSA-N 399.516 3.621 50 40 GHGB CC(C)CCN(C)c1ccc(/C=C(\C#N)c2nc(N)c(C#N)c(N)c2C#N)cc1 19593915 OCDJXVLXHJKBNZ-MHWRWJLKSA-N 385.475 3.536 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C(C)C)cc2)c1 102660505 TVRMDHRKWRPYGY-BUVRLJJBSA-N 397.475 3.962 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1195411 PQOKUNLYTBTMPX-UFFVCSGVSA-N 384.779 3.854 50 40 GHGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)[C@H]1COc2ccccc2O1 5785889 VHYRZHZRFVCSNA-HSZRJFAPSA-N 386.451 3.784 50 40 GHGB O=C(NNC(=O)C1(c2ccccc2)CCC1)c1ccc(COc2ccccc2)o1 25738279 SFGOTYNFQOTFKM-UHFFFAOYSA-N 390.439 3.742 50 40 GHGB COC(=O)N1CCC(=NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1 71817220 RNRLJUWPAJVAMC-AWEZNQCLSA-N 391.537 3.847 50 40 GHGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 409377179 GPKXMICWIPLPRH-SSDVNMTOSA-N 382.351 3.556 50 40 GHGB CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)C1CCCCC1 1340002 LKSPKELWJAPLHO-UHFFFAOYSA-N 385.533 3.925 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)o1 409380683 AUSVCOAQFXKRBT-NTEUORMPSA-N 392.371 3.924 50 40 GHGB C/C(=N\NC(=O)CN1CCCCCC1=O)c1ccc(-c2ccccc2F)s1 96297819 HPRZLLDOYMDKCH-HYARGMPZSA-N 387.480 3.797 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1N1CCOCC1 409228958 HQQIDDJPPPWOOJ-IGCAKMCNSA-N 375.472 3.616 50 40 GHGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408676135 FYAYDSISWICFTM-JJIBRWJFSA-N 376.504 3.959 50 40 GHGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 33744264 OXJPSKMCSWYCNG-QRVIBDJDSA-N 394.406 3.834 50 40 GHGB CC[C@H](C)OC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@@H](Cl)[C@@H]1Cl 245239810 MJYKXJUWZQBIAC-KQZIVJHOSA-N 377.655 3.537 50 40 GHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)SCCS1 6348117 ROGRFSZEEYKYQX-KGENOOAVSA-N 384.526 3.888 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 8344554 DPEYFBUUBHDVIW-CIAFOILYSA-N 385.420 3.673 50 40 GHGB N#CC(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1)=C1Nc2ccccc2N1 3271599 URRHQUUFSSZKLF-UHFFFAOYSA-N 388.210 3.992 50 40 GHGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccccc1-n1cccc1 1092385 BZDCTRHEGKFEQS-UDWIEESQSA-N 384.233 3.709 50 40 GHGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NC[C@H]1CCCO1 1462496 NTWAHMJQHAKQOP-UBXANZILSA-N 385.467 3.892 50 40 GHGB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)NNC(=O)c1ccco1 4849458 NKTNBRUCENDSMX-UHFFFAOYSA-N 383.473 3.560 50 40 GHGB CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1ccccc1 5985084 HMOVORAWEGMKSJ-UHFFFAOYSA-N 379.485 3.659 50 40 GHGB O=C(COc1cccc2ccccc12)NNC(=O)Cc1cccc2ccccc12 6244093 AIXOEHUBSWMVTB-UHFFFAOYSA-N 384.435 3.762 50 40 GHGB Cc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1 8581763 LNOYXMIEHIAIKZ-IBGZPJMESA-N 380.407 3.603 50 40 GHGB CCOC(=O)/C(C#N)=C/C(C)=C\C(C)=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17139581 ICKAYMRQKSQOGB-NEPLVLIFSA-N 386.364 3.778 50 40 GHGB Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2cccc(C)c2)cc1 408998666 RTJMKERRLCHEKV-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 409252596 UCUABCOZDLEOOG-ANRKENSESA-N 393.487 3.595 50 40 GHGB C/C(=N\NC(=O)COc1cc(C)c(Cl)c(C)c1)c1cccc([N+](=O)[O-])c1 805120 KFTIKFJWYSWNPA-DEDYPNTBSA-N 375.812 3.784 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(N2CCCCC2)cc1 4677209 OOJHYPFSAMRDLT-PCLIKHOPSA-N 388.471 3.754 50 40 GHGB CC[C@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 5557300 YRYCMCNIGOJOAU-DTBMRADHSA-N 395.459 3.736 50 40 GHGB C[C@@H]1CCC[C@@H](C)N1CCC(=O)NNC(=S)Nc1cccc2ccccc12 5894282 MSAHAUMVTDPFJF-HZPDHXFCSA-N 384.549 3.810 50 40 GHGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 12137410 UQQTYHQFEMEGKO-FQEVSTJZSA-N 398.503 3.811 50 40 GHGB COc1cc(/C=C(/C#N)C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 33410035 SVKLQQRVIYLHCC-MLPAPPSSSA-N 377.227 3.973 50 40 GHGB Cc1ccc(C(=O)CSC2=C(C#N)C3(CCCCC3)[C@@H](C#N)C(=O)N2)cc1 35682033 UOZOKHFQMPUNMF-INIZCTEOSA-N 379.485 3.866 50 40 GHGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 207161592 QIWXVGZYLBBKQL-GDNBJRDFSA-N 381.388 3.938 50 40 GHGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1 409365650 RGJLDYHBJDNPEB-YDZHTSKRSA-N 376.412 3.954 50 40 GHGB C[C@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)[C@@H]2Br 4228215 FYVXSJHUBPYLLD-MBLNEYKQSA-N 388.925 3.525 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)OC)o2)cc1 20764034 DQNOJCUETLCGGV-OEAKJJBVSA-N 392.411 3.896 50 40 GHGB N#CC1=CN(c2cccc(Br)c2)c2cc(F)ccc2S1(=O)=O 38654571 VAQYCETWCHDDFU-UHFFFAOYSA-N 379.210 3.879 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OC(C)C 408544396 VWKCJBCNXGFRMZ-SXGWCWSVSA-N 380.400 3.726 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OC 408677874 VSBVEBGPTGXJTD-LPYMAVHISA-N 387.867 3.721 50 40 GHGB CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 408951447 IVMBCXBUHPXVCV-YEQCODHOSA-N 389.279 3.842 50 40 GHGB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](Br)C(C)C 2319054 OQHSCEFYWYJJRE-ZDUSSCGKSA-N 397.269 3.711 50 40 GHGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC[C@@H]1CCCO1 4211316 ZLANXCUOWHLSHV-QFTJCQGQSA-N 380.419 3.607 50 40 GHGB CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OCC 5466326 BBLRWKICENROJY-CIAFOILYSA-N 376.840 3.667 50 40 GHGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1Cl 5583592 JALFJHYCMCMPTL-CNHKJKLMSA-N 381.613 3.595 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3C)c2C)cc1 9201497 XNLWNEIFFQJDDG-ZVHZXABRSA-N 389.455 3.953 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)c2ccccc2Br)cc1Cl 20760436 WUYPLENHENXPKZ-DJKKODMXSA-N 397.656 3.884 50 40 GHGB Cc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)c(C)c1 30843531 WXUZGVLRCJFNGY-QRVIBDJDSA-N 392.411 3.645 50 40 GHGB O=C(NNC(=S)NCCCc1ccccc1)c1cc2cc(Cl)ccc2o1 408588780 YPLSAZLUNYPEFA-UHFFFAOYSA-N 387.892 3.828 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc3cc([N+](=O)[O-])ccc3nc2Cl)cc1 408728535 OGTGCANYUSKIGT-KEBDBYFISA-N 384.779 3.569 50 40 GHGB C/C(=N\NC(=O)c1ccccc1C)c1ccc(I)cc1 408766239 ASMYVUZBWGREGI-LDADJPATSA-N 378.213 3.754 50 40 GHGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Cl 408796155 OGCVAVMCVOUFFA-OQLLNIDSSA-N 384.819 3.746 50 40 GHGB CCCOc1ccccc1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 6652489 XARPJTTYVCNMQT-UHFFFAOYSA-N 384.476 3.613 50 40 GHGB C=CCn1c(C)c(/C=N/NC(=O)c2ccc(OC)cc2OC)c2ccccc21 33737847 NLBVMRAFAUAHEE-OEAKJJBVSA-N 377.444 3.917 50 40 GHGB CCCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408706971 GBYJAZRFQOSNAX-BUVRLJJBSA-N 396.491 3.504 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2OCC)OCO3)cc1 409098382 QDPWQKIFIVZXAZ-OQLLNIDSSA-N 380.400 3.758 50 40 GHGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(OCC)c2)cc1OC 409322226 LDZUDVWBPCQJPS-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB N#C/C(=C\c1ccc(O)c(I)c1)c1nc2ccccc2[nH]1 4113145 CTKOKUOZUCASGP-YRNVUSSQSA-N 387.180 3.937 50 40 GHGB CCn1cc(/C=N/NC(=O)[C@@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cn1 6412764 GSOTWKXBFQYQBR-YCYFYPMKSA-N 392.507 3.840 50 40 GHGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)cc1[N+](=O)[O-] 409341026 BYZDFPPECRDVBJ-FOKLQQMPSA-N 396.378 3.865 50 40 GHGB Cc1ccc(NC(=O)C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1C 7813893 ODMDPBIPDSUCCQ-DDUWASBOSA-N 390.487 3.655 50 40 GHGB C/C(NNC(=O)CC(C)C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112123931 AMGCQTNQFZGYSM-HKWRFOASSA-N 394.450 3.518 50 40 GHGB CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(Cl)c1O 30843535 FIUXKPGNRPUGGV-FBHDLOMBSA-N 376.840 3.590 50 40 GHGB CSc1ccc(/C=N\NC(=O)c2cccc(I)c2)cc1 33333744 ZZBUMSWGKVGNOD-YVLHZVERSA-N 396.253 3.777 50 40 GHGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)COc1ccccc1 5288487 JAHBBSMNBHJASF-ZMOGYAJESA-N 393.365 3.605 50 40 GHGB COc1cc(/C=N/NC(=O)CCCCc2cccs2)cc(OC)c1OC 2727986 BIVBVNSGKDLGRW-DEDYPNTBSA-N 376.478 3.637 50 40 GHGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCCOc1ccccc1C 4551068 ZKSYFTIQQOOFAT-WSDLNYQXSA-N 391.855 3.507 50 40 GHGB CC(=O)c1cccc(NC(=O)COC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1 6056488 DWIACSOFTDESAK-SXGWCWSVSA-N 382.803 3.631 50 40 GHGB CCN(CC)c1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)cc1 9303126 OWIGLYCUATVHPZ-HMMYKYKNSA-N 385.489 3.792 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccco1 13145374 ZIPAJJBHJPIEAM-WSDLNYQXSA-N 398.802 3.925 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)cc1 20763993 ZGWLJGIHOQDTBO-OEAKJJBVSA-N 392.411 3.896 50 40 GHGB COc1cccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)c1 30902099 MDIDMZOQFFWTIO-JMIUGGIZSA-N 391.265 3.604 50 40 GHGB COc1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 101394665 LKHKPUCGPURPIF-PTNGSMBKSA-N 378.837 3.608 50 40 GHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OC)c(C#N)c1C 408547173 SXCGWSADMNFBFJ-OQLLNIDSSA-N 394.452 3.832 50 40 GHGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408806367 IXOVQIWXYMWSJX-MHWRWJLKSA-N 397.862 3.789 50 40 GHGB O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 409366940 XUGUVYRPPZGSOG-AFUMVMLFSA-N 377.419 3.967 50 40 GHGB COc1ccc(OC)c(NC(=O)[C@H](Br)Cc2ccccc2F)c1 94993278 GQEZLVPDTRZWLM-CYBMUJFWSA-N 382.229 3.788 50 40 GHGB Cc1ccccc1/C=N/NC(=O)c1ccn(Cc2cccc(Br)c2)n1 1081938 XTBWJNQAUAPEHV-CIAFOILYSA-N 397.276 3.766 50 40 GHGB CN(C)C[C@H](/C(Cc1ccccc1)=N/NC(=O)c1ccncc1)c1ccccc1 5824197 NBDFSGIKEMKEQE-WWCBRRATSA-N 386.499 3.756 50 40 GHGB C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1cccc(F)c1 5289257 HZSCRBYKTHUVLK-BHGWPJFGSA-N 381.329 3.979 50 40 GHGB O=C(NNC(=S)NCCc1ccccc1)C(c1ccccc1)c1ccccc1 2783968 IXOBTMPZWWDPDI-UHFFFAOYSA-N 389.524 3.557 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3088990 XSJQMGMZJURPIK-FSJBWODESA-N 393.365 3.583 50 40 GHGB COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1ccc(C)cc1 6211889 DRCJPILXLWMAKO-KEBDBYFISA-N 391.265 3.815 50 40 GHGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 59417810 OWAFEJAPQOBHHZ-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[C@@H](C1)c1cc3nccnc3cc12 72400129 XRIRHQDUNQALNR-BETUJISGSA-N 376.372 3.624 50 40 GHGB in-vitro Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(C(=O)O)cc4)cc3C2)cc1 83318414 WKDZDIJWAIBAFR-MXAYSNPKSA-N 399.450 3.977 50 40 GHGB CCc1cc2ccccc2nc1SCC(=O)NNC(=O)c1cccc(C)c1 4849248 KUPBVDZPRQWHHZ-UHFFFAOYSA-N 379.485 3.659 50 40 GHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 1772069 DDQBKELOVXVAQO-DHRITJCHSA-N 390.487 3.654 50 40 GHGB COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 11990409 VVOQTVDGTSICBF-NTUHNPAUSA-N 386.747 3.547 50 40 GHGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408945067 WNXKJSFTGZQXQW-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC 409309822 MVRUNDXCNQNBPT-HAHDFKILSA-N 398.459 3.821 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 8082111 JDYDFFGCOGZLJU-LPYMAVHISA-N 386.835 3.523 50 40 GHGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 5163896 AFDFVQDETPFIPH-KRWDZBQOSA-N 376.391 3.833 50 40 GHGB CC1=C(C=O)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(C=O)c(C)n1[B-]2(F)F 1857795582 RCPWYTCJRFDFEH-UHFFFAOYSA-N 380.203 3.916 50 40 GHGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)cc1 672125 ZIVBXYITYOSSIZ-OEAKJJBVSA-N 375.428 3.961 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1C 1101294 NRVWDTZOCQQHAG-WSDLNYQXSA-N 379.416 3.546 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 1239981 HLYDJJBVMBBJBB-CIAFOILYSA-N 399.907 3.861 50 40 GHGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)[C@H](O)c1ccccc1 4905576 VBSLAHXGPCNBKT-PGNNWUFWSA-N 399.790 3.692 50 40 GHGB CN(c1ccc(C(=O)NN=C2CCCCC2)cc1)S(=O)(=O)c1ccccc1 5205784 SCHUYBIKFHXFKI-UHFFFAOYSA-N 385.489 3.562 50 40 GHGB COc1ccc(/C(C)=N\NC(=O)CNc2ccc(Cl)cc2C)c(OC)c1 5379246 ADNLSWKILHIDQC-XKZIYDEJSA-N 375.856 3.618 50 40 GHGB CC(NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)=C(C#N)C#N 6862111 JFBVCFJCSOCEHJ-UHFFFAOYSA-N 380.473 3.880 50 40 GHGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)c1 8334754 YIXUGAVHWDEOHE-WYMPLXKRSA-N 390.443 3.948 50 40 GHGB C=CCn1cc(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc21 15978952 ZYZHGKLZZMTSTC-QFEZKATASA-N 384.439 3.905 50 40 GHGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(OC)c1 66091328 BQILMLZAHGVBNM-OAQYLSRUSA-N 379.460 3.768 50 40 GHGB C=CCOc1cccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 101312659 JEORGWBUBKVXSR-ZVHZXABRSA-N 385.423 3.515 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)c(C)c1 408994089 FPSCGUIWMKAZBO-OYKKKHCWSA-N 389.455 3.953 50 40 GHGB COc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3)o2)c([N+](=O)[O-])c1 409357633 AZBWZIANRWBRKW-LPYMAVHISA-N 393.399 3.865 50 40 GHGB O=C(NNc1ncnc2ccccc12)c1ccc(NC(=O)c2ccccc2)cc1 585139052 CWHBSWIAMCFDFA-UHFFFAOYSA-N 383.411 3.639 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 714332 AOFFSHWVKLSRHO-OAHLLOKOSA-N 395.758 3.573 50 40 GHGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1cccc(C(F)(F)F)c1 13343011 RXMULYVTGQGPAG-MDWZMJQESA-N 390.317 3.714 50 40 GHGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3O)c2C)cc1 19720301 YBZFHWJOPFMPQE-UCQKPKSFSA-N 377.444 3.962 50 40 GHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 33652701 RICUSXFWNYCASU-CIAFOILYSA-N 392.371 3.577 50 40 GHGB CC/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 59436869 BOPVTQUSAKSZNG-XSFVSMFZSA-N 391.811 3.810 50 40 GHGB CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)o2)cc1 408968224 UUMUQJFGSSKJQR-WYMPLXKRSA-N 375.359 3.924 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1O 409051606 BLYNACQVOMLIDF-UFWORHAWSA-N 397.656 3.889 50 40 GHGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)c1 409064920 QVURRPMLJCNBIR-FBHDLOMBSA-N 384.775 3.768 50 40 GHGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2I)c1 409366808 YQEKRGMQGIQEAY-ODLFYWEKSA-N 392.240 3.601 50 40 GHGB COC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)ccc1Cl 409368902 RWLGEKGSOKHHSU-GXDHUFHOSA-N 384.819 3.916 50 40 GHGB O=C(CSc1ccccn1)N/N=C/c1ccccc1OCc1ccccc1 1250827 UPBXOIHEPDBPDU-OEAKJJBVSA-N 377.469 3.903 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCc1ccc(F)cc1 7945679 RJRDMPBTTYWJGX-ZMOGYAJESA-N 394.402 3.883 50 40 GHGB O=C(N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1)c1cccs1 2310061 UFBIUYLWHRKNAB-DNTJNYDQSA-N 376.800 3.887 50 40 GHGB N=c1oc2cc3c4c(cccc4c2cc1-c1nc2ccccc2[nH]1)C(=O)OC3=O 100926858 NDDCOXWVQDJJHL-UHFFFAOYSA-N 381.347 3.919 50 40 GHGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(Oc3ccccc3)c2)c1 2629693 FXOHGWPQSLODPF-UHFFFAOYSA-N 392.411 3.571 50 40 GHGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)o1 2745683 LLCGKNIKERXMRO-QBROUFQSSA-N 383.070 3.502 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SCCS1 7003230 ZTVWNMUMUUCMOP-WOJGMQOQSA-N 391.474 3.891 50 40 GHGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1Cc1ccccc1Br 408881565 NBEBGHNVHTXWFO-CXUHLZMHSA-N 385.261 3.831 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409218802 HEEYPSRWLRLKNA-WSDLNYQXSA-N 382.803 3.991 50 40 GHGB N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1I 208350330 VBFCNDPUXIIXPY-XFXZXTDPSA-N 390.180 3.542 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 1089206 XEFSYFAXCVMLQM-BUVRLJJBSA-N 398.938 3.768 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1OC 5361089 KBOBRHIOUWNWHO-KEBDBYFISA-N 378.881 3.741 50 40 GHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2c(c1)OCCO2 1437589 QTFYOPHNNBMJEX-OEAKJJBVSA-N 376.412 3.774 50 40 GHGB O=[N+]([O-])[C@@H](Br)[C@H](Br)c1ccc(Br)cc1 101051492 YGWKBNIOJQYVQW-HTQZYQBOSA-N 387.853 3.883 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1OC 4560633 WCVUBRNMCLGFOO-ZVHZXABRSA-N 377.444 3.809 50 40 GHGB COc1ccc([C@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1 409312335 FPKGFYPBXZPLPV-QGZVFWFLSA-N 395.440 3.875 50 40 GHGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1 409144351 NWGPNXVYSIQLBQ-HNNXBMFYSA-N 395.484 3.861 50 40 GHGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1 3211485 DARLTACDCZYYSJ-CAOOACKPSA-N 382.601 3.775 50 40 GHGB CN1/C(=C(\C#N)C(=O)COc2ccc3ccc(=O)oc3c2)Sc2ccccc21 103055519 PQOAVOLZIHEGOT-QNGOZBTKSA-N 390.420 3.718 50 40 GHGB Cc1c(C(C)C)c2ccccc2n1CC(=O)NNC(=O)CCc1ccccc1 4675465 VXTXWRWFSPNUMP-UHFFFAOYSA-N 377.488 3.853 50 40 GHGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OCC 5130199 FPKKVUZMNFUGEX-MRXNPFEDSA-N 382.464 3.723 50 40 GHGB C[C@@H]1C[C@H](C[C@@H]2CC[C@H](NC(=O)CCl)[C@H](C)C2)CC[C@@H]1NC(=O)CCl 6183233 VXWXNPYLHIYPKY-KPLDXPABSA-N 391.383 3.696 50 40 GHGB Cc1ccsc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 6257140 NCKRLVCEZXZDFD-WSDLNYQXSA-N 375.453 3.675 50 40 GHGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)c1 16194127 YEAMLOTUOACDIX-SSDVNMTOSA-N 383.791 3.546 50 40 GHGB COc1ccc([C@H]2CC(=O)N3CN(C4CCCC4)CSC3=C2C#N)cc1OC 20348153 YSBMLQDYPQDKCL-MRXNPFEDSA-N 399.516 3.661 50 40 GHGB O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)c1cccc(O)c1 408858343 YKIYTGDOGFZXAM-NDENLUEZSA-N 384.233 3.709 50 40 GHGB CCOc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC)cc2c1 925161 GCDZBZJVONQYAR-KRWDZBQOSA-N 399.834 3.542 50 40 GHGB Cc1nc2ccccc2c(=O)n1-c1ccc(N(CCCl)CCCl)cc1 1731953 IHFIGAUQODHCJO-UHFFFAOYSA-N 376.287 3.978 50 40 GHGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 5481013 LLGFMYZHAHJKHV-BUVRLJJBSA-N 387.439 3.988 50 40 GHGB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/NC(=O)c1ccccc1O 6901806 GSYMTCJUPAMMLK-UFFVCSGVSA-N 389.242 3.957 50 40 GHGB C#CCN1C(=O)/C(=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 18144864 GWSKLJGEQIDLND-OTSMZHERSA-N 399.494 3.588 50 40 GHGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 58912634 JJHDYOAURIYQOE-YDZHTSKRSA-N 394.862 3.836 50 40 GHGB Cc1nc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)sc1C 100868264 XGFAFRIQQSPSTB-HNHYXYPQSA-N 385.327 3.857 50 40 GHGB O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1ccc(Br)cc1 408947448 AXJRMNNIBNRCBR-UNOMPAQXSA-N 376.254 3.796 50 40 GHGB N#CC1=C(SCC(=O)Nc2cccc(F)c2)NC(=O)C[C@@H]1c1ccccc1F 3248537 YWOIPLOYVIOVNH-OAHLLOKOSA-N 399.422 3.675 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)c1 4942359 KGFKKYYYAGLJKQ-QGZVFWFLSA-N 395.459 3.845 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1 98067964 UTTIFBWRAYVUEQ-UYRXBGFRSA-N 386.407 3.957 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2ccc(C)cc2)nnc1-c1ccc(C)cc1 1250571 KUHSFMWDOLBDBX-LPYMAVHISA-N 393.516 3.824 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)=O 5481185 WDGCZFXLHZNKKQ-AWQFTUOYSA-N 381.215 3.691 50 40 GHGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1ccccc1 9483442 ROLVPOJAVCUDCQ-HZHRSRAPSA-N 389.411 3.867 50 40 GHGB N#C/C(=C/c1cc(Br)cs1)C(=O)Nc1cccc(C(=O)O)c1 108288094 PPGPGWUYFSWFCK-YHYXMXQVSA-N 377.219 3.754 50 40 GHGB CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408797803 UANHJBNVNPDTLU-LFIBNONCSA-N 397.862 3.789 50 40 GHGB COc1ccc(SCC(=O)N/N=C\c2ccc(Br)s2)cc1 409000509 TVUAZJFRXQVDRY-PXNMLYILSA-N 385.308 3.762 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(OCCC)c1 3371500 UBNFTCYSAOCLNL-LPYMAVHISA-N 384.432 3.757 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 2319454 NQPKKDDFNJWPEZ-LPYMAVHISA-N 393.516 3.848 50 40 GHGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccsc2)C(C#N)=C(N)O3)cc1OC 5461963 GRWZMPPSWAZCGA-MRXNPFEDSA-N 394.456 3.764 50 40 GHGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)c3ccccc23)c1 4711203 AVFLHMGAGZICDR-XNTDXEJSSA-N 389.411 3.670 50 40 GHGB CCCc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 7404841 BPUACOMEXNDGFD-UHFFFAOYSA-N 392.546 3.593 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 408528506 HUDLAUGOBVCUKE-FSJBWODESA-N 377.400 3.515 50 40 GHGB O=C(c1ccc(Br)c(F)c1)[C@@H](Br)CBr 307747861 ADSYASZEYJNPGQ-ZETCQYMHSA-N 388.856 3.929 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCC#N 408970698 CBHKMOMUQXGQSF-YDZHTSKRSA-N 393.399 3.506 50 40 GHGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 3170255 MUQQVRHSODUNJM-PXLXIMEGSA-N 398.463 3.750 50 40 GHGB O=C(Nc1nccs1)[C@@H](Br)Cc1ccc(Br)cc1 944611 OJQGQKMJCCCNCZ-JTQLQIEISA-N 390.100 3.850 50 40 GHGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc21 409171278 ZVSTYJSJPLIKOT-BHGWPJFGSA-N 396.878 3.756 50 40 GHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1C 408972008 NPSIBNZRXLWFFB-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)OCC)cc1OCC 97990446 DWHAAVNTSNKZQO-JYRVWZFOSA-N 380.238 3.883 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 5953569 OJWOVQCLISUDSB-HYARGMPZSA-N 377.400 3.695 50 40 GHGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 7385752 DCYIDSUCAYJSQY-LPYMAVHISA-N 387.867 3.721 50 40 GHGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC 657939 KYLYBFZEDHUFMO-SRZZPIQSSA-N 376.840 3.828 50 40 GHGB Cc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1O 849673 INWWQXMBMTURAV-KEBDBYFISA-N 399.248 3.617 50 40 GHGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4)CC(=O)N3C2)cc1 2323599 AHOZLDKDAZQHQS-GOSISDBHSA-N 377.469 3.915 50 40 GHGB C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 4156449 DJVOCMGQCQHGQK-DTBYOGDJSA-N 389.377 3.831 50 40 GHGB CC[C@](C)(CC(=O)NNC(=O)c1ccccc1O)Cc1nc2ccccc2s1 9454658 IENGGXSBPZGNNQ-OAQYLSRUSA-N 397.500 3.812 50 40 GHGB Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N32)cc1 12275114 KTLLBZVXIIGHGJ-UTKZUKDTSA-N 380.444 3.777 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)cc1Br 100231074 AFPJHKUEMYEVQI-LCLLIYHQSA-N 378.314 3.792 50 40 GHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1 408792018 GPQUCPSHXSUFDT-GXDHUFHOSA-N 385.217 3.781 50 40 GHGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1 409206899 QYGOBMAFIHTBMS-JEWPKMHUSA-N 394.434 3.895 50 40 GHGB O=C(N/N=C(/CNC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 18191635 WLQBELRHTHRIQK-QQTULTPQSA-N 391.858 3.904 50 40 GHGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408807793 LBJHTSXNBWDNNL-NTEUORMPSA-N 381.775 3.806 50 40 GHGB C/C(=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(C#N)cc1 34721135 XXKBBJQKXTWIRJ-HOEBFWFUSA-N 382.638 3.650 50 40 GHGB O=C(N/N=C\c1cccc2ccccc12)C(=O)N/N=C/c1cccc2ccccc12 17313565 KPYCHFOQJHKCSM-WFOJNGAISA-N 394.434 3.593 50 40 GHGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)cc1 646931 KIJYYLXJEUTJHX-GOSISDBHSA-N 388.427 3.702 50 40 GHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1c[nH]c2ccccc12 4750813 PYVIQRZUPUKDHU-VULFUBBASA-N 394.434 3.786 50 40 GHGB Cc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2ccccc2)c(Br)c1 6683847 NMXPSQCVPOOVKT-GDNBJRDFSA-N 399.244 3.846 50 40 GHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C)nc3)o2)cc1 13584465 ODZLIJCWGKEMNA-YDZHTSKRSA-N 377.400 3.591 50 40 GHGB Cc1cc(C)c(OCC(=O)N/N=C\c2cc(C)ccc2O)c(Br)c1 20100941 KTTONYGZVHRWMQ-UKWGHVSLSA-N 391.265 3.609 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1 24560612 YHCXTYVCJVSHTL-UHFFFAOYSA-N 380.423 3.518 50 40 GHGB O=C(NCc1cn2cc(Cl)ccc2n1)NNc1ccc(OC(F)(F)F)cc1 45491410 JMTRROLCZUDCKL-UHFFFAOYSA-N 399.760 3.713 50 40 GHGB CCOc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc1Cl 408781857 CNEYXASQIVJSET-CECNCDNBSA-N 391.862 3.946 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCC(=O)O 408794821 TUWALNOTXPSFPV-GZTJUZNOSA-N 394.427 3.657 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SCCS1 409270995 SMBZHBPMADKHEC-YBFXNURJSA-N 390.486 3.681 50 40 GHGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Cl 409321249 HDVOZCMQODJPPL-XKZIYDEJSA-N 386.835 3.523 50 40 GHGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccco3)cc2)cc1 5892323 JNTYXVBZINKCJU-BUVRLJJBSA-N 391.427 3.623 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OC 8043429 BISPTBNEQDSELX-RGVLZGJSSA-N 391.265 3.929 50 40 GHGB CSc1ccc([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 13739530 OYLVDKJTQOSNDG-WOJBJXKFSA-N 389.528 3.542 50 40 GHGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 15938186 DZVPLVXWQLZMJU-KEBDBYFISA-N 385.763 3.509 50 40 GHGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)O 33783544 HUXZGZQIZZFPFX-OVCLIPMQSA-N 377.400 3.716 50 40 GHGB Cc1cc(C(=O)NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)c(C)o1 36892736 WCICNVHVOKXVBI-UHFFFAOYSA-N 381.413 3.841 50 40 GHGB CC1(C)CC(=O)C/C(=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)C1 101493448 QMVZPQBEXCUEEI-UUYOSTAYSA-N 398.290 3.964 50 40 GHGB Cn1cccc1P(=NC(=S)N1CCCC1)(c1ccccc1)c1ccccc1 102134534 RJVXDDMMXSBNRA-UHFFFAOYSA-N 393.496 3.883 50 40 GHGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl 408586514 NMOGUIDUBNDHMP-CAOOACKPSA-N 382.601 3.775 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 408589989 NTLRSSSNSQAIEM-VMHRPQTGSA-N 381.863 3.931 50 40 GHGB COc1cc(OC)c(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1Br 408979460 QQNOEIAXIKFMPN-AWNIVKPZSA-N 390.237 3.527 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 409002204 ZAMQPUJEKSKBBR-XKZIYDEJSA-N 392.415 3.775 50 40 GHGB Cc1cc2ccccc2nc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 902883 LBBPPNBUIAQKDV-UHFFFAOYSA-N 385.876 3.750 50 40 GHGB COc1cc(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1O 3195363 NNYDDGKRHYCGLK-QGMBQPNBSA-N 383.629 3.581 50 40 GHGB COc1ccc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1OC 3208188 SGJCEXCRHKBWSP-WCEDTRLTSA-N 379.460 3.731 50 40 GHGB CCCC/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 4695810 IDYJJHHQXSHILA-JZJYNLBNSA-N 384.392 3.756 50 40 GHGB Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)NCCCl)c2)c(C)c1 4865375 CKUCDUPKFYBWNE-UHFFFAOYSA-N 395.912 3.773 50 40 GHGB COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(OC)c1OC 7993705 VIYPQPJVXAPJPA-KEBDBYFISA-N 394.880 3.608 50 40 GHGB CN(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2OC(F)(F)F)cc1 12638310 KLKNTGWLXNCFOV-LFIBNONCSA-N 389.377 3.875 50 40 GHGB COc1cc(/C(C)=N\NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)ccc1O 13714327 CMZCRTBYECFLAZ-OCKHKDLRSA-N 390.852 3.660 50 40 GHGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(CC(N)=O)c2ccccc12 35386587 RWIGNKARVLVHCB-ZROIWOOFSA-N 392.846 3.634 50 40 GHGB COc1ccc(NC(=S)NNC(=O)c2cc3cc(Cl)ccc3o2)cc1 408587959 VFHLFERQYVFDJY-UHFFFAOYSA-N 375.837 3.726 50 40 GHGB COc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCC#N 409369639 DIUAVXYRMUPXHP-SSDVNMTOSA-N 383.791 3.761 50 40 GHGB BrC[C@@H]1CNC(=[N+](Cc2ccccc2)Cc2ccccc2)S1 4088108 PRDPHZWMUKUXII-QGZVFWFLSA-O 376.343 3.855 50 40 GHGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)NCCCn1ccnc1 26770723 MIEBKVIKCKLMMR-NTCAYCPXSA-N 380.835 3.910 50 40 GHGB Cc1ccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)o1 59459343 AAJZUGGXVLRURA-KEBDBYFISA-N 391.265 3.758 50 40 GHGB O=C(NNC(=S)NCCCc1ccccc1)c1ccc(Cl)cc1Cl 408588756 YJUZKPUYNMQERW-UHFFFAOYSA-N 382.316 3.735 50 40 GHGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 408591861 VRUKUBKMQSFXLH-SSDVNMTOSA-N 383.835 3.622 50 40 GHGB CC(=O)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 409017726 VRLUPCXAKFJZOC-UFWORHAWSA-N 382.203 3.951 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1Cl 657618 OXYLGLRRBFTEET-DJKKODMXSA-N 397.656 3.884 50 40 GHGB Cc1ccc2nc(SCC(=O)N/N=C/c3ccc(O)cc3O)cc(C)c2c1 871026 MWZFGNVSVZHUGE-UFFVCSGVSA-N 381.457 3.505 50 40 GHGB CCC(=O)O[C@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br 1614608 MHTNNNUSJAXYQC-UHLUBPPHSA-N 394.059 3.956 50 40 GHGB COc1ccc(OC)c2sc(NNC(=O)c3nc4ccccc4s3)nc12 4121480 ORYDNYGRFDGWSY-UHFFFAOYSA-N 386.458 3.680 50 40 GHGB CCc1ccc(OCCCOc2c(/C=N/NC(=O)OC)cccc2OC)cc1 4545188 DMJNRGOISAQPJV-PXLXIMEGSA-N 386.448 3.795 50 40 GHGB Cc1ccc(-n2nc(C)c(/C=N/NC(=O)Cc3csc(C)n3)c2Cl)cc1 6945168 YYIRYUFCSFVAAL-AWQFTUOYSA-N 387.896 3.600 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)c(C)c1 20194847 JPWVKSGRKPYCMU-VXLYETTFSA-N 390.237 3.667 50 40 GHGB Cc1cc(C)nc(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n1 21127227 QMLYXLYKGGZWPZ-UHFFFAOYSA-N 375.791 3.606 50 40 GHGB CCOc1ccc(OCC)c(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)c1 38654622 WSEJBUBRFXNRHU-UHFFFAOYSA-N 388.420 3.913 50 40 GHGB O=C(CCCCc1ccc(Br)cc1)NNC(=O)c1ccccc1F 40128797 QPUQJGUAUPVRSV-UHFFFAOYSA-N 393.256 3.762 50 40 GHGB O=C(Cc1csc(=Nc2cccc(C(F)(F)F)c2)[nH]1)N/N=C/c1ccco1 408842244 JMWTUOIIMDANPW-ZVBGSRNCSA-N 394.378 3.613 50 40 GHGB C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 409137166 VKXIIUYQJVCJOF-MGPQQGTHSA-N 389.546 3.609 50 40 GHGB O=C(Cc1ccc(F)cc1)N/N=C/c1cc(Br)cc(Cl)c1O 409243809 UQZHWKOGYARDDE-UFWORHAWSA-N 385.620 3.640 50 40 GHGB CC[C@@H]1C(C#N)=C(S[C@H](C(N)=O)c2ccccc2)NC2=C1C(=O)CC(C)(C)C2 2275206 QVCRVHJDEHAJKJ-KUHUBIRLSA-N 395.528 3.954 50 40 GHGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cc(F)c(F)cc1Cl 6220278 VVAAFDXSWBZDJC-UHFFFAOYSA-N 382.838 3.986 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 6380575 BFJYRMLAAABZRG-CIAFOILYSA-N 395.371 3.636 50 40 GHGB CCOC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 9087038 RJDNUPCKXWQMLL-JTQLQIEISA-N 385.272 3.628 50 40 GHGB O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 32223223 FLQPFINLOAYBGJ-HMAPJEAMSA-N 375.384 3.938 50 40 GHGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408762687 LTVCRVRAFHNQAI-CIAFOILYSA-N 379.372 3.936 50 40 GHGB Cc1cccc(-n2cccc2/C=N\NC(=O)COc2cccc3cccnc23)c1 409014229 HDIOCVJKNGMMMC-MYYYXRDXSA-N 384.439 3.863 50 40 GHGB COc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(N(C)C)cc1 59104181 DCEVYHSLFQQXHK-JCMHNJIXSA-N 377.448 3.708 50 40 GHGB Cc1ccc(C(=O)NNC(=O)C(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 4092554 PQPDWNVDBGRGFJ-UHFFFAOYSA-N 397.434 3.787 50 40 GHGB CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21 20194542 NBSBZMTWOFVPJG-ZMOGYAJESA-N 391.471 3.514 50 40 GHGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 408874960 GQAWEYURHDWQBM-SSDVNMTOSA-N 394.258 3.871 50 40 GHGB C#CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 33541878 RKRVQNQHZZZZCS-BUVRLJJBSA-N 388.423 3.633 50 40 GHGB CC1=CC[C@](C(=O)O)(C(=O)N/N=C/c2ccccc2)[C@H](c2ccc(F)cc2)C1 1096728 AMEKPZDRILJLHP-ADILIXOZSA-N 380.419 3.871 50 40 GHGB COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 1429350 FAJKCMJCURJYDK-HZHRSRAPSA-N 389.411 3.886 50 40 GHGB COc1cccc(/C=N/NC(=O)c2ccc(CNc3ccccc3)cc2)c1O 2760845 FTCWCIBVDVVWJW-BUVRLJJBSA-N 375.428 3.777 50 40 GHGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 3116205 ODWLSRUVEWKIGH-BHGWPJFGSA-N 399.809 3.619 50 40 GHGB COc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)CCCl)n2)cc1 4215109 YOGLTFLOJZGQTM-OAHLLOKOSA-N 380.897 3.960 50 40 GHGB COc1ccc(C2=NN(C(=O)CCl)[C@H](c3cccc(OC)c3OC)C2)cc1 4524900 CALVCCFLARCGNI-KRWDZBQOSA-N 388.851 3.629 50 40 GHGB CCCc1[nH]nc2c1[C@H](c1c(C)nn(-c3ccccc3)c1Cl)C(C#N)=C(N)O2 4592577 URURHPPMVQFUJU-INIZCTEOSA-N 394.866 3.728 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3Cl)o2)cc1 6169712 LIYUSJYUAXUOAA-SSDVNMTOSA-N 383.791 3.546 50 40 GHGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@H]1c1ccco1 9012266 ANUDFOANGWMVCP-CYBMUJFWSA-N 387.848 3.644 50 40 GHGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1Cc1ccco1 13264687 ODKOQEVYVNVVTH-WOJGMQOQSA-N 389.411 3.990 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 20102488 SJSDBEKLINZORT-UFFVCSGVSA-N 376.840 3.503 50 40 GHGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1F 58914541 FVHORRQUTCXWFP-JJFYIABZSA-N 385.782 3.828 50 40 GHGB CCOc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(=O)Nc1ccc(C)cc1 408541520 BTZYAHKJOLTXIK-YBEGLDIGSA-N 395.484 3.604 50 40 GHGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl 408873712 WLCJFBQRSCRRHM-UWVJOHFNSA-N 398.202 3.683 50 40 GHGB CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccccc1 1793836 NGNMSMMNHTVNPZ-TZLYQZOHSA-N 391.500 3.873 50 40 GHGB COc1cccc(/C=N/NC(=O)CSCc2ccccc2Cl)c1OC 5361700 SGDLMRUONCRYKD-KEBDBYFISA-N 378.881 3.741 50 40 GHGB COc1ccc(C(=O)N/N=C(\C)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 7979900 RYRHYPUZQMGOIW-LPYMAVHISA-N 378.384 3.807 50 40 GHGB CC1(C)[C@]2(C(=O)Nc3ccc4c(c3)OCO4)CC[C@@]1(C)C(=O)[C@@H]2Br 11990785 VDMURGWMUKEYRQ-DOPJRALCSA-N 394.265 3.513 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1COc2ccccc2O1 13617338 IDVWDQOWVZLHMK-SNINMWPCSA-N 382.803 3.890 50 40 GHGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 408542872 OJBVDTGTINKAOE-WCIBSUBMSA-N 377.183 3.943 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SCCS1 409366730 XTWNGJBXZOWVBW-WOJGMQOQSA-N 391.474 3.891 50 40 GHGB Cc1ccc(C(=O)NNC(=O)CSc2nc3ccc(C)cc3cc2C)cc1 915619 CJBORMOJZVOXPE-UHFFFAOYSA-N 379.485 3.713 50 40 GHGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1OCC(N)=O 12818289 YTNUATKEJQRVIG-WUXMJOGZSA-N 399.859 3.887 50 40 GHGB COc1cc([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)ccc1O 20238035 WSXLEPBOYKMCRD-MRXNPFEDSA-N 399.516 3.748 50 40 GHGB CCOc1cccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c1O 30937475 LYJFMVDZTVAONO-UFFVCSGVSA-N 376.840 3.590 50 40 GHGB C=CCNc1nnc(SCC(=O)N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)s1 104459562 CZPNAKVMRZGWGI-TZCGGTEVSA-N 379.555 3.547 50 40 GHGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2Br)o1)C(N)=O 252494822 OFTAZJKLPMLSNX-YVMONPNESA-N 396.038 3.864 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1 408588847 JZXBBSRTIWNDPP-YDZHTSKRSA-N 375.428 3.516 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)OCCO1 408726071 PJRMVJRWWIEHDI-KEBDBYFISA-N 383.231 3.857 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1cc2ccccc2o1 409106081 MGVGGKXMBAZCFE-UCQKPKSFSA-N 393.443 3.814 50 40 GHGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O 2412244 VWMALAJOOAYSDG-FOWTUZBSSA-N 389.411 3.574 50 40 GHGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2ccc(OC)cc2)c1O 5711618 YWDFWRPCVVAYEM-AWQFTUOYSA-N 383.231 3.870 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Br)c1OCC 17077901 UKYAHJQROBCWRM-NTUHNPAUSA-N 381.270 3.678 50 40 GHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H](C)SCc1ccccc1 30835577 WEXHXAIDWDARIE-QLPFJNHISA-N 394.500 3.658 50 40 GHGB O=[N+]([O-])[C@H](Br)[C@@H](Br)c1ccc(Br)cc1 101051494 YGWKBNIOJQYVQW-YUMQZZPRSA-N 387.853 3.883 50 40 GHGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccccc1C(F)(F)F 107884019 ZLRIHKVCUKTODF-OPEKNORGSA-N 397.356 3.969 50 40 GHGB CCN1C(=O)/C(=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 111067075 GJVRIWJDRNOKOT-PTLTXODJSA-N 389.499 3.975 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408667141 QHGFZXNDOWRZDY-OAHLLOKOSA-N 376.368 3.707 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1cccnc1 408678415 YUTFMMLUDYNHBF-MFKUBSTISA-N 387.487 3.853 50 40 GHGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1 408761765 BIDAERLJRUTYRZ-GXDHUFHOSA-N 385.217 3.920 50 40 GHGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)OC)o2)cc1 409363891 OKSTYYSJDGSEJL-BUVRLJJBSA-N 390.439 3.988 50 40 GHGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1Cl 4539942 KTEICSUKOMITBS-SWEXZPIWSA-N 397.887 3.560 50 40 GHGB O=C(N/N=C/c1cc(Br)cs1)c1ccc(N2CCCC2)cc1 7386299 ZHSUONDWKJSCDE-VCHYOVAHSA-N 378.295 3.875 50 40 GHGB O=C(O)CSC/C(=N/NC(=O)c1ccc2ccccc2c1)c1ccccc1 12346653 DVUJEXNRDQUDDK-QOCHGBHMSA-N 378.453 3.792 50 40 GHGB CCOC(=O)/C(C#N)=C\C(C)=C\C(C)=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17139583 ICKAYMRQKSQOGB-VKEZSEOLSA-N 386.364 3.778 50 40 GHGB O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(C(F)(F)F)c1 59922330 AQDZFQKGDHIHGY-DNTJNYDQSA-N 387.155 3.937 50 40 GHGB CCCS[C@]1(c2ccccc2)OC(/N=C/N(C)C)=C(C#N)C1=C(C#N)C#N 100251544 MTPIVLNFKJWGLQ-PGLVWIQMSA-N 377.473 3.682 50 40 GHGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(N2CCCC2)c(F)c1 409095925 DXJSAMHSPVMMQB-UUYOSTAYSA-N 375.831 3.608 50 40 GHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 409386345 MSGLYACOIXSCHE-PTNGSMBKSA-N 376.372 3.950 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)c1cccc(Br)c1 823304 MMLLNNQYOFNDFD-RQZCQDPDSA-N 382.055 3.976 50 40 GHGB CCN(Cc1cccs1)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 9532462 XPSRDFRJMOEXDP-GFCCVEGCSA-N 377.535 3.811 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1O 255133314 IIDRUYVTKGLOKP-NVNXTCNLSA-N 386.835 3.676 50 40 GHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(OCC)c1 408540994 AOTXBPQSUMWCFL-YBEGLDIGSA-N 380.400 3.728 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1C 408952529 LULASSBTBVJJRS-MFKUBSTISA-N 389.503 3.722 50 40 GHGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 408996828 FEZWYCJNVUEJIF-QRVIBDJDSA-N 375.428 3.516 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)o1 409189865 UKPBDCAUTNTJSM-RAXLEYEMSA-N 381.388 3.829 50 40 GHGB Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)cc1 653685 RPFNFNVUEHJHDU-KBPBESRZSA-N 377.872 3.909 50 40 GHGB Cc1cc(C)c2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(=O)[nH]c2c1 876525 HCRUWPUHEOHANT-IBGZPJMESA-N 389.455 3.596 50 40 GHGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@@H]1c1ccc(Br)cc1 1620227 GTRRWYMZCUABKR-QGZVFWFLSA-N 382.261 3.834 50 40 GHGB O=C(O)c1ccccc1-c1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1 4194831 NQOJGSFBFYUQMU-UHFFFAOYSA-N 377.356 3.717 50 40 GHGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 6543534 AWMOCJLPWGADOK-INIZCTEOSA-N 392.430 3.573 50 40 GHGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 7649921 RVYUYKCAZBPVBB-SJORKVTESA-N 392.455 3.530 50 40 GHGB COc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 83260244 ZJRSQGJYHDFZNP-MTJSOVHGSA-N 379.372 3.936 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)c1 408853565 PPJGLCXZBCPBGU-WSDLNYQXSA-N 378.384 3.726 50 40 GHGB O=C(O)COc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1Cl 408859013 SAZSJLXXJFXNNQ-UWVJOHFNSA-N 382.203 3.612 50 40 GHGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(C#N)cc3F)c2c1 408965176 GSKMMWRIPYHKRU-WYMPLXKRSA-N 377.375 3.632 50 40 GHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1 408976640 BMCJOXODWWICRO-ORWNMUSCSA-N 391.830 3.807 50 40 GHGB Cc1cccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)c1 409002526 OGYYEWBBKWYBDY-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OC 409311845 BSNYVLWVCBEWOL-HMAPJEAMSA-N 386.448 3.655 50 40 GHGB CCOc1ccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 826154 FHJJFVILCRENEW-SRZZPIQSSA-N 394.258 3.871 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 1083373 ATICDNXIRWVCNN-KOEQRZSOSA-N 388.467 3.860 50 40 GHGB CC(=O)N/N=C/c1cc(Br)ccc1OCCOc1ccc(C)cc1 4511625 OZSGUVLWNAMNJJ-UDWIEESQSA-N 391.265 3.685 50 40 GHGB CO[C@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1C)c1ccccc1 4525823 AYVMIVGWNFDEQM-WQZUMXOESA-N 387.867 3.857 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)c3ccccc23)cc1 4959613 JYPFUZLNEHZZDK-PTNGSMBKSA-N 389.411 3.670 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccncc1 6044060 CFTMRHIZGUZSFH-WQRHYEAKSA-N 386.411 3.733 50 40 GHGB CCN(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc(C)cc1 8051091 IPZAFCUCZUELTA-UHFFFAOYSA-N 398.466 3.865 50 40 GHGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1cccnc1 9457698 CMOYQWFLLMVCOH-LGJNPRDNSA-N 399.454 3.566 50 40 GHGB COc1ccccc1O[C@H](C)C(=O)NNC(=O)Nc1cccc(Cl)c1Cl 17081411 RLCNZQZODOBADA-SNVBAGLBSA-N 398.246 3.622 50 40 GHGB COc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OCc1ccccc1 30803156 AREYOLSKCJGTJW-CFRMEGHHSA-N 375.428 3.742 50 40 GHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 408884510 XKMUTKNLIVUNQT-FOWTUZBSSA-N 394.431 3.995 50 40 GHGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 5119738 RPUMEKMXMQKAPF-XSFVSMFZSA-N 399.497 3.703 50 40 GHGB O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc([N+](=O)[O-])s1 5604566 QGQIHLYYVSTBMO-NDENLUEZSA-N 381.413 3.852 50 40 GHGB C[C@H]1C[C@@H](C[C@@H]2CC[C@H](NC(=O)CCl)[C@H](C)C2)CC[C@@H]1NC(=O)CCl 6183763 VXWXNPYLHIYPKY-NEXGVSGLSA-N 391.383 3.696 50 40 GHGB Cc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C)c3)c2)cc1 8372184 ZJNGNDLLJSIWBH-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 40161138 LDENKAIHJGBXQD-ZROIWOOFSA-N 397.387 3.556 50 40 GHGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)C(N)=O 408987559 BGUXLZRWTMPFRO-NTEUORMPSA-N 376.397 3.686 50 40 GHGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cccc(OCc2ccccc2)c1 409271637 VQNYRCHSBSCYPM-ZVHZXABRSA-N 388.423 3.687 50 40 GHGB Cc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)cc1 12275062 JNKMZEXSXDWIGE-HRAATJIYSA-N 380.444 3.777 50 40 GHGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1F 32138937 ZZQVGCGCYGLDNI-JJFYIABZSA-N 380.335 3.685 50 40 GHGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccc(C)c1 59488923 ZXGTUGPKKSCBDE-VQHVLOKHSA-N 386.267 3.535 50 40 GHGB Cc1ccc(CN2C[C@@H](C(=O)NNc3ccccc3C(F)(F)F)CC2=O)cc1 68772976 PLAXPHPXMOQWKF-HNNXBMFYSA-N 391.393 3.506 50 40 GHGB CCCCCCCC[C@H](C[Si](OC)(OC)OC)[Si](OC)(OC)OC 198363685 GNBPMOQUHWCSGK-MRXNPFEDSA-N 382.646 3.863 50 40 GHGB C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 409137167 VKXIIUYQJVCJOF-MJBXVCDLSA-N 389.546 3.609 50 40 GHGB N#Cc1ccc(CNC(=S)P(=O)(c2ccccc2)c2ccccc2)cc1 2577632 SOMCWBGTZMCDMJ-UHFFFAOYSA-N 376.421 3.947 50 40 GHGB O=C(N/N=C/c1ccccc1I)c1c[nH]c2ccccc12 2748418 MWSRFZUYZFVMHW-DJKKODMXSA-N 389.196 3.536 50 40 GHGB CCOC(=O)c1cn(CCCCl)c2cc(C(F)(F)F)c(F)cc2c1=O 199731537 CUCWPVBFXSWMLM-UHFFFAOYSA-N 379.737 3.965 50 40 GHGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1 408882646 PWZOFHIGDLPXPF-HYARGMPZSA-N 389.367 3.578 50 40 GHGB CN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccccc2)C2=C1CCCC2=O 409122966 CTPFCTQOPWVLMW-JOCHJYFZSA-N 385.467 3.996 50 40 GHGB COc1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 409199983 GHNRSAKQJHAYQA-UCQKPKSFSA-N 377.444 3.875 50 40 GHGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc1OCC 409360123 LDEUZMVADZTYCE-UCQKPKSFSA-N 384.863 3.752 50 40 GHGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1 1471897 ROMFXAWGKGGYNF-OAQYLSRUSA-N 383.451 3.732 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cccnc3)o2)cc1Cl 15018736 PBDLOPRJKXQHDY-JJFYIABZSA-N 383.791 3.546 50 40 GHGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCOCC2)c1 23776787 OYGGLRVEDODSEC-HKWRFOASSA-N 398.466 3.926 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1 408588263 ISVPLRUKYDKUFH-WYMPLXKRSA-N 393.418 3.655 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC 408788732 FRAFNJZZCMFIGE-WUXMJOGZSA-N 387.779 3.811 50 40 GHGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408800479 MUKJTFNGRKLPCD-SFQUDFHCSA-N 394.427 3.816 50 40 GHGB Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccccc1F 58853148 BKWYGPSSXUICIC-BZLIYVJTSA-N 393.418 3.523 50 40 GHGB C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccccc1C 17079210 FYZWZQQWHFWFGH-VGSSETLESA-N 388.103 3.731 50 40 GHGB COC(=O)COc1c(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cccc1OC 408543829 RMEXUPDQWQBORO-MHWRWJLKSA-N 391.427 3.804 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(O)c1 409392788 RXMZCIUMTWDAOK-SRZZPIQSSA-N 395.371 3.641 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1NC(=O)c1ccccc1 8334519 IAUYATBJVDQGIX-YDZHTSKRSA-N 394.862 3.906 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(OC)c1 7384305 FSBMRYPDDJEVDH-JJIBRWJFSA-N 394.519 3.906 50 40 GHGB CC(C)(C)c1cc(CCC(=O)NNC(=O)c2ccco2)cc(C(C)(C)C)c1O 891846 QMCQTCFNFZDTAB-UHFFFAOYSA-N 386.492 3.974 50 40 GHGB C/C(N)=C(\C#N)C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 104862258 XWPMNLWPLHCMLQ-VKAVYKQESA-N 381.505 3.732 50 40 GHGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 6448655 DEKXKROTMNWMJJ-UHFFFAOYSA-N 380.831 3.847 50 40 GHGB CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 6563480 LLEXTCQJVVRAQU-UHFFFAOYSA-N 389.908 3.587 50 40 GHGB O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cc2cc(F)ccc2[nH]1 12921594 DALRDGRUUSHTOZ-UHFFFAOYSA-N 393.374 3.554 50 40 GHGB Cc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)ccc1N1CCCC1 408858279 YARHYHFJKQPCIZ-IQNNGJFASA-N 396.498 3.803 50 40 GHGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cc2c(Cl)cccc2Cl)c1C 7765258 TVVMPYDNCCLVBC-ZDUSSCGKSA-N 395.286 3.768 50 40 GHGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1O 16449230 NSOCSKGWZWZMLU-JMIUGGIZSA-N 385.763 3.978 50 40 GHGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 16689696 VFRUMLCLMVLELE-MNTXUITRSA-N 397.887 3.512 50 40 GHGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)COc1cccc(Br)c1 103382278 LZRCPTRUDZJWQD-XQSXULBNSA-N 377.282 3.922 50 40 GHGB O=C(c1ccccc1)[C@H](Br)[C@H](C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1664809 JTDZREGXXRJPQT-HUUCEWRRSA-N 393.193 3.602 50 40 GHGB C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 6455136 AHAJEAWLHQRNMN-UXLLHSPISA-N 383.517 3.548 50 40 GHGB N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)NCc1ccco1 17081208 JGHSURIRPRSBMK-MDWZMJQESA-N 397.232 3.656 50 40 GHGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)NC(N)=O 409230057 BACCGFIKWXDNSD-MLPAPPSSSA-N 390.226 3.674 50 40 GHGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408846170 PDWAVWMOCBHNNP-IOMURQGYSA-N 396.498 3.885 50 40 GHGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1OCC 408812337 ONUMUKORUHNCAK-CXUHLZMHSA-N 383.835 3.811 50 40 GHGB CC(C)NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408775217 ZRYXWQPNOYZAGH-ZROIWOOFSA-N 396.359 3.727 50 40 GHGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1 30759572 DKIZNWOZVJIVKI-QYJRXKHCSA-N 397.519 3.895 50 40 GHGB COc1ccc(OCC(=O)N/N=C/c2ccccc2Cl)c(Br)c1 1435044 DADRNLMCHNPDPI-DJKKODMXSA-N 397.656 3.640 50 40 GHGB Cc1cc(C(=O)NNC(=O)CSc2ccc(Br)cc2C)c(C)o1 2638452 QMGQMZRJAQSQDK-UHFFFAOYSA-N 397.294 3.521 50 40 GHGB Cc1cc(Cl)cc(Cl)c1OCC(=O)n1cc(C(=O)NN)c2ccccc21 216863852 JOGGQHJQHZTZDZ-UHFFFAOYSA-N 392.242 3.579 50 40 GHGB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNC(=O)c3cccs3)c12 42217002 DFGDQGBPONNUJJ-UHFFFAOYSA-N 397.504 3.508 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 169880057 WPXWPSRVWUITND-VCHYOVAHSA-N 392.209 3.520 50 40 GHGB IC[C@H]1CN=C(Nc2nc3ccccc3s2)S1 1084891 USFZXIXSRXQPSO-ZETCQYMHSA-N 375.260 3.615 50 40 GHGB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12 2372271 JTLHNBSOIUFSSK-TYVFMTBDSA-N 384.480 3.624 50 40 GHGB COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)c1 5409108 ONQGOUOILZPRNR-SFHVURJKSA-N 388.427 3.621 50 40 GHGB N#C/C(=C\c1ccccc1Cl)c1nnc(N2CCOCC2)n1-c1ccccc1 5525586 HIZQNYZTQWADIW-SAPNQHFASA-N 391.862 3.821 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 6345790 FUVHAWYHEKZMEA-YDZHTSKRSA-N 390.399 3.520 50 40 GHGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1NC(=O)c1ccccc1 8334706 XGLGMVCVYNLOSN-HMAPJEAMSA-N 375.432 3.644 50 40 GHGB COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)c1O 8555654 NWHGZFZTIAEJJR-HNNXBMFYSA-N 394.456 3.687 50 40 GHGB CC[C@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 12580013 YRYCMCNIGOJOAU-QUWSGOTNSA-N 395.459 3.736 50 40 GHGB O=C(COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)Nc1ccccc1 28215623 OCBIHYCJSLORJO-HZHRSRAPSA-N 388.427 3.860 50 40 GHGB CCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33653004 VNUSZMYTLUULQS-HMAPJEAMSA-N 377.400 3.840 50 40 GHGB C#CCOc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 100370710 REIPNCAPRHTYEI-SXGWCWSVSA-N 382.423 3.716 50 40 GHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC 408567511 OBHNOHHXQHPBND-LPYMAVHISA-N 393.399 3.919 50 40 GHGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 408766046 YVBMHWBUVJMMJG-CXUHLZMHSA-N 399.244 3.598 50 40 GHGB COc1ccc2nc(O)c(/C=N/NC(=O)/C=C/c3ccc(Cl)cc3)cc2c1 409060475 VXLKRKBGMZJEPJ-FVJSWTTDSA-N 381.819 3.766 50 40 GHGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(N2Cc3ccccc3C2)cc1 653451 SQQLRXADTFUXLA-WYMPLXKRSA-N 385.423 3.699 50 40 GHGB CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 658737 USGDMXJXLREKEL-IBGZPJMESA-N 382.460 3.935 50 40 GHGB O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccc(O)cc1 2315386 HOQWKZYBIZEEPA-LSFURLLWSA-N 386.770 3.531 50 40 GHGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(F)cc1 5128157 CFEVAQHHSGLABR-SSDVNMTOSA-N 380.335 3.685 50 40 GHGB C[C@H]1C[C@H](C[C@@H]2CC[C@H](NC(=O)CCl)[C@H](C)C2)CC[C@@H]1NC(=O)CCl 6183754 VXWXNPYLHIYPKY-NEMWNAMBSA-N 391.383 3.696 50 40 GHGB CSc1ccccc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 12898348 OWZNHHYVYYJJBL-UHFFFAOYSA-N 382.441 3.655 50 40 GHGB CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\Nc1ccc(F)cc1 13126198 KAFOAVJAABPWKQ-ZHZULCJRSA-N 375.403 3.573 50 40 GHGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC)c(C)c1 16700773 FBIWYUMTEGAUCZ-GHRIWEEISA-N 386.455 3.899 50 40 GHGB CN(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 18173358 COKJOCUWPXZKQF-MHWRWJLKSA-N 384.277 3.738 50 40 GHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 58871160 FWRZDDPSOWEWFJ-RGVLZGJSSA-N 394.343 3.835 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1cc(C(=O)O)ccc1Cl 408998309 UGNTZZPUKJOFHC-UFFVCSGVSA-N 385.807 3.803 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc1OC 1092155 LHKXRLXUANMCIZ-QKIXXSFTSA-N 377.444 3.808 50 40 GHGB COc1ccc(N2CSC3=C(C#N)[C@H](c4cccs4)CC(=O)N3C2)cc1 2342424 XFMAVVIPHIDUBH-OAHLLOKOSA-N 383.498 3.976 50 40 GHGB aggregator Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C(\CCC(=O)O)c1ccccc1 5536173 FYAFXKKTUAUIJX-PFKVCDDJSA-N 388.851 3.801 50 40 GHGB COC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 13596350 APEJNGILAGMXDN-CIJMEZBMSA-N 378.453 3.594 50 40 GHGB O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1Br 4401864 RLTQXOIWZXRECZ-SRZZPIQSSA-N 384.233 3.526 50 40 GHGB CCOc1ccc(SCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12854947 CPYULBSUSYTGOM-UHFFFAOYSA-N 388.533 3.541 50 40 GHGB COC(=O)/C(C#N)=C/c1ccc(OCc2nc3ccccc3nc2C)c(OC)c1 16265352 HZIFGFRNSKXAJS-MHWRWJLKSA-N 389.411 3.606 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)cc1Cl 408586971 DIFPNQHNKDYXBR-WSDLNYQXSA-N 389.883 3.659 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC)c1O[C@@H](C)C(=O)O 409231957 LYJFPNLCCGIWDP-VMOJBDSFSA-N 394.427 3.655 50 40 GHGB O=C(O)c1ccc(-n2cccc2/C=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1 409236102 RAOOSKWBKZYDRQ-JLPGSUDCSA-N 398.422 3.730 50 40 GHGB O=C(NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 825388 ZNJWSSLCQQBWNT-UHFFFAOYSA-N 393.830 3.667 50 40 GHGB COC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2ccccc2C)c1C 871337 YAIDMVPIHSYLPD-UHFFFAOYSA-N 380.853 3.581 50 40 GHGB CCc1ccc(OCC(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 1027695 VQUABBMMYZQLKV-DEDYPNTBSA-N 375.266 3.931 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1 2295414 TUVGJMOCSDPFJK-YZSQISJMSA-N 399.494 3.899 50 40 GHGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccc(Cl)cc4)ncnc32)cc1 7393217 GOVNXDAXAOQRSO-UHFFFAOYSA-N 378.823 3.534 50 40 GHGB CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2O)[nH]n1 8903214 BMESBFQUXNYEAK-HYARGMPZSA-N 378.432 3.725 50 40 GHGB CC(C)c1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1-c1ccccc1 30575792 WRTUSGXVDDDWPN-UHFFFAOYSA-N 399.454 3.619 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 59473548 BQJNVKWWJCWTKU-DQAKUKQTSA-N 378.881 3.988 50 40 GHGB O=C(O)[C@@H](Br)[C@H](Br)c1ccccc1Br 72399680 IOATZQRJTIURPY-SFYZADRCSA-N 386.865 3.733 50 40 GHGB in-vitro Cc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 863644 GFCBAEBRDUBINL-WSDLNYQXSA-N 382.851 3.672 50 40 GHGB CCOc1ccc2ccc(OCC)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c2c1 5444701 KFLHUUISCBIPSO-HXUWFJFHSA-N 390.443 3.887 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1 20885237 DKYBUDGGQYHCHQ-QPSGOUHRSA-N 387.654 3.787 50 40 GHGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(OC)cc(OC)c2)c1C 96669485 XLKQSYKSLRQVHV-CHHVJCJISA-N 382.416 3.615 50 40 GHGB CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)c1ccccc1 97994177 WOALHKCIYDGCCT-JFPYRBRCSA-N 391.471 3.644 50 40 GHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408725516 JOOCBJRUTHNOER-GDNBJRDFSA-N 381.388 3.938 50 40 GHGB CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 408767382 WKKPJTVWQPICOT-CXUHLZMHSA-N 399.244 3.598 50 40 GHGB COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 409100794 VEKWZGUZSKWNBG-MRXNPFEDSA-N 391.210 3.949 50 40 GHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc4c(cc3Cl)OCO4)cc2c1 409186639 FVUOAIFNZFBTAZ-NKVSQWTQSA-N 386.791 3.978 50 40 GHGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(N)=O)cc3)n2)cc1 875678 CHKDHDAUGVTLRP-RVDMUPIBSA-N 376.441 3.894 50 40 GHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1 973701 AEMTVOYVNOFKMD-FSJBWODESA-N 396.878 3.980 50 40 GHGB CCC(=O)O[C@@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br 1614609 MHTNNNUSJAXYQC-WPPNPWJKSA-N 394.059 3.956 50 40 GHGB C/C(CC(=O)NNC(=O)COc1ccc2ccccc2c1)=N\c1ccccc1C 4416241 NUUFFLQWYUYIPY-JJIBRWJFSA-N 389.455 3.857 50 40 GHGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1 4723072 UAOFKCHKNUKUHC-GXDHUFHOSA-N 376.368 3.770 50 40 GHGB CN1/C(=C(\C#N)C(=O)CSc2ccc3c(c2)OCCCO3)Nc2ccccc21 100854143 DEHSBGZTAZKCLT-RCCKNPSSSA-N 393.468 3.806 50 40 GHGB C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1cccc(O)c1 101158821 IESYSICKLHRVBB-FOKLQQMPSA-N 379.338 3.546 50 40 GHGB COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3)c2C)cc1OC 408828176 DDYDGNLFGCLUAY-IWIPYMOSSA-N 391.471 3.804 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)cc1C 409139661 CPQXQOAFCKNSKP-OAHLLOKOSA-N 381.457 3.607 50 40 GHGB Cn1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc21 409348676 SAISIZFULKSATJ-UFFVCSGVSA-N 385.265 3.503 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)c1 1092195 GJOSEHYEDGNOEJ-FVQJWRHTSA-N 377.444 3.808 50 40 GHGB O=C(N/N=C/c1ccccc1I)c1ccc(Cl)cc1 3573694 DWFFXYSCVRWSJD-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)[C@@H](O)c1ccccc1 4905569 VBSLAHXGPCNBKT-NIQDBXHUSA-N 399.790 3.692 50 40 GHGB O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCO3)[C@H]1C[C@@H]1c1ccccc1 5533612 UPQNNUBWDXQODX-WSQOIUJWSA-N 393.830 3.871 50 40 GHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/C=C/c1ccccc1 6998016 FAWLLGWKGYNAGE-IZAVNHFDSA-N 381.435 3.970 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccncc1 7386647 ZEEGFCIDAAFANJ-PCLIKHOPSA-N 387.487 3.853 50 40 GHGB O=C(NNC(=S)NCc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 7821939 VGXUWHUEKNRREX-UHFFFAOYSA-N 395.459 3.927 50 40 GHGB CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 20244084 VTCNGKFUQPBERP-WSDLNYQXSA-N 387.867 3.854 50 40 GHGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccccc2O)cc1OC 35352624 MNZNUKRYIJOLDA-WLQYJRLHSA-N 376.840 3.995 50 40 GHGB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)CC(C)C 100136021 NXMVRCXUCXJUDQ-AQTBWJFISA-N 399.520 3.740 50 40 GHGB CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC 136730460 FOTFVMSRVDIWSS-NHDPSOOVSA-N 392.839 3.528 50 40 GHGB NNC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1 226340756 VWHUFUFSPVJRPT-VOTSOKGWSA-N 381.657 3.685 50 40 GHGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)N2C(=N1)SC(C#N)=C2N 408608320 VUVCCRZKLNJBGY-INIZCTEOSA-N 386.452 3.554 50 40 GHGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)c(C)c2nc1Cl 786960 WWLDKTOKOJYCTA-INIZCTEOSA-N 383.835 3.760 50 40 GHGB O=C(NC1(C(=O)Oc2ccc([N+](=O)[O-])cc2)CCCC1)OCc1ccccc1 1724336 NBQVBNJVXSEFIY-UHFFFAOYSA-N 384.388 3.739 50 40 GHGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 58884700 RHBKLDZGYQDXQA-HZHRSRAPSA-N 389.411 3.576 50 40 GHGB N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1ccc(F)cc1 12275000 KNNYLKORHSIVRB-UZLBHIALSA-N 384.407 3.608 50 40 GHGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCC(=O)c1cccs1 6602192 PNLQFROWSDGOKP-UHFFFAOYSA-N 399.497 3.604 50 40 GHGB CC(C)n1cc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccccc2F)c2ccccc21 409170049 SCNQJIBLMBSLAZ-ZWGXDWAISA-N 394.450 3.630 50 40 GHGB COc1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1 409315352 VCOJUKQOCWIEBW-GOSISDBHSA-N 380.469 3.846 50 40 GHGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)NC1CCCCC1 409087031 ILJACCDYGJAVEF-ATVHPVEESA-N 383.492 3.660 50 40 GHGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1O 30822105 DXKIBOXTUASWAK-OCKHKDLRSA-N 397.656 3.971 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccccc1 4721721 OCAIWJLYRXXTDL-BUVRLJJBSA-N 375.428 3.823 50 40 GHGB COc1cc(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1O 4735336 ZMDKZPOFZOGTME-DJKKODMXSA-N 397.656 3.510 50 40 GHGB C/C(Cc1ccccc1)=N\NC(=O)CCCC(=O)N/N=C(\C)Cc1ccccc1 5725247 BNTCGADDZLJZIO-SIHVKLMXSA-N 392.503 3.626 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(OCC)c1 408962445 SEDBXYQVLAIISK-CIAFOILYSA-N 397.387 3.902 50 40 GHGB CN(C)c1ccc(/C=C/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 408914951 ZXPJBKSZPNDNAV-MYIUBPPPSA-N 399.494 3.804 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)c1C 409142239 WZHLTMCIWKGLKH-CQSZACIVSA-N 381.457 3.607 50 40 GHGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1C#N 408766707 FJWYJAJCYRCNBS-GRSHGNNSSA-N 375.428 3.577 50 40 GHGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 408998955 QYEAWSIETRIMMG-QRVIBDJDSA-N 375.428 3.865 50 40 GHGB O=C(NP(=O)(N1CCCCC1)N1CCCCC1)C(Cl)(Cl)Cl 97998486 WFSSIHOJAHFZLV-UHFFFAOYSA-N 376.652 3.553 50 40 GHGB O=C(N/N=C/c1ccco1)c1ccc(COc2ccccc2Br)o1 1083397 VGWBEUAFGTWAGG-VXLYETTFSA-N 389.205 3.978 50 40 GHGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 714331 AOFFSHWVKLSRHO-HNNXBMFYSA-N 395.758 3.573 50 40 GHGB Cc1ccc2nc(/C(C#N)=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)[nH]c2c1 5387298 ODJXQJYGAZUPNY-LFIBNONCSA-N 389.415 3.680 50 40 GHGB O=C(N/N=C/c1ccccc1O)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 16994653 WMLMJAONQFUIAQ-AWQFTUOYSA-N 375.215 3.853 50 40 GHGB O=C(CSc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 408993972 DYQPKGDEBDRMEW-KGENOOAVSA-N 398.488 3.828 50 40 GHGB Cc1ccc(C(=O)CSC2=C(C#N)C3(CCCCC3)[C@H](C#N)C(=O)N2)cc1 35682032 UOZOKHFQMPUNMF-MRXNPFEDSA-N 379.485 3.866 50 40 GHGB O=C(CCCN1C(=O)S/C(=C\c2ccccc2)C1=O)NNc1ccccc1 1470509 WQFOQIGTGWKJHV-VKAVYKQESA-N 381.457 3.646 50 40 GHGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502521 KURDGUMSDNDNQD-NRFANRHFSA-N 392.411 3.597 50 40 GHGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4953826 JHWUXZCUPDEZKS-MDWZMJQESA-N 385.763 3.580 50 40 GHGB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1c(F)c(F)cc(F)c1F 7015626 DKESKHFVJPQQFU-QFYYESIMSA-N 397.372 3.531 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 8207427 ZJCSTWKAJHEWQW-CIAFOILYSA-N 395.371 3.636 50 40 GHGB N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1c1ccc(F)cc1 12275008 KNNYLKORHSIVRB-JXFKEZNVSA-N 384.407 3.608 50 40 GHGB CC(=O)Nc1sc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1C#N 33656109 ZOMDTBIKFWSJKB-IFRROFPPSA-N 395.271 3.957 50 40 GHGB Cc1c(/C=C(/C#N)C(=O)N(C)C)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 59333860 QTOQHIAUNRZYDZ-ATVHPVEESA-N 388.427 3.901 50 40 GHGB C[C@H]1c2ccsc2CCN1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 84700203 HUSSYGLCIHXRNG-NEPJUHHUSA-N 389.546 3.908 50 40 GHGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 100641404 WRLXJFJGOIUUER-GOSISDBHSA-N 398.440 3.591 50 40 GHGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc2ccccc2c1 101068031 OKDUSIRIXSDCDW-ZVHZXABRSA-N 389.411 3.703 50 40 GHGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccc2ccccc12 408606104 OANXJPKBMSOSFN-GOSISDBHSA-N 390.468 3.788 50 40 GHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 1444731 AASHXIFTJANYJC-FSJBWODESA-N 396.878 3.980 50 40 GHGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N32)cc1 12275301 MUADNTGFQBFBJP-XMSQKQJNSA-N 392.480 3.647 50 40 GHGB CCOc1cc(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1O 83293441 IZFWJCXBHPLPBI-DJKKODMXSA-N 397.656 3.971 50 40 GHGB Cc1cc(C(=O)N/N=C2/C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c(C)o1 102455856 VAHQMBBRXMPUIZ-HIXSDJFHSA-N 391.402 3.716 50 40 GHGB CCOC(=O)/C(C#N)=C\c1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 113834671 CYNYVBOUQQESTE-YBEGLDIGSA-N 382.372 3.652 50 40 GHGB Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)n1 409106046 METHKPQHDTVFKT-JLHYYAGUSA-N 378.413 3.781 50 40 GHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2OC)cc1OCC 409260196 MJPLLFARXOGKCE-LPYMAVHISA-N 386.835 3.523 50 40 GHGB COc1ccc(NC(=O)CSSCC(=O)Nc2ccc(OC)cc2)cc1 1806509 FBGLTQCFIODZAF-UHFFFAOYSA-N 392.502 3.662 50 40 GHGB CCc1ccc(CC(=O)N/N=C\c2ccc(OC)c(Br)c2)cc1 409361615 COQCJQWWFYCNDA-NDENLUEZSA-N 375.266 3.713 50 40 GHGB C/C(=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccncc1 4135906 VGEPGLZAKBXCEZ-QFEZKATASA-N 381.439 3.878 50 40 GHGB O=C(CCl)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408908169 ULWUXMAROMZNEE-UHFFFAOYSA-N 392.786 3.684 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccccc1C#N 409372792 QPQMRIJIZWGSEN-UDWIEESQSA-N 387.439 3.675 50 40 GHGB O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccccc2-n2cccc2)c1 409105875 JMYAJXIDUSCYAY-LFVJCYFKSA-N 398.422 3.730 50 40 GHGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1O[C@@H](C)C(=O)O 409233622 TXCYIGDVLYEZDV-ZCQLHAAUSA-N 394.427 3.710 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)o2)cc1 408526127 AAGRSRKQJOGWCP-ZMOGYAJESA-N 391.427 3.604 50 40 GHGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc(I)cc1 409111411 IPVUJUOZISRUMX-CPNJWEJPSA-N 392.240 3.764 50 40 GHGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1O 985609 YQHWJJQEPKGLRD-SFHVURJKSA-N 388.427 3.708 50 40 GHGB O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1ccccc1C(F)(F)F 17079171 SCWHDERVGQCXEX-UHFFFAOYSA-N 387.745 3.591 50 40 GHGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 409366839 ZFEAEDLENKIECP-FOKLQQMPSA-N 397.818 3.860 50 40 GHGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1cccc(C(F)(F)F)c1 5756903 XZXFTDNTHVXXCQ-DNTJNYDQSA-N 387.155 3.937 50 40 GHGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1O 8109233 YPVUYVVFQYEKBP-UFWORHAWSA-N 385.272 3.950 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 5377420 LLKRBVSRJKSFIP-SRZZPIQSSA-N 392.242 3.647 50 40 GHGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2C(F)(F)F)[C@@H]2CSCC=C12 1052094 UAPYAUOPIUSTSK-ZBFHGGJFSA-N 386.402 3.862 50 40 GHGB Cc1ccc(C(=O)N[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)Cl)cc1 5125431 HSKDIYKOIUGRNB-OAHLLOKOSA-N 385.678 3.938 50 40 GHGB O=C(NNc1ccccc1C(F)(F)F)c1nc(N2CCCC2)ncc1Cl 40153429 UNUWVPLMLPQTEH-UHFFFAOYSA-N 385.777 3.506 50 40 GHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 793948 ZSDAWCHFLYGRQY-RGVLZGJSSA-N 383.795 3.506 50 40 GHGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1453197 CMWHAFOXMZVBKL-FMIVXFBMSA-N 385.876 3.925 50 40 GHGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 3082603 UTEGQTRHWBFSKJ-HZHRSRAPSA-N 389.411 3.867 50 40 GHGB CCOc1cc(/C=N/NC(N)=O)ccc1OCCCOc1cc(C)ccc1C 4600434 FIJXUFOCGFSLPG-OEAKJJBVSA-N 385.464 3.552 50 40 GHGB C[C@@H]1CCc2sc(C(=O)N/N=C3\C(O)=Nc4ccc([N+](=O)[O-])cc43)cc2C1 8489262 MCFOCLMLYVCAKO-SECBINFHSA-N 384.417 3.517 50 40 GHGB C[C@@H](Br)[C@H](Br)[C@H](Br)CBr 95721469 NALIDLUWYFOKFM-WDCZJNDASA-N 387.735 3.692 50 40 GHGB C#CCn1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21 408535694 ZSZOFVSEHGXKJQ-RPPGKUMJSA-N 398.388 3.856 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 408727669 VNXAEVFNXBQCJS-CIAFOILYSA-N 395.371 3.636 50 40 GHGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCC(C)C 409132162 NJCQBBUBMSOUSD-OAQYLSRUSA-N 395.503 3.850 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1O 6958410 KVRURYBTVOWICD-DJKKODMXSA-N 397.656 3.971 50 40 GHGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(I)cc1 10118437 WPZLZVWJGLQBDN-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@@H]1c1ccccc1F 2351434 GCMSMAMFLCGWHK-SFHVURJKSA-N 394.402 3.616 50 40 GHGB Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)N(C)C)c3ccccc32)c1 59335005 BXDSORNPHHHTLY-ATVHPVEESA-N 386.455 3.584 50 40 GHGB C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 4417156 OBMLSAWDCQZECS-PXLXIMEGSA-N 381.432 3.701 50 40 GHGB C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1ccc(N2CCOCC2)cc1 5688959 UGCHUIBBZIDIRL-PXLXIMEGSA-N 383.517 3.618 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)ccc1OC(C)=O 17077710 KUCSJKAXUGBRIR-LFIBNONCSA-N 380.400 3.565 50 40 GHGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OCCC(C)C 8846169 IOUUYAPPXLOZIG-OAQYLSRUSA-N 379.460 3.920 50 40 GHGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(C)(C)C 20059318 SWLHAPNURJROQN-RCCKNPSSSA-N 387.505 3.664 50 40 GHGB CCOC(=O)/C(C#N)=C(/SC)C1=C([C@@H](C#N)C(=O)OCC)CCCCC1 5717535 LMYJCZWXFIKYIG-XNSRXUQDSA-N 376.478 3.654 50 40 GHGB CCOC(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2cccc(Cl)c2)n1 7144160 FFIMJICAMRHVNP-KPKJPENVSA-N 375.837 3.951 50 40 GHGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccc(Cl)c(Cl)c1)OCO2 409095285 HIQNXYIDSOEPGY-ZBKNUEDVSA-N 381.215 3.885 50 40 GHGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNc1ccccc1 5376094 VVZQSKFGCOKSNF-DESBJYGPSA-N 395.509 3.587 50 40 GHGB NC(=O)c1ccc(OC(F)(F)[C@@H](F)Cl)cc1OC(F)(F)[C@@H](F)Cl 1601756 FAANUIINGWBHBL-RKDXNWHRSA-N 386.075 3.798 50 40 GHGB C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502522 KURDGUMSDNDNQD-OAQYLSRUSA-N 392.411 3.597 50 40 GHGB O=C(NCc1ccco1)[C@@H](Br)[C@H](Br)c1ccccc1 2886632 NLEPEARTWRBPDO-OLZOCXBDSA-N 387.071 3.796 50 40 GHGB COc1cccc(-c2[nH]nc3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)c1 5248479 YEHZRXYRTTVRTP-MRXNPFEDSA-N 378.819 3.957 50 40 GHGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cccc(Cl)c1 5401474 GISVAYBIDSSMIS-UFWORHAWSA-N 391.656 3.823 50 40 GHGB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3F)cc1)C(C#N)=C(N)O2 5941109 LERSBMHKTQPPSH-IBGZPJMESA-N 376.391 3.654 50 40 GHGB Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 27201639 PLBXASZJYDEHIJ-AWEZNQCLSA-N 399.878 3.596 50 40 GHGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1 59514887 BTNLYHOFTFBIFB-VXLYETTFSA-N 392.253 3.791 50 40 GHGB O=C(N/N=C\c1ccc(F)cc1)c1ccc(N(CCCl)CCCl)cc1 104047607 ZGYIRHRXHQPFNZ-XKZIYDEJSA-N 382.266 3.874 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c1C 107588734 HSPIPRUBYXKAJT-KEBDBYFISA-N 399.428 3.899 50 40 GHGB CSc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 106715640 WDWQIPAVQKHSST-WSDLNYQXSA-N 375.453 3.672 50 40 GHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)cc(OC)c1O 107965985 QVPPMRZTFDSXNZ-SSDVNMTOSA-N 384.819 3.980 50 40 GHGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408806764 BRYDOQQTVSCVNY-FMIVXFBMSA-N 389.795 3.568 50 40 GHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)O 408798222 VEBJBDRRQYDVLR-LICLKQGHSA-N 394.427 3.711 50 40 GHGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1cccc(C(F)(F)F)c1 408712823 UPGPLDFRNQIVDS-UHFFFAOYSA-N 378.741 3.791 50 40 GHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)cc1 16679782 YUCYXFLGHINMGO-SAPNQHFASA-N 377.444 3.865 50 40 GHGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCO2 7158215 CJTOGRDQXBTJAF-LVAWLBJVSA-N 391.265 3.780 50 40 GHGB C[C@@H](Br)[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 4826174 KOONAXUBBZQRIW-QKMWEODOSA-N 375.310 3.762 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCCCC3)cc2C)n1 6963665 NBALZLNMXKCQML-LPYMAVHISA-N 397.548 3.635 50 40 GHGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccc(C(=O)O)cc1 408727154 OVJVLNZKAJYLMM-WSDLNYQXSA-N 378.453 3.922 50 40 GHGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 20248822 ULRBVKUAPFEWRV-VCHYOVAHSA-N 379.825 3.586 50 40 GHGB COCCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2F)c2ccccc12 5015247 VBSLYHKUDKFNJO-QGOAFFKASA-N 391.446 3.888 50 40 GHGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cn1 1445309 PROVLXVFIJPXJL-WYMPLXKRSA-N 377.375 3.512 50 40 GHGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1ccc(Br)cc1 14923247 UETLECABLHSSEY-SRZZPIQSSA-N 392.228 3.723 50 40 GHGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 7652191 DMAVQHLAZJTVJQ-QFTJCQGQSA-N 379.460 3.838 50 40 GHGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 7932042 HLBDYAATCZMEPV-SRZZPIQSSA-N 395.242 3.684 50 40 GHGB O=C(O)[C@H]1C[C@@H](Br)[C@H](Cc2ccccc2)C[C@@H]1Br 4023545 XVGKYTTWCLHYBW-XQHKEYJVSA-N 376.088 3.867 50 40 GHGB biogenic COc1ccccc1[C@@H]1C(C#N)=C(SCc2ccccc2)NC(=O)[C@@H]1C#N 9012394 NWHPOYYUBVAVIP-APWZRJJASA-N 375.453 3.717 50 40 GHGB Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1096337 GERSEHCJKKLIBX-YDZHTSKRSA-N 390.399 3.520 50 40 GHGB COc1ccccc1/C=N/NC(=O)CSCc1ccc(Br)cc1 5361764 LCSZDJBQVUSPPJ-VXLYETTFSA-N 393.306 3.841 50 40 GHGB O=C(CSc1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1)Nc1ccccc1 716772 YXKALBSIFCDIOF-WSDLNYQXSA-N 397.431 3.913 50 40 GHGB COc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)sc2N)cc1 642562 BTDMQZFFGFYHED-UHFFFAOYSA-N 398.513 3.637 50 40 GHGB O=C(CSCc1ccccc1Br)N/N=C/c1ccccc1F 3088955 YOTXCVNHAONEMF-DJKKODMXSA-N 381.270 3.972 50 40 GHGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(N)=O)cc1 35110135 XTUJDJLEOSHSGI-XUMLYMLNSA-N 397.887 3.560 50 40 GHGB COc1cc(OC)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(OC)c1 107888135 UVPYBEDRTXBHDQ-YDZHTSKRSA-N 394.427 3.638 50 40 GHGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(Br)cc1 409014272 WVGTXEJHQFGJPX-UFWORHAWSA-N 391.656 3.823 50 40 GHGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OC 4453417 AHFICEJSUZJMFX-GOSISDBHSA-N 388.427 3.702 50 40 GHGB C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C/C1=N/NC(N)=O)C2 4104841 OXHIJBISUPBBOF-AXUVKWRVSA-N 375.513 3.898 50 40 GHGB biogenic,in-vitro CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)N3CCOCC3)cc21 208474913 IPWONBFBEJJRGU-SXGWCWSVSA-N 385.895 3.737 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 1684680 RCDGMYPJVTWVFH-RNIAWFEPSA-N 378.476 3.534 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)c2C)cc1 5740453 YFMCXSQWCQDHLB-XOBIUNJKSA-N 389.455 3.693 50 40 GHGB CCn1c(NNC(=O)c2cc(C3CC3)nc3ccccc23)nc2ccccc2c1=O 46538880 SLMSCKLQHLCNNU-UHFFFAOYSA-N 399.454 3.599 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)cc1OCC 59516175 ALTGUAUZXKPBHC-UDWIEESQSA-N 386.477 3.656 50 40 GHGB CC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 408719222 AFFYYTZQDVRNMF-KEBDBYFISA-N 376.865 3.649 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccc(OC)cc2)cc1 408782310 HHBCECBCRPPKAT-HYARGMPZSA-N 385.533 3.925 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408964162 PXMQXDKCRYXYJA-SRZZPIQSSA-N 392.242 3.647 50 40 GHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cn(C)c2ccccc12)c1ccccc1 408999277 QLPDEYSYBCOMIR-IXOWOOARSA-N 392.459 3.506 50 40 GHGB COC(=O)[C@@H]1C(=O)NC(SCc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1 409136305 TWDRFMDAVMUHQV-OALUTQOASA-N 392.480 3.666 50 40 GHGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(C)cc(C)cc2nc1Cl 898811 LDKRYSZJDGILOD-QGZVFWFLSA-N 383.835 3.760 50 40 GHGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)c(C)c2)c(OC)c1 1917628 CWERCRNOMCRZEC-XDHOZWIPSA-N 390.439 3.740 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(OC)c1OC 3389270 YAVAONRDESUIMB-KIHMUJGBSA-N 388.489 3.663 50 40 GHGB CSc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccco2)cc1 12250537 VSJDIYJJQBKKTR-IFXJQAMLSA-N 384.482 3.645 50 40 GHGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1 408779390 DMSZTCWOQBHPAM-BOPFTXTBSA-N 394.427 3.571 50 40 GHGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 409083451 VKHMIMJRQUMLPH-AFUMVMLFSA-N 387.370 3.680 50 40 GHGB CCn1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc21 409358585 LZYAWYFKJNAIGT-SSDVNMTOSA-N 399.292 3.986 50 40 GHGB CCOc1ccc(NC(=O)CCC(=O)N/N=C2\CCCc3ccccc32)cc1 672545 AFSJUAPNJLSPQC-HIXSDJFHSA-N 379.460 3.661 50 40 GHGB Cc1cccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 3112597 NDBXSXNRJNGHBF-PXLXIMEGSA-N 394.452 3.527 50 40 GHGB COc1cc(Br)ccc1OCC(=O)N/N=C/C=C/c1ccccc1 3131306 PBXQHTYKTNTURD-JNJFRLMHSA-N 389.249 3.652 50 40 GHGB N#Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(F)c1 4524080 MQQZFNHABHBPHH-JJFYIABZSA-N 378.319 3.629 50 40 GHGB C=CCOc1cccc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1 8812786 JRSHHUSEEPZEKD-UDWIEESQSA-N 389.249 3.786 50 40 GHGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1Br 55075640 KXFWDDXVVZFZTO-UHFFFAOYSA-N 386.293 3.831 50 40 GHGB BrC[C@H]1Cn2c(nnc2-c2ccc(Br)cc2)S1 1462605 GGDACUWGQXQPNB-VIFPVBQESA-N 375.089 3.577 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccccc1C#N 408741077 JZCIBGQTGISRCL-MFKUBSTISA-N 385.423 3.910 50 40 GHGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408814235 OMAMLLOSCRBXEB-GYZOOYGHSA-N 379.416 3.995 50 40 GHGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccccc1[N+](=O)[O-] 408542667 KSHOFUCYACKDTK-OQLLNIDSSA-N 383.429 3.766 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3)o2)cc1 408725383 HSTCWEZOCMMZQG-LPYMAVHISA-N 378.384 3.506 50 40 GHGB COc1ccccc1OCC(=O)N/N=C\c1ccc(Sc2ccccc2)o1 409001026 ZVVFEPXLLSZTBM-BKUYFWCQSA-N 382.441 3.969 50 40 GHGB COc1ccc(Cl)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408750487 NUBWAAGXHJYNNJ-BUVRLJJBSA-N 394.858 3.735 50 40 GHGB O=C(CS[C@@H]1CCc2ccccc21)NNC(=O)Nc1ccc(Cl)cc1 1574212 HBYUQFHEQAPRHA-MRXNPFEDSA-N 375.881 3.913 50 40 GHGB C/C(=N\NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(-n2cccc2)cc1 5187070 DSHUBYCZKAXNKZ-ZMOGYAJESA-N 398.825 3.749 50 40 GHGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCc1ccc2c(c1)OCO2 5880408 VYXJPOUHMHGBDJ-GZTJUZNOSA-N 386.407 3.800 50 40 GHGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408706564 BNLULHXYGCZWRD-FSJBWODESA-N 390.846 3.589 50 40 GHGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408797551 RVHHDLALFRNMIE-XNTDXEJSSA-N 384.819 3.828 50 40 GHGB Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccccc2)c1 409250678 NLNVJPIQAJEDQR-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2O)o1 6579614 BBMLYWAZUZTBPT-SSDVNMTOSA-N 398.802 3.856 50 40 GHGB CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@@H]1c1cccnc1 25329806 OXPGEJRXDFPKAV-KRWDZBQOSA-N 377.469 3.841 50 40 GHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408747347 MPQVLAKNZUWHRF-PCLIKHOPSA-N 383.451 3.863 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)o2)cc1 409382733 QDRPBGVKIPXYNN-GZTJUZNOSA-N 375.384 3.794 50 40 GHGB O=C(O)c1cccc(-n2cccc2/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c1 409092437 YEMJPHIAQQYNBO-JLPGSUDCSA-N 398.422 3.730 50 40 GHGB COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)n[nH]2)cc1OC 6780435 YTYWEHRXTUUDOO-WSDLNYQXSA-N 398.850 3.901 50 40 GHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(N2CCCC2)o1 408850143 GSJFRYOKNKVHSF-JMIUGGIZSA-N 382.247 3.716 50 40 GHGB COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(OC)c1 20248431 DOUFUNNLRLGFRO-UDWIEESQSA-N 378.881 3.990 50 40 GHGB O=C(N/N=C/c1cc([N+](=O)[O-])cs1)c1ccccc1OCc1ccccc1 6645995 SLVYYCDBHGFYEZ-RGVLZGJSSA-N 381.413 3.999 50 40 GHGB Cc1ccc(/C=N/NC(=O)c2ccccc2I)c(C)c1 1084921 YGVXKQASYIITAP-VCHYOVAHSA-N 378.213 3.672 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)c2ccccc21 1101506 WNFAFUPUXHDCRT-LTAHCBPXSA-N 395.503 3.789 50 40 GHGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4275591 IKSRWNDCHFSVFG-SFHVURJKSA-N 377.356 3.670 50 40 GHGB COc1cc(C(=O)NN=C2c3ccccc3-c3ccccc32)cc(OC)c1OC 1574643 MXJCYBCMOGMSEC-UHFFFAOYSA-N 388.423 3.875 50 40 GHGB O=C(CCc1nc2ccccc2s1)NNc1cc(C(=O)O)ccc1Cl 9217050 VUBQNJTXRUMNRW-UHFFFAOYSA-N 375.837 3.724 50 40 GHGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccccc1 59459317 CIZLGAKFXGHKOF-CIAFOILYSA-N 387.277 3.857 50 40 GHGB COc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CCCC3)cc1 96191599 OAAOHIMJAKJINX-DEOSSOPVSA-N 398.466 3.927 50 40 GHGB C[C@@]1(CBr)[C@@H]2CC[C@]1(CBr)C(=O)[C@@H]2Br 100746565 FYVXSJHUBPYLLD-ZXZZCXTASA-N 388.925 3.525 50 40 GHGB C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1 106824779 BTFYCPCUKTUFEW-YDZHTSKRSA-N 377.831 3.994 50 40 GHGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408775714 RQBGEFIYNIRLBB-OYKKKHCWSA-N 379.435 3.935 50 40 GHGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1 409007284 NMIWOJGAMKYWNL-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2C)N1C(=O)CCl 1083103497 KCUNPNMBYHXANM-GHTZIAJQSA-N 396.874 3.731 50 40 GHGB CN(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1Br 105410471 AFPJHKUEMYEVQI-YMLJWWIASA-N 378.314 3.792 50 40 GHGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c1C 58912636 KVFIPMNPTYYLHI-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cccs3)cc2)cc1 2278980 XOTMLGSWCASFRA-CIAFOILYSA-N 380.425 3.789 50 40 GHGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1 55142504 TVUBPUZEJDPMIV-HNNXBMFYSA-N 391.265 3.872 50 40 GHGB CCN1C(=O)/C(=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c2ccccc21 3306710 RHOBNDUZRUREEL-XMHGGMMESA-N 395.846 3.939 50 40 GHGB O=C(Cc1ccccc1)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 12941437 RVFPUIOUMNOWES-OAQYLSRUSA-N 376.481 3.910 50 40 GHGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)cc2)N2C(=N1)SC(C#N)=C2N 408604450 JIZVJISKEIXUGE-KRWDZBQOSA-N 382.489 3.723 50 40 GHGB Cc1ccc(COc2cccc(/C=N/NC(=O)CNC3CCCCC3)c2)cc1 409387968 SOZVVCJEAXFXGA-MFKUBSTISA-N 379.504 3.946 50 40 GHGB CCN(CC)c1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1 36144784 BARKJEMEDWUGIW-STZFKDTASA-N 388.309 3.988 50 40 GHGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 83317365 IHZYTCCKNVRJFR-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1O 230313569 NCCLMCFOYFLBKT-GLFNBLRSSA-N 395.297 3.830 50 40 GHGB COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc(OC)c1OC 20103088 HXQPDGMMYAATJQ-LJQANCHMSA-N 388.423 3.804 50 40 GHGB CCOc1cc(/C=N\NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc(Br)c1O 100932842 NCCLMCFOYFLBKT-LIJIFHSASA-N 395.297 3.830 50 40 GHGB O=C(N/N=C/c1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 2220467 CBEALGKTGAPIDE-LCRYFQBLSA-N 394.233 3.636 50 40 GHGB Cc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1 12275438 DZLFRQZZCULJPX-XMSQKQJNSA-N 376.481 3.947 50 40 GHGB COc1cccc(/C=N/NC(=O)CSCc2ccccc2Br)c1 58915657 IDYONLTYIHVYRV-VXLYETTFSA-N 393.306 3.841 50 40 GHGB C/C(CCCO)=N/NC(=O)c1ccc(COc2cccc(C(F)(F)F)c2)o1 6261739 OOSZJBWXHMYGPC-UUYOSTAYSA-N 384.354 3.756 50 40 GHGB Cc1c(/C=N/NC(=O)[C@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cnn1C 6527514 SLNYJURAGXPHLL-DGSAEOIUSA-N 392.507 3.665 50 40 GHGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 408841198 JPBJDTIXGJWILM-UFWORHAWSA-N 391.836 3.506 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3)o2)cc1 409360262 MRASOBCOGVJIKM-OEAKJJBVSA-N 376.412 3.734 50 40 GHGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1cccc(Cl)c1 1421685 HHNLAHDQEJUVSV-DJKKODMXSA-N 393.852 3.640 50 40 GHGB O=C1[C@@H]2C[C@H]3[C@@H]4[C@H]2[C@@]2(Cl)[C@H](Cl)[C@](Cl)([C@@H]13)[C@]4(Cl)C2(Cl)Cl 100488115 IZHZFAQWVKBTSL-RVKZUQDKSA-N 380.913 3.809 50 40 GHGB CCOc1cc(/C=N\NC(=O)c2ccccc2Cl)cc(Br)c1O 28616304 SAKGKAFIRGJKIZ-OCKHKDLRSA-N 397.656 3.971 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc3cccnc23)cc1 2801425 ZIQRHRLYWBZISI-DTVDJLOLSA-N 375.428 3.717 50 40 GHGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc1 20197356 NAXHLSAALGCXPY-CIAFOILYSA-N 376.840 3.997 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OC(C)C 4544644 HSSXLCQPHKVBHU-AUEPDCJTSA-N 389.814 3.910 50 40 GHGB Cc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)c1 7208088 RNIZJIIUCXAMNC-HMMYKYKNSA-N 385.471 3.785 50 40 GHGB COc1ccc(Cl)cc1NC(=O)NNC(=O)COc1cccc2ccccc12 17081784 HOBKVBYUPHOWEH-UHFFFAOYSA-N 399.834 3.734 50 40 GHGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2cccc(Cl)c2)CC1 409006530 OOMWZJZBQXKDRB-OEAKJJBVSA-N 383.879 3.651 50 40 GHGB CCn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nc2ccccc21 1477317 GOJCYBUVHVBQTF-WSDLNYQXSA-N 377.473 3.780 50 40 GHGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1 5417373 RUKGFRLMJPLQJN-OEAKJJBVSA-N 387.867 3.720 50 40 GHGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@@H]32)cc1 4453384 APQRTCMDMWQSJX-RBBKRZOGSA-N 385.515 3.944 50 40 GHGB COc1cccc(/C=C(\C#N)C(N)=O)c1OCc1ccc(Cl)cc1Cl 3255595 WVGOPTSWHWZVJG-NTUHNPAUSA-N 377.227 3.973 50 40 GHGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc(OC)c3)c21 5248808 FXPDTUWMFGCWQV-GOSISDBHSA-N 388.427 3.702 50 40 GHGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 409219377 MECNQUQPRWMAQJ-UHFFFAOYSA-N 393.830 3.667 50 40 GHGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1 5377437 NKWMIUTWQDKZNR-UDWIEESQSA-N 389.249 3.543 50 40 GHGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1891609 MVKJYZFMZCYVDU-UHFFFAOYSA-N 375.336 3.880 50 40 GHGB COC(=O)N/N=C/c1cccc(OC)c1OCCCOc1ccccc1Cl 4545190 FFFLKILHMXRBGR-FYJGNVAPSA-N 392.839 3.886 50 40 GHGB COC(=O)[C@@H](Cl)C12CC3(C)CC(C)(C1)CC([C@@H](Cl)C(=O)OC)(C3)C2 4582322 VNCNDLWHRXLTQV-ANZUROFZSA-N 377.308 3.914 50 40 GHGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C(\CCC(=O)O)c1ccccc1 5535958 FYAFXKKTUAUIJX-KTNMXJNISA-N 388.851 3.801 50 40 GHGB O=C(CCCSc1nc2ccccc2s1)NNC(=O)c1cccs1 6509731 RVPYRIBBUFBFTN-UHFFFAOYSA-N 377.516 3.691 50 40 GHGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(SC)cc3)[C@H]2C1 19816612 DYNZTBKFWZKPBU-VQTJNVASSA-N 389.528 3.544 50 40 GHGB Cc1c(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)cc(C#N)n1C 46485710 GJFPQWYHRNKFEP-LFYBBSHMSA-N 394.232 3.681 50 40 GHGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)c1nc2ccccc2[nH]1 408605523 LUSVILJQBFHRFZ-SFQUDFHCSA-N 398.422 3.915 50 40 GHGB N#Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(F)c1 408966635 MOQZBKCTIUQULN-JJFYIABZSA-N 378.319 3.629 50 40 GHGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)cc1 2669923 GXIUUGRENDLKTL-SFQUDFHCSA-N 394.427 3.903 50 40 GHGB Cc1cc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)ccc1Cl 3140047 ZXKRCXNNPUJBGX-IFRROFPPSA-N 381.215 3.560 50 40 GHGB CC/C(=N\NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 5727577 TULXYUYYCSJMKP-XTQSDGFTSA-N 394.475 3.737 50 40 GHGB CCCCCn1c(=O)c(C(=O)N/N=C/c2cccc(F)c2)c(O)c2ccccc21 100534743 KLWCORSOTICWEP-ZVHZXABRSA-N 395.434 3.800 50 40 GHGB N#C/C(=C/c1cccc(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 255111229 CUTVURHVTFWSDO-LGMDPLHJSA-N 396.288 3.705 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 408534155 VCCFSPTZCXMCFC-FSJBWODESA-N 377.400 3.515 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c1C 408787320 XNTOKMOMWVPTQR-WQRHYEAKSA-N 379.460 3.621 50 40 GHGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C 408938132 KTTGLKSDXYAGIX-ZMOGYAJESA-N 392.434 3.630 50 40 GHGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 409248675 FGQNKSCLKDZSLT-SRZZPIQSSA-N 383.335 3.766 50 40 GHGB N#C/C(=C/N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 36269364 WKOSZVVGXZCQRN-VLGSPTGOSA-N 380.879 3.504 50 40 GHGB COc1cc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1 101192799 UWJUNFUUAPDMMF-BOPFTXTBSA-N 378.837 3.608 50 40 GHGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCCc1c[nH]c2ccccc12 3395075 HSRMHSRWFNSLPA-UHFFFAOYSA-N 385.851 3.614 50 40 GHGB COC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1ccccc1OC 4545189 HMPUYMMJGYTTBO-FYJGNVAPSA-N 392.839 3.886 50 40 GHGB C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N\NC(=O)C(=O)Nc1cccc(C)c1 5418590 SDURSSNYQJFWCL-PCLIKHOPSA-N 394.475 3.578 50 40 GHGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC 4663657 PZTQOFZTCNDPBT-ZVHZXABRSA-N 377.444 3.809 50 40 GHGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 6694087 PZFWTCWRVSGBFZ-LITAXMHPSA-N 386.814 3.787 50 40 GHGB COc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1O 5695492 PBSWHNUQVXFUCL-ZWSXMNCCSA-N 393.468 3.888 50 40 GHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)s2)cc1 408792619 BJJVRLQMZWGBEW-DHZHZOJOSA-N 391.246 3.843 50 40 GHGB C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC 409186755 HMJPDXOJFGVZJA-UCQKPKSFSA-N 392.411 3.616 50 40 GHGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 408951449 IVMBCXBUHPXVCV-ZLVBAYQFSA-N 389.279 3.842 50 40 GHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1Br 1302862 OLNHFOSOXGOOJI-GIJQJNRQSA-N 390.262 3.833 50 40 GHGB C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 19850381 YPKKIPUXUWLYNB-ODLFYWEKSA-N 386.458 3.837 50 40 GHGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 6325344 DKIZNWOZVJIVKI-PCCDRTMGSA-N 397.519 3.895 50 40 GHGB O=C(N/N=C/c1ccccc1I)c1cccc(Cl)c1 6335691 OHWOBQHSSDDKMO-RQZCQDPDSA-N 384.604 3.709 50 40 GHGB Cc1ccc(N2C(=O)[C@@H](C)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 2238963 PMDOUUQFERPRMN-XAIYEJPOSA-N 377.469 3.515 50 40 GHGB COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O 1468345 PJWAWBSGXXNGAF-SRZZPIQSSA-N 384.823 3.598 50 40 GHGB CCCC(O)(CCC)C(=O)NN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1777316 CFTAQFFXOOBWHM-UHFFFAOYSA-N 399.447 3.604 50 40 GHGB CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/C1=Cc2ccccc2OC1 2355747 UJWFGRDIGZFUJZ-OEAKJJBVSA-N 387.480 3.650 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(OC)c1 4507527 LWZFAGTYQCVHMS-DQAKUKQTSA-N 378.881 3.988 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)o1 5547488 ZSOSJEOJEGPXIG-UFFVCSGVSA-N 393.355 3.656 50 40 GHGB O=C(CSc1cc(Cl)ccc1Cl)N/N=C1\C(=O)Nc2ccccc21 8514307 NATDMBVTQBLFDZ-UHFFFAOYSA-N 380.256 3.558 50 40 GHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)ccc2O)c1C 18209522 BWVOLTDZSXLGIU-AWQFTUOYSA-N 391.265 3.609 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1[N+](=O)[O-] 59473141 WPWOKTVDHXDURR-VURRPDKYSA-N 393.852 3.888 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 59515417 IHIIMJGTGCJUEE-RGVLZGJSSA-N 388.265 3.661 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C)c3)c2C)cc1 408742255 OACDORYPBZAYSI-ZVHZXABRSA-N 389.455 3.953 50 40 GHGB O=C(O)c1ccc(COc2ccccc2/C=N\NC(=O)c2cccs2)cc1 408852513 GUYOAINEJAFIDE-MTJSOVHGSA-N 380.425 3.789 50 40 GHGB COc1ccc2ccccc2c1/C=N/NC(=O)c1sc2ncnc(N)c2c1C 408973417 MTPNMKBZHNGJLN-PGGKNCGUSA-N 391.456 3.508 50 40 GHGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(OCC)c2)cc1OC 409315367 JBDAASGBQNQGIH-NHDPSOOVSA-N 392.839 3.616 50 40 GHGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Cl 409336364 RTLOLUDWRWUZEB-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB C[C@@]12CC[C@@H](C(Br)(Br)C1=O)[C@@]2(C)CBr 3068963 UQWCFNOCILWLGO-FTLITQJKSA-N 388.925 3.873 50 40 GHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)[C@H](Br)C2=O 4185827 PYSQDEUUQGAKHV-LYRGGWFBSA-N 385.689 3.832 50 40 GHGB C[C@]1(C(=O)[C@H](Br)[C@H](Br)c2cccc(Cl)c2)CO1 4940140 ZJAADAJXBRJTHI-CKYFFXLPSA-N 382.479 3.898 50 40 GHGB C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 5289023 PUDIXDMNDHFCHI-MFKUBSTISA-N 383.467 3.935 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC)cc1 5465369 JKMQJRRPVXAZTI-YBFXNURJSA-N 377.238 3.620 50 40 GHGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 5691898 OUUMZOOASRSWGE-FOWTUZBSSA-N 392.415 3.749 50 40 GHGB aggregator CCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)c(C)c2)cc1 8276076 LESLECGWXLGVRT-UHFFFAOYSA-N 390.867 3.667 50 40 GHGB CCOc1cc(/C=N/NC(N)=O)ccc1OCCCOc1cc(C)cc(C)c1 9425670 GGQDZCDYXGKDHK-OEAKJJBVSA-N 385.464 3.552 50 40 GHGB COC(=O)N/N=C/c1ccc(OCCCOc2ccc(C)c(C)c2)c(OC)c1 13896852 VDLRYFHBXPVTMZ-HYARGMPZSA-N 386.448 3.850 50 40 GHGB CCSc1ccccc1C(=O)NNC(=O)CSc1cccc2cccnc12 15554389 BCHKFPGCGNESJA-UHFFFAOYSA-N 397.525 3.900 50 40 GHGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 59434249 JCXMEYPXRCLEDS-LSFURLLWSA-N 383.757 3.756 50 40 GHGB COC(=O)[C@H](Cl)[C@@H](Cl)c1cccc([C@H](Cl)[C@H](Cl)C(=O)OC)c1 68563452 MXRXXKSKCXFTAW-FIQHERPVSA-N 388.074 3.807 50 40 GHGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)n1nc(C)cc1C 408808123 DIZMHPZEUIVNEE-OQLLNIDSSA-N 384.233 3.522 50 40 GHGB Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 1234655 ZKTNIOCZUGIZSS-UFWORHAWSA-N 382.203 3.739 50 40 GHGB N#C/C(=C\c1ccccc1I)C(=O)NCc1ccccc1 3570295 PJPTTZIFAYQBEB-XNTDXEJSSA-N 388.208 3.515 50 40 GHGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1 4743202 XQPINKHNKCCFOD-BHGWPJFGSA-N 391.358 3.728 50 40 GHGB COc1ccc(Cl)cc1/C=N/NC(=O)c1cc(Br)ccc1OC 8812831 HRUXDDSBAMIEBF-DJKKODMXSA-N 397.656 3.884 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1CSc1ccccn1 17354837 CDLAGOORTMEWCJ-YDZHTSKRSA-N 393.468 3.852 50 40 GHGB C=C(C=O)[C@]1(O)C[C@@]2(C)C(=CC1=O)C=C[C@H](OC(=O)/C=C/C=C/[C@H](C)CC)[C@@H]2C 31159592 GIUVFWDLNFDKHT-PLYMMSKXSA-N 398.499 3.654 50 40 GHGB biogenic,in-vitro CCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1OC 32579254 AQRZWWCZJLPAPZ-ODLFYWEKSA-N 377.238 3.620 50 40 GHGB O=C(N/N=C/c1cccn1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1 59250498 GWWGQFRZWNTHEG-LGUFXXKBSA-N 395.462 3.864 50 40 GHGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)Nc1cccc(C)c1 107610259 JBPOTWGXJCIERJ-MHWRWJLKSA-N 395.484 3.604 50 40 GHGB C/C(=N\NC(=O)c1ccccc1C)c1cccc(I)c1 408783349 KMXZZFCPJJNJJC-LDADJPATSA-N 378.213 3.754 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cccc(Cl)c1 408874061 XZHKEFDKVYOWOK-WLRTZDKTSA-N 377.227 3.973 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)cc1 409253132 WAKGGXYSUUGVTG-WYMPLXKRSA-N 390.443 3.948 50 40 GHGB O=C(NNc1c(Cl)cncc1Cl)NC(=O)c1cc(Cl)nc(Cl)c1 2581891 WAPNJYYLAIPUDR-UHFFFAOYSA-N 395.033 3.557 50 40 GHGB COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCCCOc1ccccc1C 4575672 KCWXOCCWSUSEPC-LPYMAVHISA-N 390.867 3.975 50 40 GHGB CC(/C=C/c1ccccc1)=N/NC(=O)CSc1nnc(-c2ccccc2)n1C 4872059 DWWLXDJIEHKUFZ-YGUVTARBSA-N 391.500 3.780 50 40 GHGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)c1 5248617 USRRZFODBGJMMG-MRXNPFEDSA-N 378.819 3.957 50 40 GHGB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N/NC(=O)C12CC3CC(CC(C3)C1)C2 5445091 PTGJOIVWJUVKMR-UHFFFAOYSA-N 392.286 3.982 50 40 GHGB N#CC1=CN(c2ccc(F)cc2Br)c2ccccc2S1(=O)=O 38487997 DSGWOPSCQPWDMK-UHFFFAOYSA-N 379.210 3.879 50 40 GHGB CO[C@@H](C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1 59471513 OQJCQUZUXCWGLV-KCOUNZPASA-N 388.423 3.744 50 40 GHGB C/C(CC(=O)c1ccccc1)=N/NC(=O)c1cc(Br)ccc1O 101155967 TZNIUGCNTDJIFH-ODLFYWEKSA-N 375.222 3.533 50 40 GHGB C/C(N)=C(\C#N)C(=O)COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1 105267487 OYULUZUZTKLPBY-PFONDFGASA-N 397.500 3.658 50 40 GHGB Br[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H]3[C@@H]1[C@H]([C@H]42)C5(Br)Br 252694695 OJQKYGJVEGFZFY-ABTUDXRQSA-N 382.921 3.624 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1 408727998 UJHLDDLSWYWGHC-UDWIEESQSA-N 387.461 3.767 50 40 GHGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)cc1OC 818652 QNXWPCUTSYKNPF-LJQANCHMSA-N 382.460 3.853 50 40 GHGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC)cc1 26688661 BKQMMZFUVOMWRQ-NBVRZTHBSA-N 384.439 3.757 50 40 GHGB C[C@@H](Nc1ccc(I)cc1)C(=O)N/N=C1\CCCC[C@H]1C 103069227 RMICOYUSLWBAOI-YEHARPAWSA-N 399.276 3.774 50 40 GHGB O=C(N/N=C/c1ccc(Br)cc1)c1cc(Br)ccc1O 58871266 WWACNNVICYNOPL-CAOOACKPSA-N 398.054 3.681 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1OCc1ccccc1 3580569 ROSWZSDHZMEDNZ-OEAKJJBVSA-N 376.412 3.744 50 40 GHGB COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)c(C)c2)o1 4515102 NOYYZZGWLPTKHB-GXDHUFHOSA-N 389.249 3.687 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OC 408874347 AGOJDYBGZIQZOS-UDWIEESQSA-N 389.249 3.786 50 40 GHGB COc1ccc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc1Br 216039569 CAPRSPXAFYMPNT-JAIQZWGSSA-N 375.266 3.767 50 40 GHGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCC(C)C 8181944 ZOBKQGPSDOAFHS-SSDVNMTOSA-N 390.867 3.913 50 40 GHGB CCOC(=O)c1c(C)oc2ccc(OCC(=O)N/N=C/c3cccs3)cc12 1299678 UEINAQVACPLUGY-KEBDBYFISA-N 386.429 3.509 50 40 GHGB O=C(CCCCCCCCCCOCCCCO)N/N=C/c1cccnc1 4973882 KAVNNVXVBBNTBF-FCDQGJHFSA-N 377.529 3.832 50 40 GHGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC)cc1OCC 6355601 OXCQZEHYBVPKRA-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 8557757 ZBGXVNSALFCOBN-KRWDZBQOSA-N 375.457 3.624 50 40 GHGB O=C(NNC(=O)C1CCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 12533699 PGHGTVGNTRAOFE-UHFFFAOYSA-N 394.500 3.806 50 40 GHGB O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 17330015 RNZHXUZPQOBOQO-UHFFFAOYSA-N 385.763 3.583 50 40 GHGB Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 33336500 IXVXDBMYFSTEMQ-IWIPYMOSSA-N 384.439 3.986 50 40 GHGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(Cc2ccccc2)CC1 55180449 FOQXXUFWUPZUPE-UHFFFAOYSA-N 377.488 3.636 50 40 GHGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)ccc21 408882033 NHMOIZZTAQMOKW-SFQUDFHCSA-N 382.423 3.576 50 40 GHGB COc1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC 1054568 XGFPHPDXVHURDB-AWQFTUOYSA-N 383.231 3.783 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H]1c1ccc(Cl)cc1 1437247 ZGRMPYKTZQASAE-OAHLLOKOSA-N 393.790 3.856 50 40 GHGB COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1OC 3079717 VHRAONIZLIARHN-KEBDBYFISA-N 378.881 3.741 50 40 GHGB CCOC(=O)[C@@H](CC(C)C)N[P@](=O)(CCl)N(CCCl)CCCl 4743766 WGENXYODNIGDPI-VERVWZFWSA-N 395.695 3.723 50 40 GHGB Cc1c(/C=N/NC(=O)[C@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)cnn1C 6413280 SLNYJURAGXPHLL-BWYWKRLTSA-N 392.507 3.665 50 40 GHGB CO[C@H](C(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)c1ccccc1 58961922 NUZNEASEYIJAMJ-ZFJBLLOBSA-N 382.851 3.672 50 40 GHGB CCOC(=O)c1c(C)[nH]c(/C(C)=N/NC(=O)c2ccc(N(CC)CC)cc2)c1C 5691867 OBSOZGWWCYFFRV-LFVJCYFKSA-N 398.507 3.808 50 40 GHGB O=C(O)CC/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 26442580 FBTHZLDZGLIFFG-QNGOZBTKSA-N 395.242 3.758 50 40 GHGB O=C(CSCCc1ccccc1)N/N=C/c1cccc(Br)c1 408725389 FTZBQJRMTNDANU-XDHOZWIPSA-N 377.307 3.875 50 40 GHGB C/C(=N/NC(=O)c1cc(-c2ccc(Br)s2)[nH]n1)c1ccco1 5443908 HLNBXZMBXXJDFE-PXNMLYILSA-N 379.239 3.648 50 40 GHGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1O[C@H](C)C(=O)O 4539096 KJADBPHRWFKERO-MLJKTZRHSA-N 377.400 3.796 50 40 GHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)[C@@H](Br)C2=O 12276969 PYSQDEUUQGAKHV-XZJROXQQSA-N 385.689 3.832 50 40 GHGB COc1ccc(NC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1Cl 58885819 NEAAOVFXZAMWLF-UHFFFAOYSA-N 379.888 3.996 50 40 GHGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc(F)cc1 4740766 YJFJANKDWQKJAE-OMCISZLKSA-N 390.006 3.708 50 40 GHGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 4735247 BARKJEMEDWUGIW-KGENOOAVSA-N 388.309 3.988 50 40 GHGB N#CC(C#N)=C(N1CCCCC1)[C@]1(C#N)[C@@H](c2ccccc2Cl)C1(C#N)C#N 66089436 WHRPAZDALPKPAO-RXVVDRJESA-N 386.846 3.768 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(F)c1 1105647 XYAGBPOVCAESIT-YDZHTSKRSA-N 394.406 3.834 50 40 GHGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCSc1ccc(Cl)cc1 2628512 WTDYGVXUEVHMRR-UHFFFAOYSA-N 399.299 3.945 50 40 GHGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 6479497 JAGNPPPQKQPPBB-MRXNPFEDSA-N 377.469 3.706 50 40 GHGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cccc(Br)c1 59459789 AOOWUBCYAYWGCD-UFWORHAWSA-N 391.656 3.823 50 40 GHGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)cc1 12362683 AHNSMWMIAZXUSN-KEFQVJQSSA-N 381.432 3.852 50 40 GHGB CCN(CC)c1ccc2cc(/C(C)=N\NC(=O)c3ccccc3)c(=O)oc2c1 13510515 GOEVDQMMBBSQDH-HAHDFKILSA-N 377.444 3.793 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)cc1OCC 5130103 GXXQAIUJPRNMBM-QQHUYRGFSA-N 385.489 3.676 50 40 GHGB CCc1sc(C(=O)N/N=C(\C)c2ccc(N3CCOCC3)c(F)c2)cc1C 8130342 FIHXQTBVYWIQNY-HYARGMPZSA-N 389.496 3.749 50 40 GHGB N#C/C(C(=O)Nc1cccnc1)=C1/C(=O)N(Cc2ccccc2)c2ccccc21 409116268 IPIBLXVLPAUDGE-VZCXRCSSSA-N 380.407 3.544 50 40 GHGB Cc1ccc(N2C(=O)[C@@H](C)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 2423212 AVSYEVYOKCQMHE-BWORXHKJSA-N 391.496 3.557 50 40 GHGB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(F)c1 14675402 WKGUKPYVYRWOIP-RKPNYOAGSA-N 384.382 3.752 50 40 GHGB COc1ccc(SCC(=O)N/N=C\c2cccn2-c2ccc(OC)cc2)cc1 408854343 CVFVURXRPODCBL-HMAPJEAMSA-N 395.484 3.737 50 40 GHGB COC(=O)[C@H]1C(=O)NC(SCc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1 409143705 DJJVARIECKBJQQ-RTBURBONSA-N 392.480 3.666 50 40 GHGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 252478782 AVBSEMCLVXXBAP-TWGQIWQCSA-N 377.150 3.697 50 40 GHGB O=C(N/N=C/c1cccs1)c1ccn(Cc2cccc(Br)c2)n1 1081838 BHAMAVXTIVOCQO-VCHYOVAHSA-N 389.278 3.519 50 40 GHGB CC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 1433466 VEAGRXRAXNUODK-KEBDBYFISA-N 376.865 3.649 50 40 GHGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 3411245 YOGSNDOPSNNXJZ-UHFFFAOYSA-N 382.423 3.614 50 40 GHGB COc1ccc(CCCC(=O)N/N=C2\CCCc3cc(OC)c(OC)cc32)cc1 4473935 SKKZLBICUTUZJB-HIXSDJFHSA-N 396.487 3.892 50 40 GHGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 4860242 QHXHVDWFTUYCPK-HYARGMPZSA-N 388.383 3.611 50 40 GHGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1OC 4908241 UVTDJJSERFNSCR-KRWDZBQOSA-N 382.464 3.939 50 40 GHGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)ccc1OC(C)C 5130871 PGLUFCVTEZSELB-MRXNPFEDSA-N 382.464 3.721 50 40 GHGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCc1ccccc1)[C@H](Br)C2=O 5339592 NTRRARPDJGNCRG-ZMYBRWDISA-N 378.310 3.504 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)c1 9014961 YWBBZVUKPOZOEQ-MRXNPFEDSA-N 395.459 3.845 50 40 GHGB O=C(OC(CCl)CCl)[C@@H]1CC[C@@H](Br)[C@@H](Br)C1 100934403 YFZSLAKWTLZICE-VDAHYXPESA-N 396.934 3.703 50 40 GHGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3)c2C)c1 408971590 JRJONFYJMUVMLN-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCCCC3)cc2)cc1 409137594 WCQYVCAJLJZOBC-UHFFFAOYSA-N 399.516 3.870 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Br)cc2)c(OC)c1 919228 FCZBPOBKRZVQRQ-YBFXNURJSA-N 377.238 3.620 50 40 GHGB O=C(CP(=O)(c1ccccc1)c1ccccc1)/N=c1/[nH]c2ccccc2s1 1067171 AVMVOVCPFVLVEG-UHFFFAOYSA-N 392.420 3.671 50 40 GHGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 1810762 CGPOCQXKWZCKPB-WSYSLRRZSA-N 384.461 3.724 50 40 GHGB Cc1ccc(C)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc5c(c4)OCO5)c32)c1 4166628 VNPLYGRBZUADIN-GOSISDBHSA-N 386.411 3.640 50 40 GHGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(OC)c(Cl)c2)cc1 18102926 PWWGOZUHRWICKL-RVDMUPIBSA-N 378.837 3.608 50 40 GHGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408834889 XGIFYHFKKOOSCF-XNTDXEJSSA-N 396.830 3.915 50 40 GHGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1 408959629 CGEBQPMVBJFEIR-FYJGNVAPSA-N 398.488 3.746 50 40 GHGB COc1ccc2ccccc2c1/C=N/NC(=O)COc1cccc2cccnc12 409013510 AQZTVWVEPFYVAY-AFUMVMLFSA-N 385.423 3.926 50 40 GHGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)C(O)(c1ccccc1)c1ccccc1 1101006 IGYVFOAQFTZLOQ-LGUFXXKBSA-N 399.494 3.673 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)n1 6964276 NOTWGAUDPMZTMF-SRZZPIQSSA-N 399.907 3.780 50 40 GHGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 28402696 GXJSSZSYCXUAPM-JAIQZWGSSA-N 383.795 3.792 50 40 GHGB CCOC(=O)c1c(NC(=O)CCl)sc(Cc2ccc3c(c2)OCO3)c1C 3269674 KKGUTUOSIZBEDV-UHFFFAOYSA-N 395.864 3.730 50 40 GHGB CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 4751330 NWFKODWBDOZIHN-HXUWFJFHSA-N 394.427 3.849 50 40 GHGB COCCN1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 409135405 VEMADLYKAXALJU-SFHVURJKSA-N 385.895 3.723 50 40 GHGB O=C(N/N=C\c1ccc(Br)cc1)c1ccc(Br)cc1 32222360 ZIQLTMYBZYBOSC-MFOYZWKCSA-N 382.055 3.976 50 40 GHGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1 30840634 GSLHRTBTKJPHAE-HMAPJEAMSA-N 375.384 3.791 50 40 GHGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N)cc3)c2C)cc1 5559408 SXNBGHFLHOGRPT-ZVHZXABRSA-N 376.460 3.839 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)CNC2CCCCC2)c(OC(C)C)c1 9489300 BREYLWYRFGJXEN-YDZHTSKRSA-N 375.513 3.633 50 40 GHGB N#CSc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(Br)c1 12809096 CBGHFUGZERKHEI-GHMZBOCLSA-N 381.251 3.628 50 40 GHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCC)c1 59282234 LHSQZGHJVDXDBK-XNTDXEJSSA-N 381.388 3.938 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)c(Br)c1OC 408749478 PFWLEQOYOAZONZ-DJKKODMXSA-N 397.656 3.884 50 40 GHGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccs1 409264492 LOWZCIODYOKKME-WOJGMQOQSA-N 394.294 3.770 50 40 GHGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Br)cc2)cc1OC 5289004 IBJJJCKPEUSTRM-YBFXNURJSA-N 377.238 3.620 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(SC#N)c2)cc1 409059293 VYDTYMXQBZXXJI-ZSOIEALJSA-N 395.440 3.918 50 40 GHGB Cc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 6238373 VMZQTHBCMVHIGW-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 4402166 BVNQTYISZTUQIN-CIAFOILYSA-N 388.811 3.691 50 40 GHGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1Cl 4539941 KTEICSUKOMITBS-MNTXUITRSA-N 397.887 3.560 50 40 GHGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1 409144356 NWGPNXVYSIQLBQ-OAHLLOKOSA-N 395.484 3.861 50 40 GHGB CCNC(=O)/C(C#N)=C/c1cc(C)n(-c2sc(C)c(C)c2C(=O)OC)c1C 409205999 ULROPVYXZJJZKZ-CXUHLZMHSA-N 385.489 3.602 50 40 GHGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 409149884 UHARBPMFJQIOBK-WSDLNYQXSA-N 397.362 3.695 50 40 GHGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 40866167 FTTUOIJQVPORPC-WOJGMQOQSA-N 378.428 3.818 50 40 GHGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)Nc1ccccc1 83314236 SIKAFHIUBJNVJA-OYKKKHCWSA-N 391.402 3.607 50 40 GHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 19639693 GEZRVLJFVDFKGD-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB Cc1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc1 30900900 HNHUBETZGHKBCF-JMIUGGIZSA-N 375.266 3.903 50 40 GHGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cc(OC)ccc1F 659950 ZJPOLBDRFSLCKF-SFHVURJKSA-N 394.402 3.616 50 40 GHGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc2c(c1)OCCO2 1458098 BRWGZPGCEPSLOT-KOUDTOEKSA-N 388.851 3.727 50 40 GHGB CN(C)c1ccc([C@H](C[N+](=O)[O-])P(=O)(OCCCl)OCCCl)cc1 3011969 KQHNBNWEZOEGLP-AWEZNQCLSA-N 399.211 3.774 50 40 GHGB CN1/C(=C(/C#N)C(=O)COC(=O)C2(c3ccccc3)CC2)Sc2ccccc21 7814830 ANSXFNJXTLOAQG-CAPFRKAQSA-N 390.464 3.808 50 40 GHGB C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CCc4sccc4[C@H]3C)cc2C1 84700207 HUSSYGLCIHXRNG-VXGBXAGGSA-N 389.546 3.908 50 40 GHGB O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408972452 BXRZMNXRJDBZQA-GZIVZEMBSA-N 387.720 3.587 50 40 GHGB COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(O)c1 409391739 KZNGJXZQYWYXEG-OEAKJJBVSA-N 376.412 3.744 50 40 GHGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 803835 SZPJLTNZFZFIRL-NRFANRHFSA-N 379.423 3.947 50 40 GHGB COc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 876549 OPRAANWASYVLNJ-NRFANRHFSA-N 395.418 3.908 50 40 GHGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21 409246920 KZWRTIDNEMDNNQ-UWCCDQBKSA-N 387.439 3.599 50 40 GHGB CC(C)(C)c1ccc(CCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 21969646 CAMGHKWSHVPSMH-UHFFFAOYSA-N 377.488 3.788 50 40 GHGB Cc1ccccc1N1C(=O)[C@H](Cc2ccc(Cl)cc2)S/C1=C(/C#N)C(N)=O 2370725 FBXSAQDUQQDCGF-SWEXZPIWSA-N 397.887 3.560 50 40 GHGB CCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc21 13878627 ILLPIPKIQVRVJS-UHFFFAOYSA-N 387.896 3.649 50 40 GHGB CCCC(=O)Oc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 1102373 NZQKKSYWNYAKEN-LJQANCHMSA-N 380.444 3.843 50 40 GHGB BrCc1ccccc1-c1nn2c(CBr)nnc2s1 100677245 IOCGKLPHMYEKDW-UHFFFAOYSA-N 388.088 3.643 50 40 GHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC(C)C)cc1)c1ccccc1 408978750 JTNSDDGZQBOVBH-KMUCBOENSA-N 397.475 3.801 50 40 GHGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3C(F)(F)F)CC2=O)cc1 409263131 AEXNIYGOBBQRIQ-PGRIZOJTSA-N 389.377 3.517 50 40 GHGB Cc1ccccc1-n1cccc1/C=N\NC(=O)COc1cccc2cccnc12 409021530 LVMRTNGZOVBANF-MYYYXRDXSA-N 384.439 3.863 50 40 GHGB COC(=O)c1cc(C(=O)CBr)ccc1OCc1ccc(F)cc1 85397474 QMYHFPFMIPTZCF-UHFFFAOYSA-N 381.197 3.769 50 40 GHGB C/C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)=N\NC(=O)c1ccccn1 100089755 PEBSQNNKDXXILJ-YSURURNPSA-N 398.772 3.888 50 40 GHGB C/C(=N\NC(=O)c1ccncc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 32578358 XFDICCGJMIQOAS-AFUMVMLFSA-N 376.391 3.627 50 40 GHGB COC(=O)/C(C#N)=C/c1cc(COc2c(OC)cccc2OC)c(C)cc1C 2728814 KPENPORUPZLISQ-LICLKQGHSA-N 381.428 3.980 50 40 GHGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(C#N)cc1 4106981 QAUWVPZFSDLYEF-LGJNPRDNSA-N 385.402 3.741 50 40 GHGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cn(CC(=O)OC)c2ccccc12 4982947 JYFTUOLMZJVRIL-ATVHPVEESA-N 387.439 3.922 50 40 GHGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)COc1ccc(C)cc1 5545122 NHGUSPIZFJPDSH-HZHRSRAPSA-N 387.867 3.857 50 40 GHGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc2c(s1)CCCCCC2 7387730 RCFFVPCUHJKYTK-UHFFFAOYSA-N 398.937 3.684 50 40 GHGB CCN(CC)c1ccc(C(=O)N/N=C2/C(=O)N(CC(C)C)c3ccccc32)cc1 102978682 DRYWBYULPOAZCO-DARPEHSRSA-N 392.503 3.670 50 40 GHGB CCCCOC(=O)Nc1ccc(S[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 255189263 OSGAMGZLNOXEFE-ZIAGYGMSSA-N 377.915 3.532 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1Cl 408781584 CNZXZCGMVMHOHP-SXGWCWSVSA-N 399.878 3.966 50 40 GHGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)c(Cl)c2)cc1 408797454 RQRRDYKKSLXKII-MHWRWJLKSA-N 398.846 4.000 50 40 GHGB NC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409384058 YRDILIGSJIFYHR-UFWORHAWSA-N 382.645 3.684 50 40 GHGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCO2 585139608 CJTOGRDQXBTJAF-UOTWJHKMSA-N 391.265 3.780 50 40 GHGB COc1ccc(C(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)=C(N)N2)cc1 4043061 WNTPCRPNQJFXIC-UHFFFAOYSA-N 394.500 3.594 50 40 GHGB aggregator CC[C@H](C)/C(C)=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 4865397 ROUYTPKJYMTPAB-DHPZXVACSA-N 379.507 3.701 50 40 GHGB C[C@H](/C=N/NC(=O)CCCC(=O)N/N=C/[C@@H](C)c1ccccc1)c1ccccc1 5920334 CPLHSRCCROIMLY-ZKYXRZLHSA-N 392.503 3.968 50 40 GHGB COc1ccccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 6248908 KGJYOKFMNSDVLV-UHFFFAOYSA-N 397.258 3.622 50 40 GHGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCO2 7158211 CJTOGRDQXBTJAF-LWAZWVBVSA-N 391.265 3.780 50 40 GHGB C[C@@H]1C[C@H](C[C@@H]2CC[C@@H](NC(=O)CCl)[C@H](C)C2)CC[C@@H]1NC(=O)CCl 254924667 VXWXNPYLHIYPKY-KWRZAIAESA-N 391.383 3.696 50 40 GHGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Br 408789242 KTEDCSWHIBUADM-SDQBBNPISA-N 381.657 3.546 50 40 GHGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 409071289 GLXBQQLHSQPRQR-MHWRWJLKSA-N 393.399 3.886 50 40 GHGB CCOc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC(F)F 1003587 MTLRYKDUSVRTRS-OAHLLOKOSA-N 376.359 3.501 50 40 GHGB Cc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1 8581764 LNOYXMIEHIAIKZ-LJQANCHMSA-N 380.407 3.603 50 40 GHGB C/C(Cc1ccccc1)=N\NC(=O)Cn1c(-c2ccccn2)nc2ccccc21 4814866 RHZGDKMJYRCIMF-YZSQISJMSA-N 383.455 3.833 50 40 GHGB O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(COc2ccccc2)cc1 8267261 CJSRCCXRFODHRN-UHFFFAOYSA-N 397.434 3.889 50 40 GHGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(F)cccc3Cl)[C@@H]2C1 13471521 VITDLNKSYWAGFK-BEFAXECRSA-N 395.869 3.614 50 40 GHGB C/C(=N/NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cc1 13618390 DOPSYUCPYQMHNU-JAIQZWGSSA-N 383.795 3.792 50 40 GHGB Cc1ccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3)c2)cc1 1187620 RUADRVGSISYCBL-MFKUBSTISA-N 387.439 3.776 50 40 GHGB CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@H]1c1cccnc1 25329809 OXPGEJRXDFPKAV-QGZVFWFLSA-N 377.469 3.841 50 40 GHGB NC1=N/C(=N\NC(=O)c2cc(-c3cccs3)nc3ccccc23)c2ccccc21 3372916 RSQFNGYYVMNJTJ-UHFFFAOYSA-N 397.463 3.774 50 40 GHGB O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1cccnc1 10000711 QMBCDTCAYRPWII-XYGWBWBKSA-N 384.439 3.879 50 40 GHGB CC(=O)N/N=C/c1cc(Cl)ccc1OCCOCCOc1ccc(C)cc1 4499588 QFFGCFLYDSJBLO-HYARGMPZSA-N 390.867 3.593 50 40 GHGB N#C/C(=C\c1c[nH]c2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1 5525298 KBTDHZAUEUANTN-SAPNQHFASA-N 396.454 3.649 50 40 GHGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)NC1CCCCC1 408851844 APAIGHVUHAYXBQ-RAXLEYEMSA-N 392.297 3.998 50 40 GHGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1 408966268 LAARHPUJUDAGLM-FOKLQQMPSA-N 392.346 3.938 50 40 GHGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1 408794030 REEGAHZPSHXPIX-NBVRZTHBSA-N 377.444 3.865 50 40 GHGB O=C(COc1ccc(Cl)c2ccccc12)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 13305410 LIAXMCGQEDMCKZ-UFFVCSGVSA-N 399.790 3.636 50 40 GHGB CCN(CC)CCOc1ccc(/C(C#N)=C/c2ccc(OCCO)cc2)cc1 1692256 CGSKOYMFRJAPLC-HEHNFIMWSA-N 380.488 3.842 50 40 GHGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 1437959 WNKKQOUPGJDRQB-QVKFZJNVSA-N 388.423 3.609 50 40 GHGB CCOc1ccc2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(Cl)nc2c1 933845 FHOLTWJFDDUWGI-INIZCTEOSA-N 381.823 3.537 50 40 GHGB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](Br)C(C)C 2319053 OQHSCEFYWYJJRE-CYBMUJFWSA-N 397.269 3.711 50 40 GHGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 7727785 QICBNKSFRCBKBN-UHFFFAOYSA-N 386.498 3.655 50 40 GHGB Cc1cccc(NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 8685146 RLRGTTLJIJLKIF-UHFFFAOYSA-N 384.288 3.698 50 40 GHGB aggregator CC1(C)C(=O)[C@@]2(Br)CC[C@]1(CBr)[C@@H]2Br 103708445 OZJYQWHCUOQKDZ-JMOVZRAMSA-N 388.925 3.668 50 40 GHGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(Br)o1 408998299 ISVFKYNBUTVNMH-UWVJOHFNSA-N 375.144 3.754 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1cc(Cl)ccc1Cl 409244876 JZBVRVKIENBTEM-SDQBBNPISA-N 377.231 3.503 50 40 GHGB O=C(Cc1ccccc1)NNc1ccc(Br)cc1Br 3156329 IPTGWZMPVGVHMZ-UHFFFAOYSA-N 384.071 3.897 50 40 GHGB biogenic COc1ccc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1OC 3262511 SDYUIZQBSDQKJW-OEAKJJBVSA-N 377.444 3.875 50 40 GHGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 5526569 HLRLEHZWBWSMQI-AWQFTUOYSA-N 383.231 3.783 50 40 GHGB N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1ccccc1 9015459 OFXKAMPAVNRASZ-QGZVFWFLSA-N 378.453 3.502 50 40 GHGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC)c(OC)c2)cc1 20764673 SEUDZZGKXRWZIS-CIAFOILYSA-N 376.840 3.910 50 40 GHGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1O 408819364 ROKOLAFZUFHOAE-WDZFZDKYSA-N 391.196 3.848 50 40 GHGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)o1 409233241 DWMSQYFVMFSBNM-UUYOSTAYSA-N 397.362 3.695 50 40 GHGB C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 7993737 WORWNKDSDNVSRU-UDWIEESQSA-N 376.865 3.744 50 40 GHGB O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1 59991722 NUBTVFBOVUFBNY-UHFFFAOYSA-N 388.471 3.993 50 40 GHGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)cc1 3248473 PKOKRLMVDFPMAF-INIZCTEOSA-N 395.459 3.845 50 40 GHGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1O[C@@H](C)C(=O)O 409248028 JPCFIUXBSUTANL-ZCQLHAAUSA-N 394.427 3.710 50 40 GHGB C[C@H]1CCCCC1=NNC(=O)[C@@H](C)Nc1ccc(I)cc1 5739346 RMICOYUSLWBAOI-NWDGAFQWSA-N 399.276 3.774 50 40 GHGB Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)cc1 653681 RPFNFNVUEHJHDU-UONOGXRCSA-N 377.872 3.909 50 40 GHGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O1 706177 YESOQWLKQNRNSH-LJQANCHMSA-N 382.366 3.790 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OC 7894323 OTSXXKKLVJDOSZ-KEBDBYFISA-N 395.228 3.759 50 40 GHGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1OC(=O)c1ccco1 409060750 XLSQDDLCKRLPJL-OEAKJJBVSA-N 392.411 3.509 50 40 GHGB Cc1cc(C)cc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c1 5724851 RTJZKKIYOAISIU-UHFFFAOYSA-N 388.467 3.662 50 40 GHGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 32180679 WERMNBNIOQYHQN-YRNVUSSQSA-N 388.177 3.609 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)o3)c2C)cc1 408590800 QNGZPVRVMWCXEH-WSDLNYQXSA-N 379.416 3.546 50 40 GHGB N#CC(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2209341 OUWIEUMOWZMRMM-UHFFFAOYSA-N 393.200 3.680 50 40 GHGB Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1 3139156 MWCAFGFZRAJFNI-UHFFFAOYSA-N 387.439 3.631 50 40 GHGB N#CC(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1)=C1Nc2ccccc2N1 3279285 HKVVQFPYSRGAHQ-JXMROGBWSA-N 379.803 3.738 50 40 GHGB N#CC(C(=O)COC(=O)c1cc2ccccc2cc1O)=C1Nc2ccccc2N1 6147422 XTENZGLXBLYSSH-UHFFFAOYSA-N 385.379 3.544 50 40 GHGB COc1ccccc1N1CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2C1 6746301 AHWTZRICUPHUHJ-INIZCTEOSA-N 377.469 3.915 50 40 GHGB O=C(NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 59421980 VBFWASWDLMJOAO-UHFFFAOYSA-N 393.830 3.667 50 40 GHGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4953690 HHCMBCNFELBPGJ-MDWZMJQESA-N 385.763 3.719 50 40 GHGB C=CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 8812854 DUKAZFCAELNYAV-UDWIEESQSA-N 389.249 3.786 50 40 GHGB C/C(=N\NC(=O)c1csc2ccccc12)c1ccc(N2CCOCC2)cc1 4619390 AQFNGBJTYQCOKB-PXLXIMEGSA-N 379.485 3.892 50 40 GHGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 409095448 BFDZZYRTNSDLDS-WSDLNYQXSA-N 392.286 3.902 50 40 GHGB O=C(c1cc(Br)cs1)[C@H](Br)CBr 306820866 NIPTWDKZBKLLEO-RXMQYKEDSA-N 376.895 3.852 50 40 GHGB Cc1cccc(NC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)c1C 409188771 GFUIQQNIEJSIBL-UUYOSTAYSA-N 383.448 3.789 50 40 GHGB C[C@]1(C(=O)[C@@H](Br)[C@@H](Br)c2cccc(Cl)c2)CO1 102699643 ZJAADAJXBRJTHI-JBLDHEPKSA-N 382.479 3.898 50 40 GHGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 104683029 ZWBWVKXBJJCCDX-VKAVYKQESA-N 387.468 3.623 50 40 GHGB CC(C)(/N=N\C(C)(C)C(=O)NN=C1CCCCC1)C(=O)NN=C1CCCCC1 104211158 YCBOLFUMOJMSEC-QPLCGJKRSA-N 390.532 3.868 50 40 GHGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)COc1ccccc1Cl 2762972 CQMSBSROXRFAHU-WSDLNYQXSA-N 382.851 3.672 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OC 2805724 IXUNVUXUGUEWBQ-KPKJPENVSA-N 386.791 3.601 50 40 GHGB Cc1cccc(N2C(=O)c3ccc(C(=O)OC(CCl)CCl)cc3C2=O)c1 3216114 QLEWUXVEYFKDKS-UHFFFAOYSA-N 392.238 3.799 50 40 GHGB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCl)c1 3885196 RTOJPLMXQBOMMD-UHFFFAOYSA-N 387.288 3.733 50 40 GHGB CC1(C)CC([C@H](CBr)N2C(=O)c3ccccc3C2=O)CC(C)(C)N1 72434048 PGTOHXGWGSZEIY-HNNXBMFYSA-N 393.325 3.603 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(Br)c1 37020496 YTFQSOQVSZSSOV-ZDLGFXPLSA-N 396.082 3.904 50 40 GHGB Cc1ccc(-c2cc(C(=O)N/N=C\c3cccc(Br)c3)[nH]n2)s1 31830145 CMUUATFRNSMKGD-NVMNQCDNSA-N 389.278 3.973 50 40 GHGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 6248013 DLVVQPBJDBFFSM-LFVJCYFKSA-N 387.439 3.640 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)cc1 209387486 WIVSWVRHLOHVOQ-GDNBJRDFSA-N 382.416 3.657 50 40 GHGB Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)C3CCCCC3)ncnc21 20662096 QOBGCFKRYSSNAL-UHFFFAOYSA-N 384.871 3.801 50 40 GHGB O=C(NNc1cccc(Br)c1)C(O)(c1ccccc1)c1ccccc1 1410604 GNYRNWSOVWFNDE-UHFFFAOYSA-N 397.272 3.828 50 40 GHGB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)NNC(=O)c1ccccc1 4849487 HYUSCXVIARTWII-UHFFFAOYSA-N 393.512 3.967 50 40 GHGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc3ncsc3c2)c1 3399932 DTNBRSXNCMTGNR-UHFFFAOYSA-N 383.473 3.568 50 40 GHGB COc1cc(/C(C)=N\NC(=O)CSc2nc3ccccc3s2)ccc1O 13596971 MYMIZBCEONVVJM-JAIQZWGSSA-N 387.486 3.643 50 40 GHGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1 409258419 UWZRBVTZEUJNCI-BUVRLJJBSA-N 396.487 3.619 50 40 GHGB Cc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 8129436 KPOAXJDSNBARQL-UHFFFAOYSA-N 399.853 3.890 50 40 GHGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Nc2ccc(F)cc2F)c1 17077168 RUWIXEXSGAEPAX-UHFFFAOYSA-N 377.391 3.628 50 40 GHGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21 409363587 MKBXIGJYPVWOKW-BUVRLJJBSA-N 391.471 3.846 50 40 GHGB COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 33793277 UMCNDASHAWNKPD-OCKHKDLRSA-N 382.203 3.603 50 40 GHGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2ccc(Cl)cc2Cl)c1 408866273 GYZODYLOXFVCPJ-AWNIVKPZSA-N 377.227 3.973 50 40 GHGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(N3CCCCC3)o2)cc1 83301685 NXDFGFDIMPBBMP-OGTCDWKQSA-N 399.491 3.633 50 40 GHGB O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)[C@H](O)c1ccccc1 1252012 BPLKXFLBKYXJPZ-AGKWGAAGSA-N 399.244 3.893 50 40 GHGB COC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 2300734 APEJNGILAGMXDN-ONZPZFSWSA-N 378.453 3.594 50 40 GHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1 6363470 OSCDCGLPGWEMIT-BUVRLJJBSA-N 387.439 3.988 50 40 GHGB N#CC1=C(SCC(=O)Nc2cccc(F)c2)NC(=O)C[C@H]1c1ccc(F)cc1 12276775 ANEVWTWMQWVFOK-INIZCTEOSA-N 399.422 3.675 50 40 GHGB COC(=O)c1cccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c1 408973033 XUBXAXIPHBMBOF-NTEUORMPSA-N 385.217 3.781 50 40 GHGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)c1C 409142237 WZHLTMCIWKGLKH-AWEZNQCLSA-N 381.457 3.607 50 40 GHGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cccc(O)c2)cc1OC 409375411 KKRBQNIEHSRZSE-UORWWSPDSA-N 376.840 3.995 50 40 GHGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(Br)cc1 3157247 WSCPIIKPPACVIG-RQZCQDPDSA-N 382.055 3.976 50 40 GHGB CC1(C)[C@]2(C(=O)NCCc3ccccc3)CC[C@@]1(C)C(=O)[C@H]2Br 1829493 NTRRARPDJGNCRG-MDASCCDHSA-N 378.310 3.504 50 40 GHGB Cc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1 107788378 RBOITOGKCWSVME-HYARGMPZSA-N 376.416 3.695 50 40 GHGB COc1ccc(OC)c(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1 59473460 USEATSXLMCYUHK-KEBDBYFISA-N 378.881 3.741 50 40 GHGB N#CC(C(=O)COC(=O)c1sccc1-n1cccc1)=C1Nc2ccccc2N1 12851270 NYPRCIRQONMDHS-UHFFFAOYSA-N 390.424 3.537 50 40 GHGB COC(=O)N1CCC(=NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1 71817219 RNRLJUWPAJVAMC-CQSZACIVSA-N 391.537 3.847 50 40 GHGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1CSc1ccccn1 8632543 LIYPNHMDOXCNRW-FSJBWODESA-N 378.457 3.541 50 40 GHGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCC 408963707 AJXYWRJUCKBTGU-AFUMVMLFSA-N 395.434 3.987 50 40 GHGB CC(=O)N/N=c1/scc(-c2ccccc2)n1-c1ccc(Br)cc1 67321269 ANZHLYDQXDMTEH-LVZFUZTISA-N 388.290 3.920 50 40 GHGB Cc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409249966 KLFIQBPJESYCTG-IWIPYMOSSA-N 387.439 3.776 50 40 GHGB Cc1ccc(NNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1C 1505840552 SMLDHINCKUJFOX-UHFFFAOYSA-N 387.233 3.929 50 40 GHGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1c(O)ccc2ccccc12 637498 NNPCBISFAJMOPY-LSHDLFTRSA-N 378.819 3.919 50 40 GHGB N#CC1=CN(c2ccc(Br)cc2)c2ccc(F)cc2S1(=O)=O 38653744 DVUKCAMQZHFBSW-UHFFFAOYSA-N 379.210 3.879 50 40 GHGB Cc1ccc(N(NC(=O)C(=O)n2ccc3ccccc32)C(=O)c2ccco2)cc1 2375684 JMAIGKCETJUKAS-UHFFFAOYSA-N 387.395 3.561 50 40 GHGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Cl)cc3)C2=O)cc1 1790282 WZBULCCPFFPEEI-IMGOXIFKSA-N 397.887 3.560 50 40 GHGB O=C(NNc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Br 59417525 YVQCIFVYMJSMTL-UHFFFAOYSA-N 393.222 3.724 50 40 GHGB O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1cc(O)cc(O)c1 13321567 DFVVAHCDLNEXAG-FSJBWODESA-N 380.375 3.580 50 40 GHGB O=C(Cc1c(F)cccc1Cl)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5578966 WSUFALNIUURJNV-UHFFFAOYSA-N 378.875 3.776 50 40 GHGB Cc1scc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1-c1ccccc1 17080814 CBYJFGXEHMVWGT-UHFFFAOYSA-N 395.440 3.919 50 40 GHGB C#CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OC)c(OCC)c1 409311866 CDJJNOIEBDQCCJ-XKZIYDEJSA-N 386.835 3.523 50 40 GHGB CCC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C)c1 408718427 XLYUJHJDZIFNTC-RGVLZGJSSA-N 389.249 3.837 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c2ccccc12 33803829 BCMLEMOBIYTTLS-OEAKJJBVSA-N 375.428 3.961 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OC 6350919 RSJACIRNMBPIPK-SRZZPIQSSA-N 392.839 3.528 50 40 GHGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1022612 XSLIRGQBARCKKA-HXUWFJFHSA-N 386.411 3.900 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1O 4827371 DCLDEUGWUCGXID-DJKKODMXSA-N 397.656 3.971 50 40 GHGB O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1nnc(-c2ccccn2)s1 67475031 GVIBHCZPSFSEQR-UHFFFAOYSA-N 396.354 3.647 50 40 GHGB CC(C)c1ccc([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19855891 AISSSNZXCWFHPV-FGZHOGPDSA-N 385.515 3.944 50 40 GHGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 409078801 DCHNEKLXXXLNEP-AUEPDCJTSA-N 397.818 3.891 50 40 GHGB CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(OC(C)C)c1 409162530 WSASXSXITXIXCP-FSJBWODESA-N 398.459 3.683 50 40 GHGB COC(=O)c1cc(C(=O)CBr)ccc1OCc1ccccc1F 85397472 FKSYURGMQCZDBC-UHFFFAOYSA-N 381.197 3.769 50 40 GHGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCCCn1ccnc1 2261889 CVPOFFLDHIWHLY-FOWTUZBSSA-N 380.835 3.910 50 40 GHGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccccc1F 100048474 XJFVGSCJHASXCC-SRZZPIQSSA-N 392.228 3.723 50 40 GHGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1ccc(Br)o1 719667 RSYAWOFWHQVIKL-NCMFSIOGSA-N 385.645 3.922 50 40 GHGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 6338455 ITHPDZAOMSEAEJ-BUVRLJJBSA-N 375.403 3.771 50 40 GHGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)c1O 8555657 NWHGZFZTIAEJJR-OAHLLOKOSA-N 394.456 3.687 50 40 GHGB N#C/C(=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(=O)NC1CC1 16439118 OSFXSRCWVHJDRG-DNGMOHDESA-N 378.272 3.744 50 40 GHGB CCOc1ccccc1/C=N\NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1 30855797 OCHXNILWTCMJSV-XBPUZACXSA-N 382.460 3.673 50 40 GHGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1CC=C 59334840 FYBBOTHDNIQMHE-GDNBJRDFSA-N 375.266 3.738 50 40 GHGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc2c(c1)OCCO2 59473519 KJTVCNGIPMKSDG-CJLVFECKSA-N 384.501 3.848 50 40 GHGB C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1cccc(O)c1 100089908 VTDOJOBZYLGKRO-UFFVCSGVSA-N 380.231 3.834 50 40 GHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(OC)c1 408806379 APJKJBFQUTUMOP-UYRXBGFRSA-N 393.487 3.773 50 40 GHGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2=O)cc1C 409160935 YFDXMKXVPJHEDJ-AFEQLLIESA-N 377.488 3.930 50 40 GHGB C#CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCC=C)c(OC)c1 409328207 ZXRYPBYEFFFTKA-UCQKPKSFSA-N 398.846 3.689 50 40 GHGB CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Cl)cc1 2135936 ONDBQBNKCQCUPD-UHFFFAOYSA-N 389.908 3.587 50 40 GHGB O=C(CCCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3064125 OFKFDTYDHZZONE-FXBPSFAMSA-N 377.227 3.763 50 40 GHGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(F)c(F)c(F)c(F)c1F 4548590 UDDHAEIGVNZGRQ-SECBINFHSA-N 384.304 3.833 50 40 GHGB Cc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 4775399 JXHWBEYRJOURLL-UFWORHAWSA-N 382.203 3.739 50 40 GHGB CCOC(=O)/C(C#N)=C/C=C(C)\C(C)=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17139576 PRFUVCLVVZEPRB-LRIDUYNVSA-N 386.364 3.778 50 40 GHGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 33863174 GTOOUKMLMRCBHE-CIAFOILYSA-N 392.371 3.577 50 40 GHGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)c3ccccc3)=C2C#N)cc1 40486363 BRNXMXQUTBNEQA-QGZVFWFLSA-N 378.453 3.650 50 40 GHGB COC(=O)c1c(-c2ccccc2)noc1C(Br)Br 100065133 SBJHHKWAEKIHQS-UHFFFAOYSA-N 375.016 3.917 50 40 GHGB Cc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 226855752 WGGAPTFIBOWWIL-UHFFFAOYSA-N 393.679 3.579 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(C)=O 408765641 ZDOQCPSRBNUJAM-AWQFTUOYSA-N 381.215 3.691 50 40 GHGB CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 408924901 QKXBVIXTLBEGFK-YBFXNURJSA-N 377.238 3.620 50 40 GHGB Cc1ccc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2Cl)cc1C 13940238 HORXUHFDRNCZJX-FMCGGJTJSA-N 396.878 3.980 50 40 GHGB CC(/C=C/c1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C 4646857 QTHLLAHIELNVIA-MDCPQEPSSA-N 394.431 3.827 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 409358387 FSAMEACKLCPORT-WSDLNYQXSA-N 381.363 3.995 50 40 GHGB COc1cc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc(OC)c1OC 1421555 WSDPYMLCJQPFSJ-AWQFTUOYSA-N 383.231 3.783 50 40 GHGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914816 JEXSKJUZTXPQHC-LSHDLFTRSA-N 396.274 3.866 50 40 GHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)c2ccccc21 100230680 WNFAFUPUXHDCRT-XGKSKHPCSA-N 395.503 3.789 50 40 GHGB COc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1O 5695491 PBSWHNUQVXFUCL-KAQJVSAMSA-N 393.468 3.888 50 40 GHGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc2ccccc2c1 408598502 BRBTXZVGXXFVJT-CIAFOILYSA-N 379.372 3.529 50 40 GHGB COCCNC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccccc3s2)o1 408862625 HYDMLTHQWNWSAJ-ZRDIBKRKSA-N 385.470 3.710 50 40 GHGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 409135404 VEMADLYKAXALJU-GOSISDBHSA-N 385.895 3.723 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1O 43776208 SAKGKAFIRGJKIZ-DJKKODMXSA-N 397.656 3.971 50 40 GHGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1029678 BONMFTFUKDRUEM-CIAFOILYSA-N 379.372 3.692 50 40 GHGB O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1ccc(F)cc1 1054746 QUHJCVXQJXXBLV-DNTJNYDQSA-N 384.636 3.804 50 40 GHGB CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CCl)c2C)c1 1465752 WQYRUVZPSUCCPQ-UHFFFAOYSA-N 391.851 3.869 50 40 GHGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(CC(=O)OCC)cs2)cc1 1912665 OKDBQZXQWUSDIW-XNTDXEJSSA-N 399.472 3.583 50 40 GHGB O=C(CCC(=O)N/N=C/c1cccc(Cl)c1Cl)NCc1ccccc1 4699202 UNPHUUMOTMVKEG-WSDLNYQXSA-N 378.259 3.540 50 40 GHGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(OC)c1 6350071 SAALXWSZEOUTNF-BOPFTXTBSA-N 393.443 3.785 50 40 GHGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccnc3)o2)c(C)c1 409109594 HXQJEAMKKQQZGV-LFIBNONCSA-N 387.395 3.982 50 40 GHGB Cc1ccc(CSCC(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 409339612 XBOGMUMNMUZZLA-UHFFFAOYSA-N 381.545 3.996 50 40 GHGB CN(C(=O)C(=O)NNc1ccc(Cl)cc1Cl)[C@@H]1CCc2ccccc21 58417024 JXOUSDPNZWHJPF-MRXNPFEDSA-N 378.259 3.582 50 40 GHGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1O 106068580 NCCLMCFOYFLBKT-CFGKLSJISA-N 395.297 3.830 50 40 GHGB O=C(N/N=C\c1cc(Br)c(N2CCCC2)o1)Nc1ccc(F)cc1 408821003 BGOLCYCDNIWZOV-GRSHGNNSSA-N 395.232 3.937 50 40 GHGB Cn1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 6756244 GLQBZHPHNZVORJ-PCLIKHOPSA-N 383.451 3.565 50 40 GHGB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CCl)COC(C)(C)C3 8733411 WLERAZUPABZOAS-UHFFFAOYSA-N 382.869 3.502 50 40 GHGB Cc1cc(C)nc(SCC(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)n1 20986295 DEUAFNIDCFHFCB-GAXJMJBXSA-N 395.532 3.599 50 40 GHGB C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1O 408960979 KRLULGQEPWSQGU-SRZZPIQSSA-N 395.371 3.548 50 40 GHGB C[C@@H](Br)[C@@H](Br)[C@H](Br)CBr 95721473 NALIDLUWYFOKFM-UOWFLXDJSA-N 387.735 3.692 50 40 GHGB ICCc1ccc(CCI)cc1 68563209 VIHJZHSVRYXGBW-UHFFFAOYSA-N 386.014 3.642 50 40 GHGB biogenic COc1cc(OC)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 5526548 GGGJLYFJWMDGLX-DJKKODMXSA-N 397.656 3.884 50 40 GHGB CCOC(=O)c1c(N/C(C)=C(\C#N)C(N)=O)sc(C)c1-c1ccc(F)cc1 102887152 YUMGGQUIXDTOPM-GXDHUFHOSA-N 387.436 3.734 50 40 GHGB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cccc(Cl)c1Cl 676111 HDAKXGYGPASQPE-XPAGJJBOSA-N 382.203 3.819 50 40 GHGB O=C(NNc1ccccc1Br)C(O)(c1ccccc1)c1ccccc1 3064659 VTAFDWJQKZFXAU-UHFFFAOYSA-N 397.272 3.828 50 40 GHGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1 59435802 OFOZHCNQJLZLCR-RGVLZGJSSA-N 388.265 3.661 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1O 408734838 KLFBABOOGMYYDB-LFYBBSHMSA-N 387.779 3.817 50 40 GHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1sc(N)c(C#N)c1C 408723837 TVSLRKUIECPKHD-FOKLQQMPSA-N 378.457 3.826 50 40 GHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)c2C)cc1 5740454 YFMCXSQWCQDHLB-YGPNGPECSA-N 389.455 3.693 50 40 GHGB O=C(NCCCl)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 4926921 XQIDQSLXYLZGFS-UHFFFAOYSA-N 388.276 3.501 50 40 GHGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(OCC(C)C)cc2)cc1 5632914 ZWBMHBICPSLZKJ-CFRMEGHHSA-N 392.459 3.884 50 40 GHGB COc1cccc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)c1 20519482 SFPCAIZAOVYCRF-QGZVFWFLSA-N 381.457 3.503 50 40 GHGB CCCCCCCCC(=O)N/N=C(\C)c1cccc(NC(=O)/C=C/C(=O)O)c1 97965600 YDERYTUKJDUPJU-QRCUUJJUSA-N 387.480 3.857 50 40 GHGB C/C(CC(=O)Nc1cccc(Br)c1)=N\NC(=O)c1cccs1 101478033 WMSXHANPNAGYAR-VCHYOVAHSA-N 380.267 3.645 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1Cl 408997976 PJJDFEAXARWSHV-SSDVNMTOSA-N 399.834 3.891 50 40 GHGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccccn1 409229175 KUBAOOVLKDCHQZ-FSJBWODESA-N 382.851 3.672 50 40 GHGB O=C(Cl)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1 5516166 MBOBCYTWOPYMJX-UHFFFAOYSA-N 386.816 3.585 50 40 GHGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccco2)c1 5516975 HVZSSHICYVNEOO-LPYMAVHISA-N 392.371 3.594 50 40 GHGB N#Cc1ccc(OCC(=O)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cc1 33601322 ADBNXVMCMFQURV-HVBJHMBASA-N 397.434 3.981 50 40 GHGB O=C(N/N=C(\CC(=O)c1cccs1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 100477118 PUTKKQPNGYDTGQ-CPNJWEJPSA-N 385.323 3.577 50 40 GHGB O=C(N/N=C\c1ccc(O)cc1)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408728792 UGDCIICKJIMITL-MSXFZWOLSA-N 375.403 3.815 50 40 GHGB Cc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)ccc1N1CCCC1 408858282 YARHYHFJKQPCIZ-RUPIACLMSA-N 396.498 3.803 50 40 GHGB C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Cl 409138193 YRFLXASRRSAQOS-QGZVFWFLSA-N 387.222 3.929 50 40 GHGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1N1CCOCC1 409228957 HQQIDDJPPPWOOJ-AFDUHFSSSA-N 375.472 3.616 50 40 GHGB C#CCn1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c2ccccc21 6943559 XTJRNEKDMMDSMP-DHRITJCHSA-N 383.373 3.986 50 40 GHGB COc1ccc([C@@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1OC 2273755 MZOCENUVCPBOPQ-LJQANCHMSA-N 388.452 3.842 50 40 GHGB CCOC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Br)cc1 9373561 SNSDNLBRCFHEQN-GXDHUFHOSA-N 399.248 3.696 50 40 GHGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1O 4614229 DZRQXQZRRGFVCM-MHWRWJLKSA-N 393.399 3.973 50 40 GHGB O=C(Cc1ccc(Br)cc1)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1 4735328 BITLVTJYZQEXCN-PIGKBBMDSA-N 388.221 3.715 50 40 GHGB CCc1ccc(NC(=O)C/C(C)=N/NC(=O)OCc2ccc(OC)cc2)cc1 4405632 RKKCBMHYHVNUER-HZHRSRAPSA-N 383.448 3.889 50 40 GHGB CCCCOc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 409165110 SOXGRTZITXGIHP-YPFLROGLSA-N 393.487 3.677 50 40 GHGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)o1 409382028 KQLDXJLVAWYZAT-RVDMUPIBSA-N 375.384 3.794 50 40 GHGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408860885 HGPXPCSQUSYCOE-LFYBBSHMSA-N 385.763 3.831 50 40 GHGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c(C)c1 408782399 IECQNWZMIHVLKG-ODLFYWEKSA-N 379.460 3.621 50 40 GHGB COc1ccc(/C=N\NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc1 30765799 MDXWLELNVKWSND-NWXHSJKSSA-N 399.450 3.616 50 40 GHGB Cc1cc(C)c(OCC(=O)n2c(C)c(C(=O)NN)c3ccccc32)c(Cl)c1 216806149 ZHCDCZCFCJRWMX-UHFFFAOYSA-N 385.851 3.543 50 40 GHGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccccc1 5947123 ZCIOPELQNJTCEB-AFUMVMLFSA-N 377.419 3.967 50 40 GHGB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(C)(C)CCl)s1 12892161 AMAKIGBCWCNOBN-UHFFFAOYSA-N 397.953 3.852 50 40 GHGB CCOC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Br)cc1 12377799 SNSDNLBRCFHEQN-UVTDQMKNSA-N 399.248 3.696 50 40 GHGB COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1OCc1ccccc1 3241925 MMKVEMQEZGPZRV-OEAKJJBVSA-N 376.412 3.744 50 40 GHGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 4617010 VASZTJNNPCQPCK-UHFFFAOYSA-N 375.856 3.869 50 40 GHGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NCCc1ccccc1 11288151 SVPJKNJKYZLLDL-XMHGGMMESA-N 386.407 3.911 50 40 GHGB N#C/C(=C/c1cccn1-c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)O)c1 107584666 OYXFGUDDZPTMCI-QINSGFPZSA-N 375.359 3.860 50 40 GHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 408896579 OMHFNGUXICCUJF-KPKJPENVSA-N 387.779 3.811 50 40 GHGB CCOc1cc2c(cc1/C=N\NC(=O)Cc1cccc3ccccc13)OCO2 409095314 HDJWAEJYOVXQSW-QRVIBDJDSA-N 376.412 3.660 50 40 GHGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)NC1CCCC1 409195645 RJUJXIXBGDERHU-JXAWBTAJSA-N 389.455 3.670 50 40 GHGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1ccc(C)cc1 4167593 DKOMLEONOIPBOI-YSLQZMOCSA-N 394.707 3.825 50 40 GHGB Cc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccccc1 5509273 KFHQGPAFDUUZNF-UHFFFAOYSA-N 399.516 3.627 50 40 GHGB CO[C@@H](C(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)c1ccccc1 58961920 NUZNEASEYIJAMJ-MNOULKQQSA-N 382.851 3.672 50 40 GHGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408765676 ZKLKTQFDNVNWMT-CIAFOILYSA-N 379.372 3.936 50 40 GHGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 408790723 RDRAZMKNYJXOAE-OQLLNIDSSA-N 384.819 3.746 50 40 GHGB C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 4652096 HKIVHGLOYHDWGN-ZIAAVIHZSA-N 389.377 3.831 50 40 GHGB CC(C)(C)c1[nH]nc2c1[C@@H](c1cc(Br)cs1)C(C#N)=C(N)O2 4870964 RPTAHLQLZWPMOI-SNVBAGLBSA-N 379.283 3.749 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccs3)c2C)c1 408589540 LSPTYRLNQAGQEK-CIAFOILYSA-N 381.457 3.706 50 40 GHGB N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)NC(N)=O 409225284 KHHPBGCVGCDPCM-WJDWOHSUSA-N 389.386 3.660 50 40 GHGB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(Cl)Cl 95691561 ZNEZKOIBUDGGRI-UHFFFAOYSA-N 378.303 3.751 50 40 GHGB C=CCc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1O 6215666 YEYSXSJHGZRZDD-OEAKJJBVSA-N 379.460 3.607 50 40 GHGB N#C/C(C(=O)CSc1nnc2ccccn12)=C1/Nc2cc(Cl)ccc2S1 104583006 RBLCPOYJUOXDKB-LFIBNONCSA-N 399.888 3.997 50 40 GHGB CCOc1ccc2ccccc2c1/C=N\NC(=O)CNc1ccc2c(c1)OCO2 23410372 XVMGQSZWEJKXTB-MSXFZWOLSA-N 391.427 3.529 50 40 GHGB CCn1c(SCC(=O)N/N=C/C(C)=C\c2ccco2)nnc1-c1ccccc1 4973921 OBVJTZIZWYNKSG-IALJSVHUSA-N 395.488 3.856 50 40 GHGB O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccccc1Br 59435831 FBIYCHJQWAIIOM-CIAFOILYSA-N 396.244 3.691 50 40 GHGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)CCc1ccccc1 100544239 OKTFXBPEALZNEQ-OEAKJJBVSA-N 387.867 3.802 50 40 GHGB COC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O 4205465 TXKXZOPCYYFOHL-JLHYYAGUSA-N 395.802 3.529 50 40 GHGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)OCCO1 5523152 BPCNEUGZTMZBDM-KEBDBYFISA-N 383.231 3.857 50 40 GHGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 408727921 ZIXJGSDODFAMLY-CIAFOILYSA-N 395.371 3.636 50 40 GHGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4953659 PZATYMKARWFPDE-KPKJPENVSA-N 387.779 3.811 50 40 GHGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccccc1O 408995823 FBAUAUWCTMRZAW-MMDZFVNBSA-N 385.423 3.808 50 40 GHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC(C)C)cc1)c1ccccc1 408978751 JTNSDDGZQBOVBH-VRMLFSPKSA-N 397.475 3.801 50 40 GHGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)COc2cccc(Cl)c2)cc1 408953517 QENSEIQSKFLDLO-UCQKPKSFSA-N 396.878 3.726 50 40 GHGB COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1ccc(F)cc1 409019967 LDIMSKZTHHBHRW-AWQFTUOYSA-N 395.228 3.646 50 40 GHGB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253396313 DPTKTERXMIHIGK-HXUWFJFHSA-N 388.471 3.940 50 40 GHGB O=C(CBr)c1ccc(C(F)(F)F)c(I)c1 169796933 SLJLJPDGDKVPPP-UHFFFAOYSA-N 392.940 3.888 50 40 GHGB CC[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1cc(OC)ccc1O 673320 JIXICMMYIPGGAI-WQZUMXOESA-N 377.444 3.895 50 40 GHGB N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408795611 MFQIHUGCNVGOPT-UKTHLTGXSA-N 398.216 3.603 50 40 GHGB COCc1c(CSSCc2cnc(C)c(O)c2COC)cnc(C)c1O 1884636 TVFIPVHZHQTVSI-UHFFFAOYSA-N 396.534 3.879 50 40 GHGB COc1ccc(/C(=C\C(=O)NNc2ccc(Cl)cc2Cl)C(=O)O)cc1 5358443 STSPWYHQSNQFNL-UKTHLTGXSA-N 381.215 3.613 50 40 GHGB Cc1cc(Cl)ccc1OCC(=O)N/N=C(\c1ccccc1)c1ccncc1 5535408 MZXYGYOCLMMQPV-NJNXFGOHSA-N 379.847 3.991 50 40 GHGB O=C1CSc2ccc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc2N1 8720756 WGCBHRZPHKKGHO-UHFFFAOYSA-N 384.848 3.689 50 40 GHGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(Br)cc2)c1C 12843953 ZGZZBWSXKSCZBJ-KEBDBYFISA-N 375.266 3.903 50 40 GHGB CC(C)c1c(C(=O)NNC(=O)Cc2ccccc2)cnn1-c1ccc(Cl)cc1 12948966 UENURCBSFWBMDF-UHFFFAOYSA-N 396.878 3.653 50 40 GHGB CC(C)c1ccc(/C=N\NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 31637065 RCDGMYPJVTWVFH-NQGGHMMCSA-N 378.476 3.534 50 40 GHGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2C)c(C)c1 409108228 SNDKKHPRIQKNRU-ZHZULCJRSA-N 375.472 3.994 50 40 GHGB Cc1ccccc1N1C(=O)[C@@H](Cc2ccccc2Cl)S/C1=C(/C#N)C(N)=O 2194716 HSEXCZWMAYAGHB-LCJWNIEWSA-N 397.887 3.560 50 40 GHGB O=C(CCCl)O/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 3064195 UANKUUQXHZOGJN-FXBPSFAMSA-N 377.227 3.763 50 40 GHGB CC(C)N1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2ccccc21 5690192 KNJPWXMBRBSJSI-ROMGYVFFSA-N 386.455 3.527 50 40 GHGB O=C(NCc1cccc(C(F)(F)F)c1)N/N=C/C1=Cc2ccccc2OC1 78710728 XEINOUBBOAHAET-BHGWPJFGSA-N 375.350 3.966 50 40 GHGB C/C(=N\NC(=O)CCSc1ccc(F)cc1)c1ccc2c(c1)CCC(=O)N2 98042597 PRFSXOHJDIJPQR-YDZHTSKRSA-N 385.464 3.733 50 40 GHGB C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 409137164 VKXIIUYQJVCJOF-MCIONIFRSA-N 389.546 3.609 50 40 GHGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cl 4454771 DSIKQILZCCWOKL-GOSISDBHSA-N 382.847 3.803 50 40 GHGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCC#N)ccc3ccccc23)c1 6627507 DOMZGPHJULUPDS-ZVHZXABRSA-N 389.411 3.523 50 40 GHGB CCCNC(=O)NN(C(=O)NCCC)c1nc(-c2ccc(C)cc2)cs1 3768116 KEEACPRCPBLGRH-UHFFFAOYSA-N 375.498 3.669 50 40 GHGB O=C(NNc1ccc(F)cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 65549642 TVKKONOPWZUHDZ-UHFFFAOYSA-N 377.441 3.691 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Br)c1OC(C)C 6563945 KETHTYPUPCHWLD-AWNIVKPZSA-N 381.270 3.676 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1O 9668324 BUNYQPZONMGZHD-DJKKODMXSA-N 397.656 3.971 50 40 GHGB Cc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 408978582 MXYYURPFVIAMAO-WSDLNYQXSA-N 375.453 3.675 50 40 GHGB C[C@@]1(C(=O)N/N=C/c2ccc(Cl)cc2)CC1(Br)Br 18193218 BWQSATBIMAFSAE-MTTUFYGSSA-N 394.494 3.686 50 40 GHGB CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)cc(Cl)c1O 30838866 UQEKOUYCRVBGFF-FBHDLOMBSA-N 376.840 3.590 50 40 GHGB CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(Cl)c2)cc1OCC 409321097 GPBKYCIGEWIDDP-MTJSOVHGSA-N 376.840 3.910 50 40 GHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 19640258 FUPXWZLQYVTRNN-ZVHZXABRSA-N 388.471 3.800 50 40 GHGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccnc2)nc2ccccc12 5573468 IEXJFWBLWAMGDH-ZMOGYAJESA-N 397.394 3.969 50 40 GHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1 6189154 JWXWQGUDUMLVMK-GXDHUFHOSA-N 377.356 3.980 50 40 GHGB O=C1OC(=O)c2cc(Oc3ccc(-c4nc5ccccc5c(=O)o4)cc3)ccc21 100736183 MQJHLSXNJBLFAE-UHFFFAOYSA-N 385.331 3.958 50 40 GHGB COC(=O)c1c(Br)cc(Br)cc1CBr 1857793580 VEOHYIANXHGNLP-UHFFFAOYSA-N 386.865 3.893 50 40 GHGB Cc1ccc(-n2nc(C)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c2Cl)cc1 808870 VKBWFFOVQANUIK-SFHVURJKSA-N 394.862 3.957 50 40 GHGB COc1ccccc1NC(=O)NNC(=O)CCCOc1ccc(Cl)cc1C 2657906 UFEHJMJYYQAPDL-UHFFFAOYSA-N 391.855 3.669 50 40 GHGB N#C/C(=C/c1ccc(I)o1)C(=O)Nc1ccc(F)cc1 4676981 UQZWPCHGXOXHMH-CLFYSBASSA-N 382.132 3.569 50 40 GHGB O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1 4814119 SWIKZPJDRYFUOI-WSVATBPTSA-N 381.613 3.595 50 40 GHGB Cc1ccc(C(=O)N[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)Cl)cc1 5125432 HSKDIYKOIUGRNB-HNNXBMFYSA-N 385.678 3.938 50 40 GHGB COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 5277027 VLIUFFLNLWKCLC-UFFVCSGVSA-N 376.840 3.503 50 40 GHGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 6327978 JPFHVWMFNCLQLM-ZVHZXABRSA-N 390.439 3.934 50 40 GHGB O=C(COc1ccccc1-c1ccccc1)NNC(=S)Nc1ccccc1F 7555989 PBLFFSGYEHWXBJ-UHFFFAOYSA-N 395.459 3.889 50 40 GHGB COc1cc2ccccc2cc1C(=O)NNC(=O)COc1ccc(Cl)c(C)c1 8395762 GVADNWTZDGJKRX-UHFFFAOYSA-N 398.846 3.650 50 40 GHGB CCC[C@@H](C(=O)NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccccc1 9592842 NKTUIZNUJOOFAR-GDBMZVCRSA-N 396.516 3.828 50 40 GHGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1O 13842656 GSVJXTQONNKTME-UFWORHAWSA-N 397.656 3.889 50 40 GHGB C[C@H]1CCCC/C1=N\NC(=O)CCC(=O)Nc1ccccc1Br 101532102 XOBCLYPJKXSZBA-XGERHETISA-N 380.286 3.850 50 40 GHGB NNC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 226318537 NGVFUHVNJGSWDY-UHFFFAOYSA-N 390.064 3.938 50 40 GHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)=O)c(OC)c2)cc1 408742584 BBPNJCNOACBAIU-WJDWOHSUSA-N 380.400 3.565 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)cc1 6961793 FNLWOZLQHXIVOF-IBUSPFOHSA-N 386.455 3.860 50 40 GHGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(C)c1 20194328 KVIFALVUJCSKKG-YDZHTSKRSA-N 376.412 3.954 50 40 GHGB CC(/C=C/c1ccccc1)=N/NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 15931035 MMDPWNGMXKMMJB-PIIHAJGSSA-N 380.404 3.519 50 40 GHGB Cc1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)c(O)c1 20103149 YWBMPFFSGHNTOH-UKWGHVSLSA-N 391.265 3.609 50 40 GHGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1 1103500 QGQIHLYYVSTBMO-UDWIEESQSA-N 381.413 3.852 50 40 GHGB COc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Cl)c1 3147978 GTMPNTUJHLLPKQ-DJKKODMXSA-N 397.656 3.640 50 40 GHGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)C(C)C 4865439 CZRMOCWWDRNRDS-LTGZKZEYSA-N 387.505 3.866 50 40 GHGB N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1cccc(Cl)c1Cl 5409179 CVWVIPFCRXFKIY-QMMMGPOBSA-N 375.137 3.953 50 40 GHGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1O 12532513 CBPHHFYSRSQBPS-AFUMVMLFSA-N 398.422 3.775 50 40 GHGB N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccc(C(=O)O)cc1 13357007 LBVJLRDKDYZBTL-JXMROGBWSA-N 377.219 3.754 50 40 GHGB N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1cccc(Cl)c1Cl 38704524 NRKCARIQMSKVIB-BENRWUELSA-N 392.242 3.969 50 40 GHGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C 408992657 STFDPLNXRVAQPT-OYKKKHCWSA-N 389.455 3.794 50 40 GHGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCC 409240594 LJNLLFVVDBNBTB-UUYOSTAYSA-N 378.831 3.969 50 40 GHGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(F)cc2)o1 39402885 JUDYFQHQLRSLAB-SRZZPIQSSA-N 383.335 3.523 50 40 GHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 4953651 AQSWAJMYTYHMCQ-KPKJPENVSA-N 387.779 3.811 50 40 GHGB COc1ccccc1O[C@@H](C)C(=O)NNC(=O)Nc1cccc(Cl)c1Cl 17081410 RLCNZQZODOBADA-JTQLQIEISA-N 398.246 3.622 50 40 GHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C(=O)NN)c2ccccc21 216896572 XBXJIBIHIPVCBJ-JTQLQIEISA-N 392.242 3.659 50 40 GHGB C[C@]1(C(=O)[C@H](Br)[C@@H](Br)c2ccc(Cl)cc2)CO1 229592345 UGKLSWVMIVMWFN-HOSYDEDBSA-N 382.479 3.898 50 40 GHGB Cc1ccc(N=P(c2cccn2C)(c2cccn2C)c2cccn2C)cc1 97982950 SUHRQEBZRBSPKY-UHFFFAOYSA-N 376.444 3.820 50 40 GHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1 840377 RDXPQAGCXJDKBS-VIFPVBQESA-N 387.650 3.875 50 40 GHGB Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(Cl)cc2)C1=O 1790275 DMJZOKDNRFSWKS-XUMLYMLNSA-N 397.887 3.560 50 40 GHGB COc1ccc(Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2[N+](=O)[O-])cc1 3335280 HXJMSNBDEAEWQD-WSDLNYQXSA-N 392.371 3.555 50 40 GHGB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12 13749192 JTLHNBSOIUFSSK-HOTJXTCKSA-N 384.480 3.624 50 40 GHGB CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)CC 17078673 AGKHYUCDWCUXEW-SFQUDFHCSA-N 385.441 3.739 50 40 GHGB CC(C)=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 19948694 UZPHTEMLWGXKCT-UHFFFAOYSA-N 387.505 3.517 50 40 GHGB O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1cccc([N+](=O)[O-])c1 26781943 OOCNGMULJQGFJD-UHFFFAOYSA-N 390.443 3.969 50 40 GHGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1cccc2ccccc12 100923005 XYWRQWBYBUXKDD-OEAKJJBVSA-N 390.399 3.883 50 40 GHGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 408600462 ZDOVQSRAAFJBJI-CIAFOILYSA-N 385.420 3.673 50 40 GHGB CC(C)(C)C1=CC(=O)C(P(=O)(c2ccccc2)c2ccccc2)=C(O)C1=O 1421265 PNXGFRBQWQNLPM-UHFFFAOYSA-N 380.380 3.894 50 40 GHGB COc1ccc(Cl)c(NC(=O)C/C(C)=N/NC(=O)CCc2ccccc2)c1 100544252 ZSKROHJOVAEJTJ-OEAKJJBVSA-N 387.867 3.802 50 40 GHGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1c[nH]c3ccccc13)CO2 4523687 VUHUEVQPCUFNQB-AYUJEJKZSA-N 377.444 3.756 50 40 GHGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCCOc1cccc(C)c1 9425754 OGIOTXUZXBDEPP-OQLLNIDSSA-N 386.835 3.507 50 40 GHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2O)c(C#N)c1C 408547488 XUEPAZWYKJDBNX-RIYZIHGNSA-N 380.425 3.529 50 40 GHGB COc1cc(/C(C)=N\NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O 13646430 PJWAWBSGXXNGAF-NHDPSOOVSA-N 384.823 3.598 50 40 GHGB CCOc1ccccc1OCC(=O)N/N=C\c1c(OC)ccc2ccccc12 20100904 JHIBETFLLRLYJQ-UCQKPKSFSA-N 378.428 3.776 50 40 GHGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2258032 REYALCMPGBJDER-GOSISDBHSA-N 393.830 3.670 50 40 GHGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 4658875 LYNAZZNZRFYVTL-UUYOSTAYSA-N 381.819 3.997 50 40 GHGB COc1ccc(C(=O)NNC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 4675795 INDUNHUHJFZXGX-UHFFFAOYSA-N 399.450 3.778 50 40 GHGB COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc1 8278318 GKSJIFIZXKCAOX-LPYMAVHISA-N 387.867 3.916 50 40 GHGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1sc2c(c1C#N)CCCC2 14151848 GSUJNQJMFSLZRJ-NTUHNPAUSA-N 377.425 3.773 50 40 GHGB O=C(CCCC(=O)N/N=C/C=C/c1ccccc1)N/N=C\C=C/c1ccccc1 17419911 NYYGHPIEMYUHCN-FXMLOIHWSA-N 388.471 3.788 50 40 GHGB CN1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 26967655 UYXCGCOHKJDIQC-GXDHUFHOSA-N 390.270 3.934 50 40 GHGB COc1ccc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2c2ccccc2)cc1 33533979 AZKBPNMWXBROEO-ABEUIXMBSA-N 388.423 3.727 50 40 GHGB Nc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 33927702 YLMTWCPKPKVUOJ-CFRMEGHHSA-N 393.830 3.905 50 40 GHGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1 59503015 HABFPVMALCTAPO-UFFVCSGVSA-N 386.542 3.873 50 40 GHGB CN(C)c1oc(-c2ccco2)nc1P(=O)(c1ccccc1)c1ccccc1 102618505 SAAQIJFRUMGTSI-UHFFFAOYSA-N 378.368 3.640 50 40 GHGB COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 408890638 WXUYLMVZTHYILG-BUVRLJJBSA-N 394.858 3.735 50 40 GHGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OC 408947357 CDSBWOHGOHMRBG-PDGQHHTCSA-N 389.455 3.841 50 40 GHGB COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)c1C 408992324 ABRJDWJHVNCNKU-OYKKKHCWSA-N 389.455 3.953 50 40 GHGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Cl)c1O 1434028 FHNOTVRPCOTWTF-UFFVCSGVSA-N 376.840 3.590 50 40 GHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1Cl 4119097 JIXXBYODTAJZGM-ZMOGYAJESA-N 389.842 3.958 50 40 GHGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4C)c32)ccc1O 5490478 YVCDVFBNFIXLOC-GOSISDBHSA-N 388.427 3.626 50 40 GHGB O=C(NNC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)cc1 6506020 OOESSCYFDMDXCL-UHFFFAOYSA-N 388.048 3.831 50 40 GHGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1F 35304279 WXCXGHDZOCGEHL-QRVIBDJDSA-N 394.406 3.834 50 40 GHGB C[C@H](Br)[C@H](Br)[C@H](Br)CBr 95721467 NALIDLUWYFOKFM-LMVFSUKVSA-N 387.735 3.692 50 40 GHGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1C(C)(C)C 409023092 DASKNWARIZLGCB-CFRMEGHHSA-N 378.476 3.937 50 40 GHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)cc1Cl 409064507 PRIIBIMQWMNPQQ-FSJBWODESA-N 382.851 3.915 50 40 GHGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(O)c1 409393500 XVGRWVRHVGEKIT-SRZZPIQSSA-N 395.371 3.641 50 40 GHGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(C)cc(C)cc2nc1Cl 898807 LDKRYSZJDGILOD-KRWDZBQOSA-N 383.835 3.760 50 40 GHGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc2c(c1)OCCO2 4525655 BRWGZPGCEPSLOT-CYGNYLSHSA-N 388.851 3.727 50 40 GHGB N#CC(C(=O)COC(=O)/C=C/c1ccc2ccccc2n1)=C1Nc2ccccc2N1 13128909 LNWXEIXVIAWMSG-VAWYXSNFSA-N 396.406 3.633 50 40 GHGB Cc1cc(C)c(OCC(=O)N/N=C\C=C\c2ccco2)c(Br)c1 20100985 BARLZJVPYMCFPK-IBZABPGMSA-N 377.238 3.853 50 40 GHGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1O 59922110 KXMUNRBVDBQHLA-DJKKODMXSA-N 397.656 3.971 50 40 GHGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc([N+](=O)[O-])c1O 98008674 CMIMZSDFWDEBHU-AWNIVKPZSA-N 377.356 3.889 50 40 GHGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@@H]2[C@@H]1c1ccccc1Cl 221838738 PJQHQIKZSCLDQQ-HLLQZAQXSA-N 381.863 3.973 50 40 GHGB O=C(N/N=C\c1ccccc1O)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408728459 MRZLOGBWWTZUAA-MSXFZWOLSA-N 375.403 3.815 50 40 GHGB COc1cc(Br)c(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OC 3614260 ODVLHSJILIPKDG-MDWZMJQESA-N 393.281 3.822 50 40 GHGB Cc1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)oc2c(Cl)cccc12 14250282 FAHKREUIVDZJEI-UHFFFAOYSA-N 381.819 3.880 50 40 GHGB Cc1cccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)c1 19947944 PHXCALRLVVTELW-UHFFFAOYSA-N 399.516 3.627 50 40 GHGB COc1cc(/C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 96137298 RAOCJHSMGINGGT-CHHVJCJISA-N 385.416 3.802 50 40 GHGB Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3)cc2)c1 408737448 RBNDGXQAAYNUMD-MFKUBSTISA-N 383.407 3.850 50 40 GHGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)n1 408980133 VHFFRPWMIHCAMQ-YBFXNURJSA-N 388.427 3.853 50 40 GHGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1 408987001 NZVYJOHBNIUFLO-GDNBJRDFSA-N 384.819 3.746 50 40 GHGB C[C@@]1(C(=O)[C@@H](Br)[C@H](Br)c2ccc(Cl)cc2)CO1 5534845 UGKLSWVMIVMWFN-SCVCMEIPSA-N 382.479 3.898 50 40 GHGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1 5775993 BCKVVEVXJCHGRC-AFUMVMLFSA-N 385.402 3.837 50 40 GHGB O=C(NNC(=O)c1cc(Cl)ccc1F)c1ccc(COc2ccccc2)o1 7966221 FOIFFQRXVAJCGX-UHFFFAOYSA-N 388.782 3.726 50 40 GHGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1cc2c(s1)CCCCC2 8167135 JBSPCVYUIJDSIZ-UHFFFAOYSA-N 380.872 3.813 50 40 GHGB CCCOc1ccc(/C=N/NC(=O)c2c(C)nc3cc(C)ccn23)cc1OCC 59435408 SAASOWQLFHLLRP-OEAKJJBVSA-N 394.475 3.903 50 40 GHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 408864578 XVZOCTVUEHVILZ-UHFFFAOYSA-N 399.516 3.708 50 40 GHGB Cc1cc(C(=O)N/N=C/c2ccccc2O)c2cc(Br)ccc2n1 1033102 MTVVJOBPGQXHML-KEBDBYFISA-N 384.233 3.775 50 40 GHGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(OC(F)(F)F)cc3)cc2C1 3364855 LDELFKNVFJZXGS-JTQLQIEISA-N 398.406 3.846 50 40 GHGB COc1ccccc1NCC(=O)N/N=C/C=C1/N(C)c2ccccc2C1(C)C 6297711 GQZZZFLONKODKB-ADQJTPLTSA-N 378.476 3.521 50 40 GHGB COCc1c(C(=O)Nc2ccc(SC#N)cc2)nnn1-c1ccc(C)cc1 12274344 OEDXUEJCXNMXBZ-UHFFFAOYSA-N 379.445 3.548 50 40 GHGB CN(c1ccc(C(=O)NN=C2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 20232874 ZVQXUUCDTSXECG-UHFFFAOYSA-N 399.516 3.952 50 40 GHGB COc1ccc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1Br 33667602 TUMJXVCINOCORC-RGVLZGJSSA-N 375.266 3.767 50 40 GHGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCO2 97990524 CJTOGRDQXBTJAF-XNGVPUGWSA-N 391.265 3.780 50 40 GHGB CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 101338265 RSSVHRDUUZCFDP-RCCKNPSSSA-N 385.467 3.588 50 40 GHGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1ccc(C(=O)O)cc1 408544902 YKZIRQJAXHJQCN-XGICHPGQSA-N 389.161 3.825 50 40 GHGB